REMARK FINAL VELOCITIES WRITTEN BY NAMD AT TIMESTEP 500 ATOM 1 H5T CYT A 8 8.382 3.672 -4.906 1.00 0.00 SBOX ATOM 2 O5' CYT A 8 8.657 0.182 -5.302 1.00 0.00 SBOX O ATOM 3 C5' CYT A 8 13.541 2.959 -6.143 1.00 0.00 SBOX C ATOM 4 H5' CYT A 8 20.730 10.402 -25.397 1.00 0.00 SBOX ATOM 5 H5'' CYT A 8 9.713 14.071 0.876 1.00 0.00 SBOX ATOM 6 C4' CYT A 8 -2.279 -7.668 -4.447 1.00 0.00 SBOX C ATOM 7 H4' CYT A 8 11.452 -24.707 -19.935 1.00 0.00 SBOX ATOM 8 O4' CYT A 8 -4.039 -0.608 1.863 1.00 0.00 SBOX O ATOM 9 C1' CYT A 8 3.043 7.115 0.938 1.00 0.00 SBOX C ATOM 10 H1' CYT A 8 -18.780 3.354 -23.478 1.00 0.00 SBOX ATOM 11 N1 CYT A 8 10.855 5.890 0.478 1.00 0.00 SBOX N ATOM 12 C6 CYT A 8 -0.454 -0.680 -2.865 1.00 0.00 SBOX C ATOM 13 H6 CYT A 8 0.286 -10.944 -19.336 1.00 0.00 SBOX ATOM 14 C5 CYT A 8 7.960 1.562 6.913 1.00 0.00 SBOX C ATOM 15 H5 CYT A 8 -7.940 14.062 10.952 1.00 0.00 SBOX ATOM 16 C4 CYT A 8 3.525 -3.624 4.381 1.00 0.00 SBOX C ATOM 17 N4 CYT A 8 -2.851 -2.254 2.887 1.00 0.00 SBOX N ATOM 18 H41 CYT A 8 1.791 -13.700 12.863 1.00 0.00 SBOX ATOM 19 H42 CYT A 8 3.630 17.621 33.469 1.00 0.00 SBOX ATOM 20 N3 CYT A 8 -1.005 0.241 -3.572 1.00 0.00 SBOX N ATOM 21 C2 CYT A 8 -3.933 0.348 -3.009 1.00 0.00 SBOX C ATOM 22 O2 CYT A 8 2.400 -1.500 0.758 1.00 0.00 SBOX O ATOM 23 C3' CYT A 8 0.566 0.513 1.330 1.00 0.00 SBOX C ATOM 24 H3' CYT A 8 -10.065 -0.004 -2.844 1.00 0.00 SBOX ATOM 25 C2' CYT A 8 -0.417 1.186 -4.477 1.00 0.00 SBOX C ATOM 26 H2'' CYT A 8 -0.925 1.630 -5.952 1.00 0.00 SBOX ATOM 27 O2' CYT A 8 3.346 -0.970 -3.431 1.00 0.00 SBOX O ATOM 28 H2' CYT A 8 3.576 9.227 0.691 1.00 0.00 SBOX ATOM 29 O3' CYT A 8 -4.537 -3.094 0.034 1.00 0.00 SBOX O ATOM 30 P ADE A 9 4.424 4.410 1.892 1.00 0.00 SBOX P ATOM 31 O1P ADE A 9 -4.690 -1.415 0.639 1.00 0.00 SBOX ATOM 32 O2P ADE A 9 6.511 5.108 -0.517 1.00 0.00 SBOX ATOM 33 O5' ADE A 9 0.272 3.375 -4.776 1.00 0.00 SBOX O ATOM 34 C5' ADE A 9 -2.777 1.748 -9.845 1.00 0.00 SBOX C ATOM 35 H5' ADE A 9 21.154 9.417 -24.224 1.00 0.00 SBOX ATOM 36 H5'' ADE A 9 20.697 -32.950 6.684 1.00 0.00 SBOX ATOM 37 C4' ADE A 9 -2.520 -0.308 -2.433 1.00 0.00 SBOX C ATOM 38 H4' ADE A 9 21.818 -3.231 15.048 1.00 0.00 SBOX ATOM 39 O4' ADE A 9 7.095 1.261 -1.546 1.00 0.00 SBOX O ATOM 40 C1' ADE A 9 5.667 -1.425 -5.617 1.00 0.00 SBOX C ATOM 41 H1' ADE A 9 9.863 -2.200 -10.031 1.00 0.00 SBOX ATOM 42 N9 ADE A 9 3.206 -2.386 -4.482 1.00 0.00 SBOX N ATOM 43 C8 ADE A 9 -5.003 -2.276 0.216 1.00 0.00 SBOX C ATOM 44 H8 ADE A 9 -15.660 -6.063 20.841 1.00 0.00 SBOX ATOM 45 N7 ADE A 9 -3.260 3.816 5.247 1.00 0.00 SBOX N ATOM 46 C5 ADE A 9 -1.110 -9.611 -5.381 1.00 0.00 SBOX C ATOM 47 C6 ADE A 9 0.785 -7.099 3.507 1.00 0.00 SBOX C ATOM 48 N6 ADE A 9 -3.938 -6.022 0.956 1.00 0.00 SBOX N ATOM 49 H61 ADE A 9 -24.457 -2.701 1.180 1.00 0.00 SBOX ATOM 50 H62 ADE A 9 6.775 16.073 -7.112 1.00 0.00 SBOX ATOM 51 N1 ADE A 9 -0.360 3.054 -2.902 1.00 0.00 SBOX N ATOM 52 C2 ADE A 9 0.609 1.626 6.836 1.00 0.00 SBOX C ATOM 53 H2 ADE A 9 17.779 -16.409 13.352 1.00 0.00 SBOX ATOM 54 N3 ADE A 9 -4.810 -4.400 -0.579 1.00 0.00 SBOX N ATOM 55 C4 ADE A 9 -9.037 -1.947 3.238 1.00 0.00 SBOX C ATOM 56 C3' ADE A 9 -5.575 -0.911 -5.937 1.00 0.00 SBOX C ATOM 57 H3' ADE A 9 5.766 -12.917 -7.165 1.00 0.00 SBOX ATOM 58 C2' ADE A 9 -1.058 11.026 -10.231 1.00 0.00 SBOX C ATOM 59 H2'' ADE A 9 -19.908 1.574 -1.358 1.00 0.00 SBOX ATOM 60 O2' ADE A 9 1.482 -0.184 1.214 1.00 0.00 SBOX O ATOM 61 H2' ADE A 9 4.488 -1.971 1.189 1.00 0.00 SBOX ATOM 62 O3' ADE A 9 -5.869 0.146 4.633 1.00 0.00 SBOX O ATOM 63 P ADE A 10 -2.231 2.148 1.079 1.00 0.00 SBOX P ATOM 64 O1P ADE A 10 0.446 1.439 -3.692 1.00 0.00 SBOX ATOM 65 O2P ADE A 10 2.126 -2.842 0.042 1.00 0.00 SBOX ATOM 66 O5' ADE A 10 -4.200 2.130 4.826 1.00 0.00 SBOX O ATOM 67 C5' ADE A 10 0.852 2.458 -4.486 1.00 0.00 SBOX C ATOM 68 H5' ADE A 10 16.638 -0.523 9.575 1.00 0.00 SBOX ATOM 69 H5'' ADE A 10 20.085 13.686 -3.827 1.00 0.00 SBOX ATOM 70 C4' ADE A 10 -1.262 -5.795 -2.699 1.00 0.00 SBOX C ATOM 71 H4' ADE A 10 -1.817 0.556 -13.713 1.00 0.00 SBOX ATOM 72 O4' ADE A 10 2.384 7.131 0.833 1.00 0.00 SBOX O ATOM 73 C1' ADE A 10 5.633 0.927 3.110 1.00 0.00 SBOX C ATOM 74 H1' ADE A 10 1.733 -9.173 0.156 1.00 0.00 SBOX ATOM 75 N9 ADE A 10 4.341 -0.491 4.795 1.00 0.00 SBOX N ATOM 76 C8 ADE A 10 1.496 1.970 -4.403 1.00 0.00 SBOX C ATOM 77 H8 ADE A 10 0.270 4.280 -7.841 1.00 0.00 SBOX ATOM 78 N7 ADE A 10 -2.435 -5.946 0.416 1.00 0.00 SBOX N ATOM 79 C5 ADE A 10 -1.404 -2.733 -0.694 1.00 0.00 SBOX C ATOM 80 C6 ADE A 10 -1.776 -7.677 -1.159 1.00 0.00 SBOX C ATOM 81 N6 ADE A 10 6.753 7.360 2.262 1.00 0.00 SBOX N ATOM 82 H61 ADE A 10 18.810 9.662 -2.103 1.00 0.00 SBOX ATOM 83 H62 ADE A 10 1.224 13.996 -16.040 1.00 0.00 SBOX ATOM 84 N1 ADE A 10 7.352 -5.536 -4.967 1.00 0.00 SBOX N ATOM 85 C2 ADE A 10 -5.983 0.226 2.311 1.00 0.00 SBOX C ATOM 86 H2 ADE A 10 2.449 8.496 1.554 1.00 0.00 SBOX ATOM 87 N3 ADE A 10 -4.261 -8.424 -1.034 1.00 0.00 SBOX N ATOM 88 C4 ADE A 10 3.569 1.346 -7.074 1.00 0.00 SBOX C ATOM 89 C3' ADE A 10 0.219 -0.942 0.597 1.00 0.00 SBOX C ATOM 90 H3' ADE A 10 -4.092 22.306 -0.835 1.00 0.00 SBOX ATOM 91 C2' ADE A 10 7.749 5.507 5.649 1.00 0.00 SBOX C ATOM 92 H2'' ADE A 10 -3.245 12.490 -9.609 1.00 0.00 SBOX ATOM 93 O2' ADE A 10 -6.663 6.718 -5.620 1.00 0.00 SBOX O ATOM 94 H2' ADE A 10 -18.191 -1.161 -0.821 1.00 0.00 SBOX ATOM 95 O3' ADE A 10 -3.579 -1.236 4.180 1.00 0.00 SBOX O ATOM 96 P GUA A 11 -0.453 -0.363 4.642 1.00 0.00 SBOX P ATOM 97 O1P GUA A 11 6.826 -3.566 -0.654 1.00 0.00 SBOX ATOM 98 O2P GUA A 11 1.927 3.929 -4.509 1.00 0.00 SBOX ATOM 99 O5' GUA A 11 -5.807 0.405 7.615 1.00 0.00 SBOX O ATOM 100 C5' GUA A 11 3.596 1.366 -4.633 1.00 0.00 SBOX C ATOM 101 H5' GUA A 11 10.270 5.775 4.749 1.00 0.00 SBOX ATOM 102 H5'' GUA A 11 4.940 -5.860 -10.272 1.00 0.00 SBOX ATOM 103 C4' GUA A 11 2.348 0.262 -7.732 1.00 0.00 SBOX C ATOM 104 H4' GUA A 11 -0.003 -2.180 5.147 1.00 0.00 SBOX ATOM 105 O4' GUA A 11 -0.160 -5.813 -5.784 1.00 0.00 SBOX O ATOM 106 C1' GUA A 11 7.678 5.169 12.415 1.00 0.00 SBOX C ATOM 107 H1' GUA A 11 24.518 9.952 8.722 1.00 0.00 SBOX ATOM 108 N9 GUA A 11 -1.210 -10.722 -5.660 1.00 0.00 SBOX N ATOM 109 C8 GUA A 11 -2.268 1.334 -4.984 1.00 0.00 SBOX C ATOM 110 H8 GUA A 11 18.249 13.028 -27.785 1.00 0.00 SBOX ATOM 111 N7 GUA A 11 -9.808 1.310 3.274 1.00 0.00 SBOX N ATOM 112 C5 GUA A 11 -5.364 5.305 1.288 1.00 0.00 SBOX C ATOM 113 C6 GUA A 11 3.003 1.498 -3.907 1.00 0.00 SBOX C ATOM 114 O6 GUA A 11 -0.217 1.575 -1.727 1.00 0.00 SBOX O ATOM 115 N1 GUA A 11 2.893 4.152 1.746 1.00 0.00 SBOX N ATOM 116 H1 GUA A 11 -13.028 -33.114 23.530 1.00 0.00 SBOX ATOM 117 C2 GUA A 11 5.214 -4.093 -1.444 1.00 0.00 SBOX C ATOM 118 N2 GUA A 11 3.359 -2.257 -0.342 1.00 0.00 SBOX N ATOM 119 H21 GUA A 11 -16.647 11.566 28.525 1.00 0.00 SBOX ATOM 120 H22 GUA A 11 -14.028 -14.596 16.137 1.00 0.00 SBOX ATOM 121 N3 GUA A 11 -2.735 -5.021 7.833 1.00 0.00 SBOX N ATOM 122 C4 GUA A 11 3.238 2.933 3.149 1.00 0.00 SBOX C ATOM 123 C3' GUA A 11 2.131 1.394 -1.932 1.00 0.00 SBOX C ATOM 124 H3' GUA A 11 -28.252 -21.233 -1.005 1.00 0.00 SBOX ATOM 125 C2' GUA A 11 4.250 2.205 4.776 1.00 0.00 SBOX C ATOM 126 H2'' GUA A 11 5.153 -14.620 -7.931 1.00 0.00 SBOX ATOM 127 O2' GUA A 11 -2.614 0.632 6.176 1.00 0.00 SBOX O ATOM 128 H2' GUA A 11 16.395 -22.724 6.703 1.00 0.00 SBOX ATOM 129 O3' GUA A 11 -4.686 -1.368 -6.138 1.00 0.00 SBOX O ATOM 130 P ADE A 12 -3.797 -0.876 3.481 1.00 0.00 SBOX P ATOM 131 O1P ADE A 12 1.233 -3.151 -1.869 1.00 0.00 SBOX ATOM 132 O2P ADE A 12 -1.443 2.605 7.182 1.00 0.00 SBOX ATOM 133 O5' ADE A 12 -2.725 0.769 5.360 1.00 0.00 SBOX O ATOM 134 C5' ADE A 12 0.082 -8.326 2.023 1.00 0.00 SBOX C ATOM 135 H5' ADE A 12 30.275 -12.194 17.997 1.00 0.00 SBOX ATOM 136 H5'' ADE A 12 10.370 -3.452 -5.776 1.00 0.00 SBOX ATOM 137 C4' ADE A 12 -5.766 1.184 2.181 1.00 0.00 SBOX C ATOM 138 H4' ADE A 12 -11.315 1.212 -20.601 1.00 0.00 SBOX ATOM 139 O4' ADE A 12 3.596 2.521 -12.477 1.00 0.00 SBOX O ATOM 140 C1' ADE A 12 -4.614 2.400 2.534 1.00 0.00 SBOX C ATOM 141 H1' ADE A 12 0.894 -17.694 10.505 1.00 0.00 SBOX ATOM 142 N9 ADE A 12 -6.543 0.965 8.214 1.00 0.00 SBOX N ATOM 143 C8 ADE A 12 -0.263 5.673 1.398 1.00 0.00 SBOX C ATOM 144 H8 ADE A 12 28.611 19.982 -13.069 1.00 0.00 SBOX ATOM 145 N7 ADE A 12 -1.116 0.548 -2.165 1.00 0.00 SBOX N ATOM 146 C5 ADE A 12 1.789 2.073 0.944 1.00 0.00 SBOX C ATOM 147 C6 ADE A 12 2.297 -4.806 -1.076 1.00 0.00 SBOX C ATOM 148 N6 ADE A 12 1.894 -1.344 -3.310 1.00 0.00 SBOX N ATOM 149 H61 ADE A 12 -13.149 2.604 13.778 1.00 0.00 SBOX ATOM 150 H62 ADE A 12 -0.797 0.593 -3.742 1.00 0.00 SBOX ATOM 151 N1 ADE A 12 6.569 -0.967 -0.941 1.00 0.00 SBOX N ATOM 152 C2 ADE A 12 -1.421 -4.260 -0.600 1.00 0.00 SBOX C ATOM 153 H2 ADE A 12 -9.458 -9.745 3.297 1.00 0.00 SBOX ATOM 154 N3 ADE A 12 1.615 -2.732 -1.784 1.00 0.00 SBOX N ATOM 155 C4 ADE A 12 1.494 0.024 -0.008 1.00 0.00 SBOX C ATOM 156 C3' ADE A 12 -1.612 -5.450 5.785 1.00 0.00 SBOX C ATOM 157 H3' ADE A 12 17.477 11.229 -25.944 1.00 0.00 SBOX ATOM 158 C2' ADE A 12 4.271 0.765 4.441 1.00 0.00 SBOX C ATOM 159 H2'' ADE A 12 -10.373 -0.447 -21.408 1.00 0.00 SBOX ATOM 160 O2' ADE A 12 -0.795 1.672 -0.774 1.00 0.00 SBOX O ATOM 161 H2' ADE A 12 3.934 44.534 11.178 1.00 0.00 SBOX ATOM 162 O3' ADE A 12 -0.368 -0.819 -4.363 1.00 0.00 SBOX O ATOM 163 P GUA A 13 2.849 -3.709 2.070 1.00 0.00 SBOX P ATOM 164 O1P GUA A 13 -0.407 7.955 -9.672 1.00 0.00 SBOX ATOM 165 O2P GUA A 13 -3.553 -2.119 7.421 1.00 0.00 SBOX ATOM 166 O5' GUA A 13 -0.806 -6.781 9.060 1.00 0.00 SBOX O ATOM 167 C5' GUA A 13 -5.196 3.973 4.043 1.00 0.00 SBOX C ATOM 168 H5' GUA A 13 4.848 -4.034 -0.107 1.00 0.00 SBOX ATOM 169 H5'' GUA A 13 -7.930 -2.260 -21.922 1.00 0.00 SBOX ATOM 170 C4' GUA A 13 -9.155 -4.423 9.953 1.00 0.00 SBOX C ATOM 171 H4' GUA A 13 -6.258 -2.800 -1.819 1.00 0.00 SBOX ATOM 172 O4' GUA A 13 8.969 -0.834 1.641 1.00 0.00 SBOX O ATOM 173 C1' GUA A 13 0.496 -1.820 -6.175 1.00 0.00 SBOX C ATOM 174 H1' GUA A 13 -3.880 9.273 -35.333 1.00 0.00 SBOX ATOM 175 N9 GUA A 13 9.359 1.483 -2.711 1.00 0.00 SBOX N ATOM 176 C8 GUA A 13 -0.630 2.231 -1.438 1.00 0.00 SBOX C ATOM 177 H8 GUA A 13 -19.429 12.844 26.538 1.00 0.00 SBOX ATOM 178 N7 GUA A 13 -4.014 3.302 -4.124 1.00 0.00 SBOX N ATOM 179 C5 GUA A 13 8.290 0.885 -3.030 1.00 0.00 SBOX C ATOM 180 C6 GUA A 13 4.475 1.670 -3.628 1.00 0.00 SBOX C ATOM 181 O6 GUA A 13 5.142 0.418 2.907 1.00 0.00 SBOX O ATOM 182 N1 GUA A 13 7.442 2.133 10.720 1.00 0.00 SBOX N ATOM 183 H1 GUA A 13 18.224 14.444 -12.913 1.00 0.00 SBOX ATOM 184 C2 GUA A 13 2.268 16.103 -5.510 1.00 0.00 SBOX C ATOM 185 N2 GUA A 13 -2.567 2.249 -5.747 1.00 0.00 SBOX N ATOM 186 H21 GUA A 13 0.036 -6.764 -1.490 1.00 0.00 SBOX ATOM 187 H22 GUA A 13 -0.697 -15.935 -24.587 1.00 0.00 SBOX ATOM 188 N3 GUA A 13 4.879 -2.897 -3.007 1.00 0.00 SBOX N ATOM 189 C4 GUA A 13 -3.636 -1.020 -2.357 1.00 0.00 SBOX C ATOM 190 C3' GUA A 13 0.948 7.528 -1.058 1.00 0.00 SBOX C ATOM 191 H3' GUA A 13 -28.625 -9.829 -29.866 1.00 0.00 SBOX ATOM 192 C2' GUA A 13 -4.757 4.696 3.184 1.00 0.00 SBOX C ATOM 193 H2'' GUA A 13 -1.255 2.605 11.655 1.00 0.00 SBOX ATOM 194 O2' GUA A 13 4.859 -3.883 -0.238 1.00 0.00 SBOX O ATOM 195 H2' GUA A 13 24.262 -21.024 -5.879 1.00 0.00 SBOX ATOM 196 O3' GUA A 13 3.750 3.723 -9.352 1.00 0.00 SBOX O ATOM 197 P ADE A 14 6.859 -3.256 1.666 1.00 0.00 SBOX P ATOM 198 O1P ADE A 14 -0.032 -2.912 1.119 1.00 0.00 SBOX ATOM 199 O2P ADE A 14 -5.116 -0.120 0.428 1.00 0.00 SBOX ATOM 200 O5' ADE A 14 2.850 2.299 -3.665 1.00 0.00 SBOX O ATOM 201 C5' ADE A 14 5.972 -5.327 8.119 1.00 0.00 SBOX C ATOM 202 H5' ADE A 14 -4.806 -9.181 -2.901 1.00 0.00 SBOX ATOM 203 H5'' ADE A 14 -6.681 -14.618 20.238 1.00 0.00 SBOX ATOM 204 C4' ADE A 14 8.803 -4.480 11.302 1.00 0.00 SBOX C ATOM 205 H4' ADE A 14 -3.559 15.687 -3.809 1.00 0.00 SBOX ATOM 206 O4' ADE A 14 -5.452 -1.213 -1.366 1.00 0.00 SBOX O ATOM 207 C1' ADE A 14 -2.855 2.790 0.798 1.00 0.00 SBOX C ATOM 208 H1' ADE A 14 5.563 -5.885 2.638 1.00 0.00 SBOX ATOM 209 N9 ADE A 14 -3.048 0.028 0.555 1.00 0.00 SBOX N ATOM 210 C8 ADE A 14 3.743 7.411 6.912 1.00 0.00 SBOX C ATOM 211 H8 ADE A 14 12.320 -14.463 -11.832 1.00 0.00 SBOX ATOM 212 N7 ADE A 14 -2.316 -5.637 3.011 1.00 0.00 SBOX N ATOM 213 C5 ADE A 14 0.776 -2.031 7.660 1.00 0.00 SBOX C ATOM 214 C6 ADE A 14 -1.159 0.123 -0.698 1.00 0.00 SBOX C ATOM 215 N6 ADE A 14 0.941 3.172 1.359 1.00 0.00 SBOX N ATOM 216 H61 ADE A 14 -3.351 -2.720 8.378 1.00 0.00 SBOX ATOM 217 H62 ADE A 14 -4.701 4.419 6.504 1.00 0.00 SBOX ATOM 218 N1 ADE A 14 -10.238 -1.281 -2.179 1.00 0.00 SBOX N ATOM 219 C2 ADE A 14 8.685 0.579 3.910 1.00 0.00 SBOX C ATOM 220 H2 ADE A 14 -6.247 -25.014 -14.656 1.00 0.00 SBOX ATOM 221 N3 ADE A 14 -6.302 8.489 6.819 1.00 0.00 SBOX N ATOM 222 C4 ADE A 14 0.069 2.523 -0.524 1.00 0.00 SBOX C ATOM 223 C3' ADE A 14 -0.269 -3.857 -7.232 1.00 0.00 SBOX C ATOM 224 H3' ADE A 14 12.586 1.896 8.636 1.00 0.00 SBOX ATOM 225 C2' ADE A 14 1.995 3.462 -6.396 1.00 0.00 SBOX C ATOM 226 H2'' ADE A 14 1.165 -11.974 13.915 1.00 0.00 SBOX ATOM 227 O2' ADE A 14 -2.998 -3.221 -3.324 1.00 0.00 SBOX O ATOM 228 H2' ADE A 14 -4.229 -8.596 3.854 1.00 0.00 SBOX ATOM 229 O3' ADE A 14 -1.214 6.223 3.734 1.00 0.00 SBOX O ATOM 230 P GUA A 15 -2.362 1.625 -1.357 1.00 0.00 SBOX P ATOM 231 O1P GUA A 15 -12.592 -2.020 -2.528 1.00 0.00 SBOX ATOM 232 O2P GUA A 15 3.703 2.146 7.281 1.00 0.00 SBOX ATOM 233 O5' GUA A 15 -3.406 9.899 3.326 1.00 0.00 SBOX O ATOM 234 C5' GUA A 15 3.273 0.279 -6.562 1.00 0.00 SBOX C ATOM 235 H5' GUA A 15 -9.097 2.345 -9.174 1.00 0.00 SBOX ATOM 236 H5'' GUA A 15 -11.091 -4.509 4.983 1.00 0.00 SBOX ATOM 237 C4' GUA A 15 -3.575 4.764 3.303 1.00 0.00 SBOX C ATOM 238 H4' GUA A 15 -12.938 -2.589 4.387 1.00 0.00 SBOX ATOM 239 O4' GUA A 15 1.306 11.689 2.223 1.00 0.00 SBOX O ATOM 240 C1' GUA A 15 -4.506 -5.138 -1.213 1.00 0.00 SBOX C ATOM 241 H1' GUA A 15 5.905 9.141 -6.655 1.00 0.00 SBOX ATOM 242 N9 GUA A 15 -5.270 -7.389 -5.252 1.00 0.00 SBOX N ATOM 243 C8 GUA A 15 0.150 -8.308 -8.071 1.00 0.00 SBOX C ATOM 244 H8 GUA A 15 -5.182 21.746 -22.592 1.00 0.00 SBOX ATOM 245 N7 GUA A 15 -1.226 2.401 4.129 1.00 0.00 SBOX N ATOM 246 C5 GUA A 15 -7.096 -6.325 0.404 1.00 0.00 SBOX C ATOM 247 C6 GUA A 15 2.710 -5.604 -2.864 1.00 0.00 SBOX C ATOM 248 O6 GUA A 15 0.413 2.678 -2.274 1.00 0.00 SBOX O ATOM 249 N1 GUA A 15 -3.560 1.752 -0.217 1.00 0.00 SBOX N ATOM 250 H1 GUA A 15 -6.970 -5.857 6.997 1.00 0.00 SBOX ATOM 251 C2 GUA A 15 -3.145 5.415 1.591 1.00 0.00 SBOX C ATOM 252 N2 GUA A 15 0.177 -0.416 -0.810 1.00 0.00 SBOX N ATOM 253 H21 GUA A 15 -3.514 -21.625 -3.373 1.00 0.00 SBOX ATOM 254 H22 GUA A 15 0.632 -3.736 -11.321 1.00 0.00 SBOX ATOM 255 N3 GUA A 15 5.723 -8.803 1.246 1.00 0.00 SBOX N ATOM 256 C4 GUA A 15 0.417 -4.998 -5.744 1.00 0.00 SBOX C ATOM 257 C3' GUA A 15 -0.195 -9.886 -3.613 1.00 0.00 SBOX C ATOM 258 H3' GUA A 15 -15.417 -19.495 4.436 1.00 0.00 SBOX ATOM 259 C2' GUA A 15 -1.346 11.556 -7.072 1.00 0.00 SBOX C ATOM 260 H2'' GUA A 15 -1.734 17.493 -12.520 1.00 0.00 SBOX ATOM 261 O2' GUA A 15 0.204 -3.956 -3.159 1.00 0.00 SBOX O ATOM 262 H2' GUA A 15 -0.616 -8.093 -1.818 1.00 0.00 SBOX ATOM 263 O3' GUA A 15 3.504 -5.343 6.920 1.00 0.00 SBOX O ATOM 264 P GUA A 16 0.773 2.764 0.110 1.00 0.00 SBOX P ATOM 265 O1P GUA A 16 3.618 1.286 -8.587 1.00 0.00 SBOX ATOM 266 O2P GUA A 16 2.040 2.223 1.087 1.00 0.00 SBOX ATOM 267 O5' GUA A 16 -6.198 3.344 -3.775 1.00 0.00 SBOX O ATOM 268 C5' GUA A 16 -2.100 5.853 2.704 1.00 0.00 SBOX C ATOM 269 H5' GUA A 16 17.798 -7.735 -11.514 1.00 0.00 SBOX ATOM 270 H5'' GUA A 16 -22.707 -18.580 15.652 1.00 0.00 SBOX ATOM 271 C4' GUA A 16 -0.149 5.169 4.171 1.00 0.00 SBOX C ATOM 272 H4' GUA A 16 -24.807 1.205 6.748 1.00 0.00 SBOX ATOM 273 O4' GUA A 16 -6.405 0.557 -4.184 1.00 0.00 SBOX O ATOM 274 C1' GUA A 16 0.726 10.402 -2.599 1.00 0.00 SBOX C ATOM 275 H1' GUA A 16 10.406 -0.561 2.943 1.00 0.00 SBOX ATOM 276 N9 GUA A 16 3.918 -3.584 10.294 1.00 0.00 SBOX N ATOM 277 C8 GUA A 16 2.544 -4.756 0.999 1.00 0.00 SBOX C ATOM 278 H8 GUA A 16 16.937 4.873 -13.707 1.00 0.00 SBOX ATOM 279 N7 GUA A 16 0.248 -3.294 0.250 1.00 0.00 SBOX N ATOM 280 C5 GUA A 16 0.849 -1.815 -1.126 1.00 0.00 SBOX C ATOM 281 C6 GUA A 16 -11.421 -9.512 -5.565 1.00 0.00 SBOX C ATOM 282 O6 GUA A 16 5.137 1.821 -4.105 1.00 0.00 SBOX O ATOM 283 N1 GUA A 16 7.116 0.085 -3.166 1.00 0.00 SBOX N ATOM 284 H1 GUA A 16 -8.686 7.631 13.076 1.00 0.00 SBOX ATOM 285 C2 GUA A 16 1.697 7.650 8.141 1.00 0.00 SBOX C ATOM 286 N2 GUA A 16 -4.739 -1.440 2.623 1.00 0.00 SBOX N ATOM 287 H21 GUA A 16 -12.253 16.683 32.489 1.00 0.00 SBOX ATOM 288 H22 GUA A 16 5.658 -3.789 11.632 1.00 0.00 SBOX ATOM 289 N3 GUA A 16 -5.096 -2.784 -0.329 1.00 0.00 SBOX N ATOM 290 C4 GUA A 16 -4.745 -2.153 4.797 1.00 0.00 SBOX C ATOM 291 C3' GUA A 16 -5.336 10.359 -0.044 1.00 0.00 SBOX C ATOM 292 H3' GUA A 16 31.076 15.222 10.961 1.00 0.00 SBOX ATOM 293 C2' GUA A 16 9.250 -1.901 5.734 1.00 0.00 SBOX C ATOM 294 H2'' GUA A 16 0.885 -18.682 -21.540 1.00 0.00 SBOX ATOM 295 O2' GUA A 16 5.353 -0.150 -6.430 1.00 0.00 SBOX O ATOM 296 H2' GUA A 16 -15.437 -18.537 -3.713 1.00 0.00 SBOX ATOM 297 O3' GUA A 16 5.390 0.380 8.868 1.00 0.00 SBOX O ATOM 298 P URA A 17 1.634 0.006 4.260 1.00 0.00 SBOX P ATOM 299 O1P URA A 17 0.323 -1.063 4.058 1.00 0.00 SBOX ATOM 300 O2P URA A 17 -0.042 1.074 2.468 1.00 0.00 SBOX ATOM 301 O5' URA A 17 -5.330 -2.026 -3.461 1.00 0.00 SBOX O ATOM 302 C5' URA A 17 -2.269 -6.461 -1.341 1.00 0.00 SBOX C ATOM 303 H5' URA A 17 -9.299 -13.935 -3.891 1.00 0.00 SBOX ATOM 304 H5'' URA A 17 5.257 -2.042 11.956 1.00 0.00 SBOX ATOM 305 C4' URA A 17 -0.484 -4.632 0.363 1.00 0.00 SBOX C ATOM 306 H4' URA A 17 7.874 -4.116 -8.784 1.00 0.00 SBOX ATOM 307 O4' URA A 17 2.351 -5.101 8.284 1.00 0.00 SBOX O ATOM 308 C1' URA A 17 6.094 1.165 -3.190 1.00 0.00 SBOX C ATOM 309 H1' URA A 17 3.418 -15.647 -5.935 1.00 0.00 SBOX ATOM 310 N1 URA A 17 -1.079 6.842 -3.065 1.00 0.00 SBOX N ATOM 311 C6 URA A 17 -3.266 3.889 1.933 1.00 0.00 SBOX C ATOM 312 H6 URA A 17 10.802 2.660 -3.453 1.00 0.00 SBOX ATOM 313 C5 URA A 17 -5.787 4.846 1.815 1.00 0.00 SBOX C ATOM 314 H5 URA A 17 2.563 3.568 -4.756 1.00 0.00 SBOX ATOM 315 C4 URA A 17 -5.475 -2.474 -14.579 1.00 0.00 SBOX C ATOM 316 O4 URA A 17 -4.006 13.961 -4.777 1.00 0.00 SBOX O ATOM 317 N3 URA A 17 -1.106 0.377 0.347 1.00 0.00 SBOX N ATOM 318 H3 URA A 17 -13.744 5.187 10.467 1.00 0.00 SBOX ATOM 319 C2 URA A 17 5.905 0.227 -3.538 1.00 0.00 SBOX C ATOM 320 O2 URA A 17 2.224 -7.508 -0.135 1.00 0.00 SBOX O ATOM 321 C3' URA A 17 -6.202 -3.334 -1.777 1.00 0.00 SBOX C ATOM 322 H3' URA A 17 -2.325 -18.746 7.285 1.00 0.00 SBOX ATOM 323 C2' URA A 17 -5.365 0.939 1.588 1.00 0.00 SBOX C ATOM 324 H2'' URA A 17 9.337 7.929 -1.705 1.00 0.00 SBOX ATOM 325 O2' URA A 17 5.932 -3.489 -5.636 1.00 0.00 SBOX O ATOM 326 H2' URA A 17 9.045 -10.661 -22.516 1.00 0.00 SBOX ATOM 327 O3' URA A 17 1.034 1.775 -0.950 1.00 0.00 SBOX O ATOM 328 P GUA A 18 -4.389 -3.000 -3.722 1.00 0.00 SBOX P ATOM 329 O1P GUA A 18 0.297 1.324 8.472 1.00 0.00 SBOX ATOM 330 O2P GUA A 18 -1.251 0.593 4.427 1.00 0.00 SBOX ATOM 331 O5' GUA A 18 -4.113 -0.846 -1.015 1.00 0.00 SBOX O ATOM 332 C5' GUA A 18 -7.902 1.024 -3.533 1.00 0.00 SBOX C ATOM 333 H5' GUA A 18 5.427 4.490 -3.837 1.00 0.00 SBOX ATOM 334 H5'' GUA A 18 -11.362 16.510 -1.420 1.00 0.00 SBOX ATOM 335 C4' GUA A 18 -5.720 -1.783 -8.041 1.00 0.00 SBOX C ATOM 336 H4' GUA A 18 2.611 -28.876 -20.552 1.00 0.00 SBOX ATOM 337 O4' GUA A 18 -1.476 1.777 -8.053 1.00 0.00 SBOX O ATOM 338 C1' GUA A 18 4.182 -1.829 2.914 1.00 0.00 SBOX C ATOM 339 H1' GUA A 18 -3.426 -3.085 0.142 1.00 0.00 SBOX ATOM 340 N9 GUA A 18 -8.937 3.568 0.979 1.00 0.00 SBOX N ATOM 341 C8 GUA A 18 4.869 2.426 -9.139 1.00 0.00 SBOX C ATOM 342 H8 GUA A 18 27.257 -8.375 3.667 1.00 0.00 SBOX ATOM 343 N7 GUA A 18 3.313 -2.313 1.484 1.00 0.00 SBOX N ATOM 344 C5 GUA A 18 0.909 -6.390 4.554 1.00 0.00 SBOX C ATOM 345 C6 GUA A 18 -3.963 -4.817 5.835 1.00 0.00 SBOX C ATOM 346 O6 GUA A 18 1.608 -4.014 4.452 1.00 0.00 SBOX O ATOM 347 N1 GUA A 18 6.925 -4.648 -0.990 1.00 0.00 SBOX N ATOM 348 H1 GUA A 18 -10.640 -3.057 30.092 1.00 0.00 SBOX ATOM 349 C2 GUA A 18 10.532 -2.479 -0.562 1.00 0.00 SBOX C ATOM 350 N2 GUA A 18 -0.287 -1.529 2.969 1.00 0.00 SBOX N ATOM 351 H21 GUA A 18 -5.370 7.407 -0.443 1.00 0.00 SBOX ATOM 352 H22 GUA A 18 -0.894 -10.830 -2.484 1.00 0.00 SBOX ATOM 353 N3 GUA A 18 -1.731 -4.178 -1.585 1.00 0.00 SBOX N ATOM 354 C4 GUA A 18 6.684 10.198 -3.227 1.00 0.00 SBOX C ATOM 355 C3' GUA A 18 -8.680 0.025 -0.127 1.00 0.00 SBOX C ATOM 356 H3' GUA A 18 26.427 7.156 -17.167 1.00 0.00 SBOX ATOM 357 C2' GUA A 18 -4.100 2.161 3.254 1.00 0.00 SBOX C ATOM 358 H2'' GUA A 18 27.739 12.338 -16.359 1.00 0.00 SBOX ATOM 359 O2' GUA A 18 -0.881 1.566 4.972 1.00 0.00 SBOX O ATOM 360 H2' GUA A 18 -8.272 -4.150 1.452 1.00 0.00 SBOX ATOM 361 O3' GUA A 18 2.349 -0.972 -5.890 1.00 0.00 SBOX O ATOM 362 P GUA A 19 -2.305 -0.134 -0.658 1.00 0.00 SBOX P ATOM 363 O1P GUA A 19 -1.460 -2.593 1.730 1.00 0.00 SBOX ATOM 364 O2P GUA A 19 1.029 1.515 -2.321 1.00 0.00 SBOX ATOM 365 O5' GUA A 19 -2.298 4.663 -5.949 1.00 0.00 SBOX O ATOM 366 C5' GUA A 19 3.152 -2.277 -0.251 1.00 0.00 SBOX C ATOM 367 H5' GUA A 19 6.281 9.636 2.549 1.00 0.00 SBOX ATOM 368 H5'' GUA A 19 6.919 -8.373 -3.021 1.00 0.00 SBOX ATOM 369 C4' GUA A 19 -3.582 2.539 -8.196 1.00 0.00 SBOX C ATOM 370 H4' GUA A 19 10.000 6.358 -14.386 1.00 0.00 SBOX ATOM 371 O4' GUA A 19 7.227 -4.852 -1.023 1.00 0.00 SBOX O ATOM 372 C1' GUA A 19 -4.957 -2.419 3.369 1.00 0.00 SBOX C ATOM 373 H1' GUA A 19 30.006 -3.816 24.167 1.00 0.00 SBOX ATOM 374 N9 GUA A 19 -4.087 -4.686 -1.936 1.00 0.00 SBOX N ATOM 375 C8 GUA A 19 0.423 -3.608 -1.514 1.00 0.00 SBOX C ATOM 376 H8 GUA A 19 -20.969 38.599 -6.085 1.00 0.00 SBOX ATOM 377 N7 GUA A 19 -4.512 -1.669 -6.526 1.00 0.00 SBOX N ATOM 378 C5 GUA A 19 -2.747 8.595 -7.404 1.00 0.00 SBOX C ATOM 379 C6 GUA A 19 4.804 -8.249 4.666 1.00 0.00 SBOX C ATOM 380 O6 GUA A 19 -3.443 -0.405 -0.783 1.00 0.00 SBOX O ATOM 381 N1 GUA A 19 4.277 -2.591 0.924 1.00 0.00 SBOX N ATOM 382 H1 GUA A 19 -3.216 18.293 -1.464 1.00 0.00 SBOX ATOM 383 C2 GUA A 19 -7.547 6.189 -3.153 1.00 0.00 SBOX C ATOM 384 N2 GUA A 19 2.991 6.631 -3.429 1.00 0.00 SBOX N ATOM 385 H21 GUA A 19 10.775 -1.924 -22.269 1.00 0.00 SBOX ATOM 386 H22 GUA A 19 -29.285 -13.627 -8.584 1.00 0.00 SBOX ATOM 387 N3 GUA A 19 3.527 6.355 0.293 1.00 0.00 SBOX N ATOM 388 C4 GUA A 19 -4.170 8.302 -5.070 1.00 0.00 SBOX C ATOM 389 C3' GUA A 19 -6.204 0.470 -7.461 1.00 0.00 SBOX C ATOM 390 H3' GUA A 19 -21.168 3.706 -2.554 1.00 0.00 SBOX ATOM 391 C2' GUA A 19 -3.303 0.500 5.891 1.00 0.00 SBOX C ATOM 392 H2'' GUA A 19 3.416 14.144 -4.132 1.00 0.00 SBOX ATOM 393 O2' GUA A 19 -0.214 -2.788 2.640 1.00 0.00 SBOX O ATOM 394 H2' GUA A 19 -26.640 -28.157 15.875 1.00 0.00 SBOX ATOM 395 O3' GUA A 19 4.890 -4.252 -3.122 1.00 0.00 SBOX O ATOM 396 P ADE A 20 1.315 -2.669 -0.618 1.00 0.00 SBOX P ATOM 397 O1P ADE A 20 -2.546 7.709 -4.492 1.00 0.00 SBOX ATOM 398 O2P ADE A 20 9.300 -0.023 1.979 1.00 0.00 SBOX ATOM 399 O5' ADE A 20 -6.795 3.246 2.182 1.00 0.00 SBOX O ATOM 400 C5' ADE A 20 -2.167 -2.826 6.712 1.00 0.00 SBOX C ATOM 401 H5' ADE A 20 -9.332 -24.654 23.345 1.00 0.00 SBOX ATOM 402 H5'' ADE A 20 -4.199 -2.870 -7.083 1.00 0.00 SBOX ATOM 403 C4' ADE A 20 0.172 -4.966 0.263 1.00 0.00 SBOX C ATOM 404 H4' ADE A 20 9.257 31.360 14.037 1.00 0.00 SBOX ATOM 405 O4' ADE A 20 -4.471 4.627 0.742 1.00 0.00 SBOX O ATOM 406 C1' ADE A 20 -0.017 2.269 -6.554 1.00 0.00 SBOX C ATOM 407 H1' ADE A 20 5.773 10.307 0.739 1.00 0.00 SBOX ATOM 408 N9 ADE A 20 -3.406 -7.029 4.680 1.00 0.00 SBOX N ATOM 409 C8 ADE A 20 3.871 3.532 -9.405 1.00 0.00 SBOX C ATOM 410 H8 ADE A 20 -13.167 29.385 8.094 1.00 0.00 SBOX ATOM 411 N7 ADE A 20 1.658 -2.940 5.586 1.00 0.00 SBOX N ATOM 412 C5 ADE A 20 2.744 5.648 -2.114 1.00 0.00 SBOX C ATOM 413 C6 ADE A 20 2.637 2.594 3.480 1.00 0.00 SBOX C ATOM 414 N6 ADE A 20 0.957 0.434 -2.241 1.00 0.00 SBOX N ATOM 415 H61 ADE A 20 -2.559 9.180 5.505 1.00 0.00 SBOX ATOM 416 H62 ADE A 20 -20.164 -1.811 -16.365 1.00 0.00 SBOX ATOM 417 N1 ADE A 20 -3.952 -4.561 0.430 1.00 0.00 SBOX N ATOM 418 C2 ADE A 20 3.248 3.237 -3.963 1.00 0.00 SBOX C ATOM 419 H2 ADE A 20 11.496 1.882 1.501 1.00 0.00 SBOX ATOM 420 N3 ADE A 20 -6.406 -4.849 1.371 1.00 0.00 SBOX N ATOM 421 C4 ADE A 20 -0.774 1.539 0.416 1.00 0.00 SBOX C ATOM 422 C3' ADE A 20 1.226 6.376 11.963 1.00 0.00 SBOX C ATOM 423 H3' ADE A 20 -8.004 14.196 14.024 1.00 0.00 SBOX ATOM 424 C2' ADE A 20 3.696 -0.276 0.924 1.00 0.00 SBOX C ATOM 425 H2'' ADE A 20 -1.174 4.601 3.340 1.00 0.00 SBOX ATOM 426 O2' ADE A 20 -3.886 0.472 0.237 1.00 0.00 SBOX O ATOM 427 H2' ADE A 20 9.500 7.610 -4.572 1.00 0.00 SBOX ATOM 428 O3' ADE A 20 -3.075 3.072 -1.575 1.00 0.00 SBOX O ATOM 429 P GUA A 21 -6.838 -1.444 8.810 1.00 0.00 SBOX P ATOM 430 O1P GUA A 21 7.802 -0.905 -1.826 1.00 0.00 SBOX ATOM 431 O2P GUA A 21 -8.271 -4.828 1.241 1.00 0.00 SBOX ATOM 432 O5' GUA A 21 -5.212 1.613 -0.985 1.00 0.00 SBOX O ATOM 433 C5' GUA A 21 -4.516 5.609 1.649 1.00 0.00 SBOX C ATOM 434 H5' GUA A 21 -10.349 -5.022 6.440 1.00 0.00 SBOX ATOM 435 H5'' GUA A 21 24.247 5.580 -5.511 1.00 0.00 SBOX ATOM 436 C4' GUA A 21 -1.458 2.933 -0.267 1.00 0.00 SBOX C ATOM 437 H4' GUA A 21 19.763 6.163 -5.425 1.00 0.00 SBOX ATOM 438 O4' GUA A 21 -1.601 -0.297 6.976 1.00 0.00 SBOX O ATOM 439 C1' GUA A 21 -13.596 1.793 5.290 1.00 0.00 SBOX C ATOM 440 H1' GUA A 21 9.311 25.016 -18.802 1.00 0.00 SBOX ATOM 441 N9 GUA A 21 1.930 -1.983 3.978 1.00 0.00 SBOX N ATOM 442 C8 GUA A 21 2.395 4.542 -4.204 1.00 0.00 SBOX C ATOM 443 H8 GUA A 21 1.166 8.549 6.698 1.00 0.00 SBOX ATOM 444 N7 GUA A 21 0.684 1.488 3.204 1.00 0.00 SBOX N ATOM 445 C5 GUA A 21 9.878 -4.988 5.179 1.00 0.00 SBOX C ATOM 446 C6 GUA A 21 3.106 -3.388 -4.664 1.00 0.00 SBOX C ATOM 447 O6 GUA A 21 -5.136 1.354 3.832 1.00 0.00 SBOX O ATOM 448 N1 GUA A 21 -3.194 -7.112 -5.256 1.00 0.00 SBOX N ATOM 449 H1 GUA A 21 -8.507 3.293 12.066 1.00 0.00 SBOX ATOM 450 C2 GUA A 21 -2.400 6.284 0.110 1.00 0.00 SBOX C ATOM 451 N2 GUA A 21 -0.908 2.298 -0.845 1.00 0.00 SBOX N ATOM 452 H21 GUA A 21 -4.017 9.022 -13.169 1.00 0.00 SBOX ATOM 453 H22 GUA A 21 8.721 0.324 6.392 1.00 0.00 SBOX ATOM 454 N3 GUA A 21 0.672 4.354 2.707 1.00 0.00 SBOX N ATOM 455 C4 GUA A 21 -2.915 3.423 -1.928 1.00 0.00 SBOX C ATOM 456 C3' GUA A 21 7.208 5.233 4.690 1.00 0.00 SBOX C ATOM 457 H3' GUA A 21 -3.692 4.449 -1.088 1.00 0.00 SBOX ATOM 458 C2' GUA A 21 1.764 -6.829 0.886 1.00 0.00 SBOX C ATOM 459 H2'' GUA A 21 -16.902 4.853 -12.976 1.00 0.00 SBOX ATOM 460 O2' GUA A 21 -0.727 0.608 -7.256 1.00 0.00 SBOX O ATOM 461 H2' GUA A 21 -5.520 -4.403 25.772 1.00 0.00 SBOX ATOM 462 O3' GUA A 21 1.146 -1.892 0.433 1.00 0.00 SBOX O ATOM 463 P GUA A 22 -6.153 2.657 -5.188 1.00 0.00 SBOX P ATOM 464 O1P GUA A 22 -3.440 -1.811 -0.519 1.00 0.00 SBOX ATOM 465 O2P GUA A 22 -1.008 -5.001 0.320 1.00 0.00 SBOX ATOM 466 O5' GUA A 22 3.109 -1.468 0.989 1.00 0.00 SBOX O ATOM 467 C5' GUA A 22 -0.967 2.194 -1.673 1.00 0.00 SBOX C ATOM 468 H5' GUA A 22 3.876 -1.259 -17.001 1.00 0.00 SBOX ATOM 469 H5'' GUA A 22 -11.630 -18.631 -6.415 1.00 0.00 SBOX ATOM 470 C4' GUA A 22 0.656 -0.217 1.393 1.00 0.00 SBOX C ATOM 471 H4' GUA A 22 16.499 11.701 0.600 1.00 0.00 SBOX ATOM 472 O4' GUA A 22 -3.521 -4.344 2.601 1.00 0.00 SBOX O ATOM 473 C1' GUA A 22 -7.800 3.930 4.088 1.00 0.00 SBOX C ATOM 474 H1' GUA A 22 -7.908 13.713 14.125 1.00 0.00 SBOX ATOM 475 N9 GUA A 22 -1.842 1.907 2.012 1.00 0.00 SBOX N ATOM 476 C8 GUA A 22 -3.974 -3.964 2.194 1.00 0.00 SBOX C ATOM 477 H8 GUA A 22 -18.428 31.710 -18.120 1.00 0.00 SBOX ATOM 478 N7 GUA A 22 7.288 6.264 1.047 1.00 0.00 SBOX N ATOM 479 C5 GUA A 22 -0.150 -3.361 1.803 1.00 0.00 SBOX C ATOM 480 C6 GUA A 22 3.264 -0.175 -2.329 1.00 0.00 SBOX C ATOM 481 O6 GUA A 22 0.499 2.666 -4.570 1.00 0.00 SBOX O ATOM 482 N1 GUA A 22 0.412 0.720 4.219 1.00 0.00 SBOX N ATOM 483 H1 GUA A 22 9.344 -20.761 24.601 1.00 0.00 SBOX ATOM 484 C2 GUA A 22 -6.489 3.625 -2.392 1.00 0.00 SBOX C ATOM 485 N2 GUA A 22 -1.628 -0.585 6.750 1.00 0.00 SBOX N ATOM 486 H21 GUA A 22 14.210 0.404 -20.576 1.00 0.00 SBOX ATOM 487 H22 GUA A 22 -19.396 -18.796 14.411 1.00 0.00 SBOX ATOM 488 N3 GUA A 22 0.619 2.128 7.707 1.00 0.00 SBOX N ATOM 489 C4 GUA A 22 3.372 3.799 -5.107 1.00 0.00 SBOX C ATOM 490 C3' GUA A 22 3.180 2.184 -2.901 1.00 0.00 SBOX C ATOM 491 H3' GUA A 22 13.965 19.381 -21.100 1.00 0.00 SBOX ATOM 492 C2' GUA A 22 0.007 9.595 -0.042 1.00 0.00 SBOX C ATOM 493 H2'' GUA A 22 -14.417 15.203 -4.764 1.00 0.00 SBOX ATOM 494 O2' GUA A 22 -3.096 4.531 4.797 1.00 0.00 SBOX O ATOM 495 H2' GUA A 22 11.824 -17.183 8.850 1.00 0.00 SBOX ATOM 496 O3' GUA A 22 -3.642 -0.825 -1.239 1.00 0.00 SBOX O ATOM 497 P GUA A 23 0.064 1.780 0.119 1.00 0.00 SBOX P ATOM 498 O1P GUA A 23 7.419 2.501 4.421 1.00 0.00 SBOX ATOM 499 O2P GUA A 23 1.922 -2.805 -13.127 1.00 0.00 SBOX ATOM 500 O5' GUA A 23 4.504 2.460 -1.559 1.00 0.00 SBOX O ATOM 501 C5' GUA A 23 -1.540 -0.212 0.789 1.00 0.00 SBOX C ATOM 502 H5' GUA A 23 -15.303 -5.807 -6.298 1.00 0.00 SBOX ATOM 503 H5'' GUA A 23 -0.400 0.399 0.724 1.00 0.00 SBOX ATOM 504 C4' GUA A 23 -9.776 0.375 -5.342 1.00 0.00 SBOX C ATOM 505 H4' GUA A 23 -5.939 6.993 -7.039 1.00 0.00 SBOX ATOM 506 O4' GUA A 23 0.624 -1.888 -2.432 1.00 0.00 SBOX O ATOM 507 C1' GUA A 23 -1.879 2.989 8.284 1.00 0.00 SBOX C ATOM 508 H1' GUA A 23 -4.154 -17.645 3.254 1.00 0.00 SBOX ATOM 509 N9 GUA A 23 4.030 -0.304 -4.249 1.00 0.00 SBOX N ATOM 510 C8 GUA A 23 -3.849 2.158 4.991 1.00 0.00 SBOX C ATOM 511 H8 GUA A 23 0.430 6.197 -3.035 1.00 0.00 SBOX ATOM 512 N7 GUA A 23 -2.107 4.845 -0.451 1.00 0.00 SBOX N ATOM 513 C5 GUA A 23 9.727 -7.605 -7.129 1.00 0.00 SBOX C ATOM 514 C6 GUA A 23 0.492 5.767 -1.087 1.00 0.00 SBOX C ATOM 515 O6 GUA A 23 -3.551 -1.178 0.408 1.00 0.00 SBOX O ATOM 516 N1 GUA A 23 3.013 4.525 1.597 1.00 0.00 SBOX N ATOM 517 H1 GUA A 23 2.847 1.774 6.459 1.00 0.00 SBOX ATOM 518 C2 GUA A 23 1.959 -7.157 1.922 1.00 0.00 SBOX C ATOM 519 N2 GUA A 23 -0.598 -5.856 7.577 1.00 0.00 SBOX N ATOM 520 H21 GUA A 23 30.702 20.358 -13.417 1.00 0.00 SBOX ATOM 521 H22 GUA A 23 5.952 12.582 1.254 1.00 0.00 SBOX ATOM 522 N3 GUA A 23 -8.569 1.214 8.678 1.00 0.00 SBOX N ATOM 523 C4 GUA A 23 -4.467 7.582 -5.320 1.00 0.00 SBOX C ATOM 524 C3' GUA A 23 5.169 0.844 -3.362 1.00 0.00 SBOX C ATOM 525 H3' GUA A 23 1.957 -26.697 25.621 1.00 0.00 SBOX ATOM 526 C2' GUA A 23 -0.552 5.360 1.014 1.00 0.00 SBOX C ATOM 527 H2'' GUA A 23 -0.453 6.836 -5.824 1.00 0.00 SBOX ATOM 528 O2' GUA A 23 -0.704 3.485 1.036 1.00 0.00 SBOX O ATOM 529 H2' GUA A 23 -1.280 -5.420 -0.859 1.00 0.00 SBOX ATOM 530 O3' GUA A 23 3.280 8.469 -1.086 1.00 0.00 SBOX O ATOM 531 P ADE A 24 -1.249 -0.904 2.485 1.00 0.00 SBOX P ATOM 532 O1P ADE A 24 -0.178 4.229 -3.150 1.00 0.00 SBOX ATOM 533 O2P ADE A 24 -5.246 -0.456 2.202 1.00 0.00 SBOX ATOM 534 O5' ADE A 24 6.406 1.614 0.259 1.00 0.00 SBOX O ATOM 535 C5' ADE A 24 1.802 -3.302 0.530 1.00 0.00 SBOX C ATOM 536 H5' ADE A 24 6.776 -2.615 3.557 1.00 0.00 SBOX ATOM 537 H5'' ADE A 24 13.430 -7.200 2.949 1.00 0.00 SBOX ATOM 538 C4' ADE A 24 -4.433 -4.397 2.135 1.00 0.00 SBOX C ATOM 539 H4' ADE A 24 -14.794 3.644 13.305 1.00 0.00 SBOX ATOM 540 O4' ADE A 24 0.303 -5.165 -1.879 1.00 0.00 SBOX O ATOM 541 C1' ADE A 24 2.471 -1.536 -5.740 1.00 0.00 SBOX C ATOM 542 H1' ADE A 24 -16.360 -13.897 2.871 1.00 0.00 SBOX ATOM 543 N9 ADE A 24 -10.692 -1.592 2.926 1.00 0.00 SBOX N ATOM 544 C8 ADE A 24 1.567 -0.618 -3.707 1.00 0.00 SBOX C ATOM 545 H8 ADE A 24 -19.733 -6.751 5.575 1.00 0.00 SBOX ATOM 546 N7 ADE A 24 9.418 -2.954 -2.357 1.00 0.00 SBOX N ATOM 547 C5 ADE A 24 1.488 -1.275 -7.461 1.00 0.00 SBOX C ATOM 548 C6 ADE A 24 -0.240 0.688 5.183 1.00 0.00 SBOX C ATOM 549 N6 ADE A 24 1.603 -0.531 5.805 1.00 0.00 SBOX N ATOM 550 H61 ADE A 24 10.327 1.197 4.513 1.00 0.00 SBOX ATOM 551 H62 ADE A 24 3.066 7.330 -44.538 1.00 0.00 SBOX ATOM 552 N1 ADE A 24 -0.578 -3.561 -13.540 1.00 0.00 SBOX N ATOM 553 C2 ADE A 24 7.931 -1.785 4.513 1.00 0.00 SBOX C ATOM 554 H2 ADE A 24 16.108 9.661 0.520 1.00 0.00 SBOX ATOM 555 N3 ADE A 24 1.694 -3.377 -3.187 1.00 0.00 SBOX N ATOM 556 C4 ADE A 24 -1.531 -8.964 -4.723 1.00 0.00 SBOX C ATOM 557 C3' ADE A 24 2.184 -0.089 -1.840 1.00 0.00 SBOX C ATOM 558 H3' ADE A 24 3.074 20.309 -21.652 1.00 0.00 SBOX ATOM 559 C2' ADE A 24 3.254 -4.921 -0.263 1.00 0.00 SBOX C ATOM 560 H2'' ADE A 24 -8.068 -6.417 0.999 1.00 0.00 SBOX ATOM 561 O2' ADE A 24 -4.956 1.953 -3.614 1.00 0.00 SBOX O ATOM 562 H2' ADE A 24 -27.599 -11.183 -23.951 1.00 0.00 SBOX ATOM 563 O3' ADE A 24 -3.415 2.056 -2.146 1.00 0.00 SBOX O ATOM 564 P CYT A 25 1.861 1.571 6.583 1.00 0.00 SBOX P ATOM 565 O1P CYT A 25 2.502 2.737 3.096 1.00 0.00 SBOX ATOM 566 O2P CYT A 25 0.240 1.559 5.073 1.00 0.00 SBOX ATOM 567 O5' CYT A 25 3.066 0.342 -4.778 1.00 0.00 SBOX O ATOM 568 C5' CYT A 25 -1.061 -5.905 -3.517 1.00 0.00 SBOX C ATOM 569 H5' CYT A 25 11.186 -8.284 -4.810 1.00 0.00 SBOX ATOM 570 H5'' CYT A 25 -11.351 6.212 -8.715 1.00 0.00 SBOX ATOM 571 C4' CYT A 25 10.686 -1.502 -6.738 1.00 0.00 SBOX C ATOM 572 H4' CYT A 25 18.691 -4.038 -23.331 1.00 0.00 SBOX ATOM 573 O4' CYT A 25 1.914 6.465 -5.061 1.00 0.00 SBOX O ATOM 574 C1' CYT A 25 4.195 -2.286 -4.004 1.00 0.00 SBOX C ATOM 575 H1' CYT A 25 15.499 3.069 -5.247 1.00 0.00 SBOX ATOM 576 N1 CYT A 25 -7.198 2.716 -0.471 1.00 0.00 SBOX N ATOM 577 C6 CYT A 25 1.276 -4.958 -2.567 1.00 0.00 SBOX C ATOM 578 H6 CYT A 25 -9.449 12.219 1.451 1.00 0.00 SBOX ATOM 579 C5 CYT A 25 6.193 2.787 -0.783 1.00 0.00 SBOX C ATOM 580 H5 CYT A 25 13.408 -0.115 -8.819 1.00 0.00 SBOX ATOM 581 C4 CYT A 25 -3.100 -4.380 3.816 1.00 0.00 SBOX C ATOM 582 N4 CYT A 25 0.769 3.190 -2.116 1.00 0.00 SBOX N ATOM 583 H41 CYT A 25 16.782 -3.544 1.687 1.00 0.00 SBOX ATOM 584 H42 CYT A 25 7.611 6.367 -4.447 1.00 0.00 SBOX ATOM 585 N3 CYT A 25 -3.417 -5.979 -2.648 1.00 0.00 SBOX N ATOM 586 C2 CYT A 25 -3.429 1.335 -7.178 1.00 0.00 SBOX C ATOM 587 O2 CYT A 25 5.240 -0.579 2.077 1.00 0.00 SBOX O ATOM 588 C3' CYT A 25 1.121 -0.266 0.742 1.00 0.00 SBOX C ATOM 589 H3' CYT A 25 -8.988 21.707 20.366 1.00 0.00 SBOX ATOM 590 C2' CYT A 25 6.065 2.692 -5.753 1.00 0.00 SBOX C ATOM 591 H2'' CYT A 25 9.180 -12.831 7.038 1.00 0.00 SBOX ATOM 592 O2' CYT A 25 -4.813 1.393 -6.307 1.00 0.00 SBOX O ATOM 593 H2' CYT A 25 0.337 -1.221 -5.025 1.00 0.00 SBOX ATOM 594 O3' CYT A 25 1.827 -2.187 10.845 1.00 0.00 SBOX O ATOM 595 P URA A 26 2.426 1.419 4.324 1.00 0.00 SBOX P ATOM 596 O1P URA A 26 -6.008 1.411 3.132 1.00 0.00 SBOX ATOM 597 O2P URA A 26 4.073 -1.543 -1.857 1.00 0.00 SBOX ATOM 598 O5' URA A 26 4.712 8.515 2.797 1.00 0.00 SBOX O ATOM 599 C5' URA A 26 7.572 0.246 -4.422 1.00 0.00 SBOX C ATOM 600 H5' URA A 26 -2.282 -1.684 -0.149 1.00 0.00 SBOX ATOM 601 H5'' URA A 26 -3.413 -19.798 -10.017 1.00 0.00 SBOX ATOM 602 C4' URA A 26 -1.792 -12.581 0.121 1.00 0.00 SBOX C ATOM 603 H4' URA A 26 -17.094 -16.519 10.526 1.00 0.00 SBOX ATOM 604 O4' URA A 26 4.732 -3.360 -1.362 1.00 0.00 SBOX O ATOM 605 C1' URA A 26 -0.975 -1.601 5.360 1.00 0.00 SBOX C ATOM 606 H1' URA A 26 7.626 -6.038 4.459 1.00 0.00 SBOX ATOM 607 N1 URA A 26 0.602 -2.703 2.559 1.00 0.00 SBOX N ATOM 608 C6 URA A 26 -4.685 -2.493 -0.281 1.00 0.00 SBOX C ATOM 609 H6 URA A 26 -14.230 16.989 -10.274 1.00 0.00 SBOX ATOM 610 C5 URA A 26 7.955 3.344 3.710 1.00 0.00 SBOX C ATOM 611 H5 URA A 26 13.540 3.771 -12.751 1.00 0.00 SBOX ATOM 612 C4 URA A 26 -3.444 4.233 -1.907 1.00 0.00 SBOX C ATOM 613 O4 URA A 26 -1.065 2.395 -6.695 1.00 0.00 SBOX O ATOM 614 N3 URA A 26 -1.604 -3.136 0.030 1.00 0.00 SBOX N ATOM 615 H3 URA A 26 8.130 -15.997 4.063 1.00 0.00 SBOX ATOM 616 C2 URA A 26 5.593 7.195 -1.877 1.00 0.00 SBOX C ATOM 617 O2 URA A 26 -3.632 -0.661 1.137 1.00 0.00 SBOX O ATOM 618 C3' URA A 26 4.288 3.166 7.129 1.00 0.00 SBOX C ATOM 619 H3' URA A 26 -0.047 8.082 17.648 1.00 0.00 SBOX ATOM 620 C2' URA A 26 3.107 2.077 4.253 1.00 0.00 SBOX C ATOM 621 H2'' URA A 26 29.673 21.832 -15.511 1.00 0.00 SBOX ATOM 622 O2' URA A 26 -5.038 -6.125 -1.987 1.00 0.00 SBOX O ATOM 623 H2' URA A 26 1.177 6.795 -30.042 1.00 0.00 SBOX ATOM 624 O3' URA A 26 -0.204 7.323 -0.290 1.00 0.00 SBOX O ATOM 625 P GUA A 27 5.148 -1.155 3.126 1.00 0.00 SBOX P ATOM 626 O1P GUA A 27 3.037 2.429 -0.823 1.00 0.00 SBOX ATOM 627 O2P GUA A 27 4.748 -1.364 2.203 1.00 0.00 SBOX ATOM 628 O5' GUA A 27 -0.214 3.229 -8.169 1.00 0.00 SBOX O ATOM 629 C5' GUA A 27 -1.120 2.693 -3.129 1.00 0.00 SBOX C ATOM 630 H5' GUA A 27 10.045 11.019 -1.973 1.00 0.00 SBOX ATOM 631 H5'' GUA A 27 21.750 16.535 3.878 1.00 0.00 SBOX ATOM 632 C4' GUA A 27 4.407 3.330 0.811 1.00 0.00 SBOX C ATOM 633 H4' GUA A 27 -18.543 4.984 -1.759 1.00 0.00 SBOX ATOM 634 O4' GUA A 27 -1.916 2.392 2.096 1.00 0.00 SBOX O ATOM 635 C1' GUA A 27 -5.599 2.048 1.554 1.00 0.00 SBOX C ATOM 636 H1' GUA A 27 -10.508 2.229 -6.386 1.00 0.00 SBOX ATOM 637 N9 GUA A 27 7.488 -3.788 -1.940 1.00 0.00 SBOX N ATOM 638 C8 GUA A 27 -0.855 -1.884 -2.820 1.00 0.00 SBOX C ATOM 639 H8 GUA A 27 3.165 -12.589 20.202 1.00 0.00 SBOX ATOM 640 N7 GUA A 27 4.201 0.699 -5.838 1.00 0.00 SBOX N ATOM 641 C5 GUA A 27 3.828 -7.488 3.470 1.00 0.00 SBOX C ATOM 642 C6 GUA A 27 6.873 -1.906 -2.778 1.00 0.00 SBOX C ATOM 643 O6 GUA A 27 -3.862 0.587 -0.238 1.00 0.00 SBOX O ATOM 644 N1 GUA A 27 2.801 1.985 -0.669 1.00 0.00 SBOX N ATOM 645 H1 GUA A 27 8.544 8.257 6.933 1.00 0.00 SBOX ATOM 646 C2 GUA A 27 -1.148 -2.737 5.822 1.00 0.00 SBOX C ATOM 647 N2 GUA A 27 -1.019 1.968 1.246 1.00 0.00 SBOX N ATOM 648 H21 GUA A 27 -4.565 1.096 -10.562 1.00 0.00 SBOX ATOM 649 H22 GUA A 27 -17.746 3.769 -4.076 1.00 0.00 SBOX ATOM 650 N3 GUA A 27 -0.305 -6.783 -4.502 1.00 0.00 SBOX N ATOM 651 C4 GUA A 27 5.129 -1.923 12.203 1.00 0.00 SBOX C ATOM 652 C3' GUA A 27 -2.393 -3.850 6.854 1.00 0.00 SBOX C ATOM 653 H3' GUA A 27 -26.350 6.003 19.383 1.00 0.00 SBOX ATOM 654 C2' GUA A 27 -2.697 5.091 1.783 1.00 0.00 SBOX C ATOM 655 H2'' GUA A 27 -9.927 9.932 20.055 1.00 0.00 SBOX ATOM 656 O2' GUA A 27 -1.172 3.192 0.497 1.00 0.00 SBOX O ATOM 657 H2' GUA A 27 -5.824 6.922 1.473 1.00 0.00 SBOX ATOM 658 O3' GUA A 27 -3.021 0.754 -9.503 1.00 0.00 SBOX O ATOM 659 P GUA A 28 0.136 3.888 -2.715 1.00 0.00 SBOX P ATOM 660 O1P GUA A 28 0.785 4.955 -0.249 1.00 0.00 SBOX ATOM 661 O2P GUA A 28 -1.184 -0.547 -1.962 1.00 0.00 SBOX ATOM 662 O5' GUA A 28 -0.194 5.139 4.841 1.00 0.00 SBOX O ATOM 663 C5' GUA A 28 0.190 -2.063 -6.302 1.00 0.00 SBOX C ATOM 664 H5' GUA A 28 18.537 2.582 -5.521 1.00 0.00 SBOX ATOM 665 H5'' GUA A 28 4.902 -4.651 -0.419 1.00 0.00 SBOX ATOM 666 C4' GUA A 28 -1.850 -1.433 -3.198 1.00 0.00 SBOX C ATOM 667 H4' GUA A 28 -36.254 19.000 -25.694 1.00 0.00 SBOX ATOM 668 O4' GUA A 28 -4.704 -7.741 0.034 1.00 0.00 SBOX O ATOM 669 C1' GUA A 28 0.541 -0.537 4.803 1.00 0.00 SBOX C ATOM 670 H1' GUA A 28 1.208 -2.940 4.260 1.00 0.00 SBOX ATOM 671 N9 GUA A 28 1.505 -4.913 -5.815 1.00 0.00 SBOX N ATOM 672 C8 GUA A 28 2.910 3.111 3.451 1.00 0.00 SBOX C ATOM 673 H8 GUA A 28 19.451 20.912 14.718 1.00 0.00 SBOX ATOM 674 N7 GUA A 28 -3.506 -0.840 -3.250 1.00 0.00 SBOX N ATOM 675 C5 GUA A 28 -0.372 1.323 -0.989 1.00 0.00 SBOX C ATOM 676 C6 GUA A 28 -0.472 2.517 1.106 1.00 0.00 SBOX C ATOM 677 O6 GUA A 28 4.260 -1.637 1.362 1.00 0.00 SBOX O ATOM 678 N1 GUA A 28 2.490 4.042 1.869 1.00 0.00 SBOX N ATOM 679 H1 GUA A 28 2.085 8.774 -9.734 1.00 0.00 SBOX ATOM 680 C2 GUA A 28 -5.486 -5.355 -0.818 1.00 0.00 SBOX C ATOM 681 N2 GUA A 28 1.896 5.143 -1.078 1.00 0.00 SBOX N ATOM 682 H21 GUA A 28 -12.231 -12.747 23.450 1.00 0.00 SBOX ATOM 683 H22 GUA A 28 -6.684 5.714 5.465 1.00 0.00 SBOX ATOM 684 N3 GUA A 28 2.117 1.754 -4.053 1.00 0.00 SBOX N ATOM 685 C4 GUA A 28 -1.120 4.943 -7.971 1.00 0.00 SBOX C ATOM 686 C3' GUA A 28 7.923 -2.296 5.026 1.00 0.00 SBOX C ATOM 687 H3' GUA A 28 -11.720 6.902 13.007 1.00 0.00 SBOX ATOM 688 C2' GUA A 28 -3.294 0.917 -3.608 1.00 0.00 SBOX C ATOM 689 H2'' GUA A 28 27.867 21.533 -20.729 1.00 0.00 SBOX ATOM 690 O2' GUA A 28 -2.573 -2.211 -1.022 1.00 0.00 SBOX O ATOM 691 H2' GUA A 28 -2.424 9.092 -4.563 1.00 0.00 SBOX ATOM 692 O3' GUA A 28 -2.110 -3.518 -8.303 1.00 0.00 SBOX O ATOM 693 P CYT A 29 -1.853 -3.304 -0.300 1.00 0.00 SBOX P ATOM 694 O1P CYT A 29 -2.635 -4.009 -4.135 1.00 0.00 SBOX ATOM 695 O2P CYT A 29 3.252 -0.976 -1.136 1.00 0.00 SBOX ATOM 696 O5' CYT A 29 -4.502 0.850 -1.748 1.00 0.00 SBOX O ATOM 697 C5' CYT A 29 -8.959 7.080 7.896 1.00 0.00 SBOX C ATOM 698 H5' CYT A 29 -15.956 16.805 18.122 1.00 0.00 SBOX ATOM 699 H5'' CYT A 29 8.332 16.136 -2.691 1.00 0.00 SBOX ATOM 700 C4' CYT A 29 9.050 0.159 -6.819 1.00 0.00 SBOX C ATOM 701 H4' CYT A 29 1.526 38.055 13.791 1.00 0.00 SBOX ATOM 702 O4' CYT A 29 5.899 -3.836 -2.660 1.00 0.00 SBOX O ATOM 703 C1' CYT A 29 -1.669 9.650 1.861 1.00 0.00 SBOX C ATOM 704 H1' CYT A 29 -3.520 1.410 1.190 1.00 0.00 SBOX ATOM 705 N1 CYT A 29 -2.209 2.862 3.526 1.00 0.00 SBOX N ATOM 706 C6 CYT A 29 1.062 2.621 10.930 1.00 0.00 SBOX C ATOM 707 H6 CYT A 29 5.660 5.000 6.281 1.00 0.00 SBOX ATOM 708 C5 CYT A 29 -1.122 0.653 -3.159 1.00 0.00 SBOX C ATOM 709 H5 CYT A 29 -15.387 -27.735 -4.003 1.00 0.00 SBOX ATOM 710 C4 CYT A 29 5.972 -3.521 7.618 1.00 0.00 SBOX C ATOM 711 N4 CYT A 29 -1.049 -0.763 -1.162 1.00 0.00 SBOX N ATOM 712 H41 CYT A 29 19.901 7.563 -8.387 1.00 0.00 SBOX ATOM 713 H42 CYT A 29 -2.470 -2.538 -23.640 1.00 0.00 SBOX ATOM 714 N3 CYT A 29 -3.476 0.588 -6.522 1.00 0.00 SBOX N ATOM 715 C2 CYT A 29 -8.085 6.861 5.263 1.00 0.00 SBOX C ATOM 716 O2 CYT A 29 -1.906 -0.293 1.564 1.00 0.00 SBOX O ATOM 717 C3' CYT A 29 -7.403 -0.680 -1.368 1.00 0.00 SBOX C ATOM 718 H3' CYT A 29 -10.409 16.906 -2.617 1.00 0.00 SBOX ATOM 719 C2' CYT A 29 -0.523 1.556 0.617 1.00 0.00 SBOX C ATOM 720 H2'' CYT A 29 14.455 -4.671 7.154 1.00 0.00 SBOX ATOM 721 O2' CYT A 29 -5.006 5.070 3.106 1.00 0.00 SBOX O ATOM 722 H2' CYT A 29 -14.610 -23.321 -6.975 1.00 0.00 SBOX ATOM 723 O3' CYT A 29 1.169 -1.056 -3.656 1.00 0.00 SBOX O ATOM 724 P CYT A 30 -1.453 2.239 -6.571 1.00 0.00 SBOX P ATOM 725 O1P CYT A 30 -2.327 -0.391 0.888 1.00 0.00 SBOX ATOM 726 O2P CYT A 30 1.267 1.945 6.180 1.00 0.00 SBOX ATOM 727 O5' CYT A 30 -0.498 -1.991 5.229 1.00 0.00 SBOX O ATOM 728 C5' CYT A 30 9.947 4.359 0.989 1.00 0.00 SBOX C ATOM 729 H5' CYT A 30 14.571 -3.207 -7.475 1.00 0.00 SBOX ATOM 730 H5'' CYT A 30 8.823 22.868 -2.932 1.00 0.00 SBOX ATOM 731 C4' CYT A 30 -4.472 -0.157 -2.853 1.00 0.00 SBOX C ATOM 732 H4' CYT A 30 -6.540 -10.082 -26.687 1.00 0.00 SBOX ATOM 733 O4' CYT A 30 13.108 3.575 6.258 1.00 0.00 SBOX O ATOM 734 C1' CYT A 30 0.616 -0.394 0.401 1.00 0.00 SBOX C ATOM 735 H1' CYT A 30 16.221 -6.737 3.035 1.00 0.00 SBOX ATOM 736 N1 CYT A 30 4.264 2.376 -4.239 1.00 0.00 SBOX N ATOM 737 C6 CYT A 30 13.458 -5.047 0.813 1.00 0.00 SBOX C ATOM 738 H6 CYT A 30 -13.733 11.892 8.284 1.00 0.00 SBOX ATOM 739 C5 CYT A 30 -0.522 0.507 -2.334 1.00 0.00 SBOX C ATOM 740 H5 CYT A 30 3.102 5.644 -4.238 1.00 0.00 SBOX ATOM 741 C4 CYT A 30 -7.012 -5.100 6.159 1.00 0.00 SBOX C ATOM 742 N4 CYT A 30 -1.323 3.563 -0.528 1.00 0.00 SBOX N ATOM 743 H41 CYT A 30 1.873 10.694 -12.195 1.00 0.00 SBOX ATOM 744 H42 CYT A 30 -3.352 4.782 -5.676 1.00 0.00 SBOX ATOM 745 N3 CYT A 30 1.486 -2.566 -2.177 1.00 0.00 SBOX N ATOM 746 C2 CYT A 30 5.158 -1.797 -2.612 1.00 0.00 SBOX C ATOM 747 O2 CYT A 30 5.875 4.505 6.372 1.00 0.00 SBOX O ATOM 748 C3' CYT A 30 5.675 -0.459 1.751 1.00 0.00 SBOX C ATOM 749 H3' CYT A 30 -12.087 -10.024 -34.390 1.00 0.00 SBOX ATOM 750 C2' CYT A 30 4.509 1.164 8.176 1.00 0.00 SBOX C ATOM 751 H2'' CYT A 30 -22.224 16.947 12.213 1.00 0.00 SBOX ATOM 752 O2' CYT A 30 2.494 4.777 4.527 1.00 0.00 SBOX O ATOM 753 H2' CYT A 30 -0.537 2.116 7.653 1.00 0.00 SBOX ATOM 754 O3' CYT A 30 0.031 -2.761 -0.968 1.00 0.00 SBOX O ATOM 755 P CYT A 31 1.141 0.956 -6.432 1.00 0.00 SBOX P ATOM 756 O1P CYT A 31 3.779 0.519 -1.569 1.00 0.00 SBOX ATOM 757 O2P CYT A 31 3.442 -5.384 -2.772 1.00 0.00 SBOX ATOM 758 O5' CYT A 31 -9.080 -5.292 -9.969 1.00 0.00 SBOX O ATOM 759 C5' CYT A 31 -2.810 3.202 -3.468 1.00 0.00 SBOX C ATOM 760 H5' CYT A 31 0.362 26.506 20.279 1.00 0.00 SBOX ATOM 761 H5'' CYT A 31 -7.314 -4.445 -5.460 1.00 0.00 SBOX ATOM 762 C4' CYT A 31 -2.096 -1.337 5.108 1.00 0.00 SBOX C ATOM 763 H4' CYT A 31 -2.891 -0.427 3.863 1.00 0.00 SBOX ATOM 764 O4' CYT A 31 2.972 2.662 -0.822 1.00 0.00 SBOX O ATOM 765 C1' CYT A 31 2.928 2.761 -0.564 1.00 0.00 SBOX C ATOM 766 H1' CYT A 31 3.994 -4.609 0.089 1.00 0.00 SBOX ATOM 767 N1 CYT A 31 -8.518 2.414 0.084 1.00 0.00 SBOX N ATOM 768 C6 CYT A 31 -6.600 -1.135 6.434 1.00 0.00 SBOX C ATOM 769 H6 CYT A 31 -8.182 6.923 -11.928 1.00 0.00 SBOX ATOM 770 C5 CYT A 31 2.902 1.210 -8.045 1.00 0.00 SBOX C ATOM 771 H5 CYT A 31 -7.689 -20.647 15.231 1.00 0.00 SBOX ATOM 772 C4 CYT A 31 -3.615 6.849 -3.213 1.00 0.00 SBOX C ATOM 773 N4 CYT A 31 -1.809 -2.815 2.022 1.00 0.00 SBOX N ATOM 774 H41 CYT A 31 11.094 -8.935 -20.273 1.00 0.00 SBOX ATOM 775 H42 CYT A 31 -67.240 -15.293 28.482 1.00 0.00 SBOX ATOM 776 N3 CYT A 31 -1.521 3.202 1.595 1.00 0.00 SBOX N ATOM 777 C2 CYT A 31 0.973 0.141 -0.639 1.00 0.00 SBOX C ATOM 778 O2 CYT A 31 -1.899 4.369 5.532 1.00 0.00 SBOX O ATOM 779 C3' CYT A 31 4.049 -5.303 -3.082 1.00 0.00 SBOX C ATOM 780 H3' CYT A 31 3.882 5.942 -11.229 1.00 0.00 SBOX ATOM 781 C2' CYT A 31 -6.181 14.781 -5.430 1.00 0.00 SBOX C ATOM 782 H2'' CYT A 31 6.277 -1.671 -4.073 1.00 0.00 SBOX ATOM 783 O2' CYT A 31 -0.428 1.444 -1.397 1.00 0.00 SBOX O ATOM 784 H2' CYT A 31 -2.933 4.297 -0.658 1.00 0.00 SBOX ATOM 785 O3' CYT A 31 1.864 -5.883 4.550 1.00 0.00 SBOX O ATOM 786 P GUA A 32 -8.114 -1.311 -0.141 1.00 0.00 SBOX P ATOM 787 O1P GUA A 32 7.394 1.355 3.108 1.00 0.00 SBOX ATOM 788 O2P GUA A 32 4.030 -1.673 -1.434 1.00 0.00 SBOX ATOM 789 O5' GUA A 32 -0.620 4.532 -4.291 1.00 0.00 SBOX O ATOM 790 C5' GUA A 32 0.574 3.070 -4.562 1.00 0.00 SBOX C ATOM 791 H5' GUA A 32 17.904 -29.774 -8.526 1.00 0.00 SBOX ATOM 792 H5'' GUA A 32 -2.993 7.035 7.544 1.00 0.00 SBOX ATOM 793 C4' GUA A 32 -5.649 2.990 -7.382 1.00 0.00 SBOX C ATOM 794 H4' GUA A 32 2.009 0.468 -0.991 1.00 0.00 SBOX ATOM 795 O4' GUA A 32 0.157 -2.420 -0.751 1.00 0.00 SBOX O ATOM 796 C1' GUA A 32 2.443 0.588 -6.333 1.00 0.00 SBOX C ATOM 797 H1' GUA A 32 -1.310 0.247 -2.368 1.00 0.00 SBOX ATOM 798 N9 GUA A 32 -5.872 -1.212 6.217 1.00 0.00 SBOX N ATOM 799 C8 GUA A 32 -4.561 2.799 -1.598 1.00 0.00 SBOX C ATOM 800 H8 GUA A 32 -2.872 6.711 11.270 1.00 0.00 SBOX ATOM 801 N7 GUA A 32 5.285 -2.780 4.440 1.00 0.00 SBOX N ATOM 802 C5 GUA A 32 0.200 -1.184 -2.159 1.00 0.00 SBOX C ATOM 803 C6 GUA A 32 1.987 2.463 -3.310 1.00 0.00 SBOX C ATOM 804 O6 GUA A 32 -0.772 3.848 -0.807 1.00 0.00 SBOX O ATOM 805 N1 GUA A 32 0.773 -0.026 8.945 1.00 0.00 SBOX N ATOM 806 H1 GUA A 32 -9.597 14.782 -14.716 1.00 0.00 SBOX ATOM 807 C2 GUA A 32 4.586 3.318 -1.368 1.00 0.00 SBOX C ATOM 808 N2 GUA A 32 -5.599 -4.690 0.192 1.00 0.00 SBOX N ATOM 809 H21 GUA A 32 -6.865 -5.503 9.364 1.00 0.00 SBOX ATOM 810 H22 GUA A 32 -12.827 -5.156 3.890 1.00 0.00 SBOX ATOM 811 N3 GUA A 32 4.121 -3.022 -0.921 1.00 0.00 SBOX N ATOM 812 C4 GUA A 32 -4.601 -3.431 2.792 1.00 0.00 SBOX C ATOM 813 C3' GUA A 32 -7.260 4.750 -0.075 1.00 0.00 SBOX C ATOM 814 H3' GUA A 32 -15.351 -2.087 14.152 1.00 0.00 SBOX ATOM 815 C2' GUA A 32 3.678 -8.103 -4.470 1.00 0.00 SBOX C ATOM 816 H2'' GUA A 32 -15.804 -9.301 -16.415 1.00 0.00 SBOX ATOM 817 O2' GUA A 32 -2.984 3.260 2.901 1.00 0.00 SBOX O ATOM 818 H2' GUA A 32 -1.342 -4.875 -4.593 1.00 0.00 SBOX ATOM 819 O3' GUA A 32 -1.214 2.062 2.597 1.00 0.00 SBOX O ATOM 820 P ADE A 33 -2.804 1.948 1.463 1.00 0.00 SBOX P ATOM 821 O1P ADE A 33 -8.397 -5.774 0.415 1.00 0.00 SBOX ATOM 822 O2P ADE A 33 -1.635 -5.666 2.354 1.00 0.00 SBOX ATOM 823 O5' ADE A 33 -6.288 -2.414 1.387 1.00 0.00 SBOX O ATOM 824 C5' ADE A 33 -3.053 -0.953 -0.231 1.00 0.00 SBOX C ATOM 825 H5' ADE A 33 2.388 5.158 16.288 1.00 0.00 SBOX ATOM 826 H5'' ADE A 33 11.282 5.962 -3.405 1.00 0.00 SBOX ATOM 827 C4' ADE A 33 0.448 4.559 2.902 1.00 0.00 SBOX C ATOM 828 H4' ADE A 33 -0.954 4.145 -1.568 1.00 0.00 SBOX ATOM 829 O4' ADE A 33 -4.292 0.388 -3.990 1.00 0.00 SBOX O ATOM 830 C1' ADE A 33 1.961 -2.555 4.010 1.00 0.00 SBOX C ATOM 831 H1' ADE A 33 14.213 -5.653 -12.878 1.00 0.00 SBOX ATOM 832 N9 ADE A 33 0.697 1.118 1.159 1.00 0.00 SBOX N ATOM 833 C8 ADE A 33 -1.651 -0.014 3.775 1.00 0.00 SBOX C ATOM 834 H8 ADE A 33 3.705 -2.183 -0.366 1.00 0.00 SBOX ATOM 835 N7 ADE A 33 2.796 -1.173 -0.129 1.00 0.00 SBOX N ATOM 836 C5 ADE A 33 -1.224 -5.132 0.113 1.00 0.00 SBOX C ATOM 837 C6 ADE A 33 0.626 1.321 -7.800 1.00 0.00 SBOX C ATOM 838 N6 ADE A 33 -3.038 -3.723 1.613 1.00 0.00 SBOX N ATOM 839 H61 ADE A 33 -11.319 -9.550 -4.954 1.00 0.00 SBOX ATOM 840 H62 ADE A 33 -6.764 -0.176 1.950 1.00 0.00 SBOX ATOM 841 N1 ADE A 33 -3.362 5.129 -5.026 1.00 0.00 SBOX N ATOM 842 C2 ADE A 33 -0.734 -2.688 1.935 1.00 0.00 SBOX C ATOM 843 H2 ADE A 33 0.305 -5.493 -1.515 1.00 0.00 SBOX ATOM 844 N3 ADE A 33 -0.260 2.727 -3.244 1.00 0.00 SBOX N ATOM 845 C4 ADE A 33 -3.928 2.269 -5.000 1.00 0.00 SBOX C ATOM 846 C3' ADE A 33 2.376 -3.286 -3.071 1.00 0.00 SBOX C ATOM 847 H3' ADE A 33 21.692 -7.842 9.919 1.00 0.00 SBOX ATOM 848 C2' ADE A 33 -0.736 4.885 4.701 1.00 0.00 SBOX C ATOM 849 H2'' ADE A 33 0.326 2.243 -9.156 1.00 0.00 SBOX ATOM 850 O2' ADE A 33 -1.769 -6.027 -6.502 1.00 0.00 SBOX O ATOM 851 H2' ADE A 33 -0.504 -4.489 -4.715 1.00 0.00 SBOX ATOM 852 O3' ADE A 33 2.812 -0.714 3.935 1.00 0.00 SBOX O ATOM 853 P URA A 34 -1.596 3.282 3.413 1.00 0.00 SBOX P ATOM 854 O1P URA A 34 -4.802 -4.413 3.310 1.00 0.00 SBOX ATOM 855 O2P URA A 34 -6.157 3.036 -8.637 1.00 0.00 SBOX ATOM 856 O5' URA A 34 3.808 0.648 -2.984 1.00 0.00 SBOX O ATOM 857 C5' URA A 34 6.672 5.193 0.495 1.00 0.00 SBOX C ATOM 858 H5' URA A 34 -15.466 -4.391 1.665 1.00 0.00 SBOX ATOM 859 H5'' URA A 34 -9.302 3.493 4.113 1.00 0.00 SBOX ATOM 860 C4' URA A 34 -8.677 -0.022 7.367 1.00 0.00 SBOX C ATOM 861 H4' URA A 34 -4.413 -1.453 10.557 1.00 0.00 SBOX ATOM 862 O4' URA A 34 -3.729 2.108 1.350 1.00 0.00 SBOX O ATOM 863 C1' URA A 34 -0.514 -5.742 -0.738 1.00 0.00 SBOX C ATOM 864 H1' URA A 34 -4.264 -8.968 -0.730 1.00 0.00 SBOX ATOM 865 N1 URA A 34 0.117 4.779 1.870 1.00 0.00 SBOX N ATOM 866 C6 URA A 34 -4.586 -0.789 6.291 1.00 0.00 SBOX C ATOM 867 H6 URA A 34 -1.276 -17.116 5.301 1.00 0.00 SBOX ATOM 868 C5 URA A 34 5.647 11.861 -6.827 1.00 0.00 SBOX C ATOM 869 H5 URA A 34 4.887 9.867 -1.734 1.00 0.00 SBOX ATOM 870 C4 URA A 34 2.342 6.478 0.494 1.00 0.00 SBOX C ATOM 871 O4 URA A 34 -1.738 6.180 -0.398 1.00 0.00 SBOX O ATOM 872 N3 URA A 34 -3.716 5.670 1.615 1.00 0.00 SBOX N ATOM 873 H3 URA A 34 -6.427 12.537 2.188 1.00 0.00 SBOX ATOM 874 C2 URA A 34 -3.353 -2.537 -5.427 1.00 0.00 SBOX C ATOM 875 O2 URA A 34 -5.292 -14.181 3.013 1.00 0.00 SBOX O ATOM 876 C3' URA A 34 1.562 5.074 1.104 1.00 0.00 SBOX C ATOM 877 H3' URA A 34 -15.786 -3.070 -29.591 1.00 0.00 SBOX ATOM 878 C2' URA A 34 1.119 4.868 1.177 1.00 0.00 SBOX C ATOM 879 H2'' URA A 34 8.315 -8.070 -9.301 1.00 0.00 SBOX ATOM 880 O2' URA A 34 -6.388 0.251 -8.496 1.00 0.00 SBOX O ATOM 881 H2' URA A 34 5.662 1.409 -11.067 1.00 0.00 SBOX ATOM 882 O3' URA A 34 2.398 1.484 1.436 1.00 0.00 SBOX O ATOM 883 P GUA A 35 -0.813 -0.240 1.962 1.00 0.00 SBOX P ATOM 884 O1P GUA A 35 -0.673 1.079 4.670 1.00 0.00 SBOX ATOM 885 O2P GUA A 35 0.545 -4.276 -2.250 1.00 0.00 SBOX ATOM 886 O5' GUA A 35 -1.196 1.030 6.957 1.00 0.00 SBOX O ATOM 887 C5' GUA A 35 -5.194 -4.436 -1.239 1.00 0.00 SBOX C ATOM 888 H5' GUA A 35 9.909 18.043 16.197 1.00 0.00 SBOX ATOM 889 H5'' GUA A 35 11.435 -3.249 10.809 1.00 0.00 SBOX ATOM 890 C4' GUA A 35 0.105 -3.274 -2.244 1.00 0.00 SBOX C ATOM 891 H4' GUA A 35 -11.414 -6.153 8.970 1.00 0.00 SBOX ATOM 892 O4' GUA A 35 0.562 -2.771 -0.008 1.00 0.00 SBOX O ATOM 893 C1' GUA A 35 6.928 -1.167 8.159 1.00 0.00 SBOX C ATOM 894 H1' GUA A 35 13.199 1.814 12.009 1.00 0.00 SBOX ATOM 895 N9 GUA A 35 -6.328 -2.219 1.821 1.00 0.00 SBOX N ATOM 896 C8 GUA A 35 -5.299 -2.928 -3.151 1.00 0.00 SBOX C ATOM 897 H8 GUA A 35 -6.166 0.514 17.435 1.00 0.00 SBOX ATOM 898 N7 GUA A 35 -0.105 -5.828 -5.137 1.00 0.00 SBOX N ATOM 899 C5 GUA A 35 -3.247 5.582 -5.123 1.00 0.00 SBOX C ATOM 900 C6 GUA A 35 -1.822 -2.080 5.775 1.00 0.00 SBOX C ATOM 901 O6 GUA A 35 -3.527 -0.896 4.290 1.00 0.00 SBOX O ATOM 902 N1 GUA A 35 0.923 -0.145 -2.802 1.00 0.00 SBOX N ATOM 903 H1 GUA A 35 -0.270 1.810 -10.505 1.00 0.00 SBOX ATOM 904 C2 GUA A 35 -1.299 -0.750 4.784 1.00 0.00 SBOX C ATOM 905 N2 GUA A 35 4.677 5.499 2.145 1.00 0.00 SBOX N ATOM 906 H21 GUA A 35 12.338 -10.262 1.389 1.00 0.00 SBOX ATOM 907 H22 GUA A 35 -3.807 23.405 14.910 1.00 0.00 SBOX ATOM 908 N3 GUA A 35 -6.566 1.601 -1.961 1.00 0.00 SBOX N ATOM 909 C4 GUA A 35 -2.721 -2.870 -0.625 1.00 0.00 SBOX C ATOM 910 C3' GUA A 35 3.781 -1.426 4.913 1.00 0.00 SBOX C ATOM 911 H3' GUA A 35 -9.879 -9.571 7.791 1.00 0.00 SBOX ATOM 912 C2' GUA A 35 -7.649 5.401 0.793 1.00 0.00 SBOX C ATOM 913 H2'' GUA A 35 -2.099 -1.931 38.028 1.00 0.00 SBOX ATOM 914 O2' GUA A 35 5.380 0.581 0.059 1.00 0.00 SBOX O ATOM 915 H2' GUA A 35 0.436 14.228 3.222 1.00 0.00 SBOX ATOM 916 O3' GUA A 35 5.202 1.193 2.274 1.00 0.00 SBOX O ATOM 917 P ADE A 36 2.236 -1.865 3.577 1.00 0.00 SBOX P ATOM 918 O1P ADE A 36 -3.417 4.137 -0.408 1.00 0.00 SBOX ATOM 919 O2P ADE A 36 3.659 -1.108 2.084 1.00 0.00 SBOX ATOM 920 O5' ADE A 36 -2.456 -4.880 -1.516 1.00 0.00 SBOX O ATOM 921 C5' ADE A 36 -0.467 -1.662 -3.554 1.00 0.00 SBOX C ATOM 922 H5' ADE A 36 9.904 -32.357 -4.204 1.00 0.00 SBOX ATOM 923 H5'' ADE A 36 2.385 10.949 -2.709 1.00 0.00 SBOX ATOM 924 C4' ADE A 36 -5.611 5.211 -6.978 1.00 0.00 SBOX C ATOM 925 H4' ADE A 36 -10.320 11.645 14.913 1.00 0.00 SBOX ATOM 926 O4' ADE A 36 0.013 -0.845 6.363 1.00 0.00 SBOX O ATOM 927 C1' ADE A 36 -2.885 -1.888 5.090 1.00 0.00 SBOX C ATOM 928 H1' ADE A 36 -6.116 7.138 -18.956 1.00 0.00 SBOX ATOM 929 N9 ADE A 36 0.714 1.764 2.456 1.00 0.00 SBOX N ATOM 930 C8 ADE A 36 -5.261 4.641 -3.177 1.00 0.00 SBOX C ATOM 931 H8 ADE A 36 -1.439 17.379 -10.320 1.00 0.00 SBOX ATOM 932 N7 ADE A 36 -0.651 7.236 0.289 1.00 0.00 SBOX N ATOM 933 C5 ADE A 36 -2.299 2.685 0.321 1.00 0.00 SBOX C ATOM 934 C6 ADE A 36 2.440 6.993 -9.601 1.00 0.00 SBOX C ATOM 935 N6 ADE A 36 -3.835 5.818 -4.282 1.00 0.00 SBOX N ATOM 936 H61 ADE A 36 4.616 -36.857 -8.398 1.00 0.00 SBOX ATOM 937 H62 ADE A 36 -11.066 11.029 8.773 1.00 0.00 SBOX ATOM 938 N1 ADE A 36 6.649 -0.025 -6.701 1.00 0.00 SBOX N ATOM 939 C2 ADE A 36 1.419 -1.857 2.512 1.00 0.00 SBOX C ATOM 940 H2 ADE A 36 2.841 17.978 24.984 1.00 0.00 SBOX ATOM 941 N3 ADE A 36 -1.651 1.842 4.569 1.00 0.00 SBOX N ATOM 942 C4 ADE A 36 8.174 -2.129 2.929 1.00 0.00 SBOX C ATOM 943 C3' ADE A 36 -0.370 -3.139 -4.449 1.00 0.00 SBOX C ATOM 944 H3' ADE A 36 -6.286 -0.666 -6.822 1.00 0.00 SBOX ATOM 945 C2' ADE A 36 -4.052 4.682 -2.778 1.00 0.00 SBOX C ATOM 946 H2'' ADE A 36 15.954 -27.047 -5.726 1.00 0.00 SBOX ATOM 947 O2' ADE A 36 -1.802 4.036 2.307 1.00 0.00 SBOX O ATOM 948 H2' ADE A 36 -20.679 12.625 -9.413 1.00 0.00 SBOX ATOM 949 O3' ADE A 36 -0.570 2.992 -9.872 1.00 0.00 SBOX O ATOM 950 P ADE A 37 2.759 -1.965 3.758 1.00 0.00 SBOX P ATOM 951 O1P ADE A 37 1.276 -5.275 3.399 1.00 0.00 SBOX ATOM 952 O2P ADE A 37 -0.460 -0.954 -6.661 1.00 0.00 SBOX ATOM 953 O5' ADE A 37 1.007 3.346 8.175 1.00 0.00 SBOX O ATOM 954 C5' ADE A 37 -5.310 6.638 5.956 1.00 0.00 SBOX C ATOM 955 H5' ADE A 37 6.902 13.129 -3.514 1.00 0.00 SBOX ATOM 956 H5'' ADE A 37 22.935 9.753 13.992 1.00 0.00 SBOX ATOM 957 C4' ADE A 37 -2.638 -2.886 -8.187 1.00 0.00 SBOX C ATOM 958 H4' ADE A 37 -4.244 -2.491 -4.883 1.00 0.00 SBOX ATOM 959 O4' ADE A 37 1.960 1.612 -7.336 1.00 0.00 SBOX O ATOM 960 C1' ADE A 37 -6.251 0.680 7.941 1.00 0.00 SBOX C ATOM 961 H1' ADE A 37 -8.468 -7.223 7.743 1.00 0.00 SBOX ATOM 962 N9 ADE A 37 -4.768 9.887 2.181 1.00 0.00 SBOX N ATOM 963 C8 ADE A 37 8.782 -6.421 0.573 1.00 0.00 SBOX C ATOM 964 H8 ADE A 37 6.146 -2.507 -0.275 1.00 0.00 SBOX ATOM 965 N7 ADE A 37 -4.583 -1.164 6.497 1.00 0.00 SBOX N ATOM 966 C5 ADE A 37 -0.926 7.787 -6.652 1.00 0.00 SBOX C ATOM 967 C6 ADE A 37 -5.509 4.626 -4.395 1.00 0.00 SBOX C ATOM 968 N6 ADE A 37 -2.158 -3.598 6.654 1.00 0.00 SBOX N ATOM 969 H61 ADE A 37 -15.199 10.525 9.460 1.00 0.00 SBOX ATOM 970 H62 ADE A 37 17.424 36.547 -16.657 1.00 0.00 SBOX ATOM 971 N1 ADE A 37 -0.469 6.717 0.301 1.00 0.00 SBOX N ATOM 972 C2 ADE A 37 2.366 4.089 -0.973 1.00 0.00 SBOX C ATOM 973 H2 ADE A 37 -2.572 -0.336 9.344 1.00 0.00 SBOX ATOM 974 N3 ADE A 37 -9.872 -2.732 1.677 1.00 0.00 SBOX N ATOM 975 C4 ADE A 37 1.770 4.643 3.255 1.00 0.00 SBOX C ATOM 976 C3' ADE A 37 7.742 4.718 -4.796 1.00 0.00 SBOX C ATOM 977 H3' ADE A 37 -19.982 -13.252 7.141 1.00 0.00 SBOX ATOM 978 C2' ADE A 37 1.994 1.835 4.505 1.00 0.00 SBOX C ATOM 979 H2'' ADE A 37 -0.303 6.774 -5.502 1.00 0.00 SBOX ATOM 980 O2' ADE A 37 2.408 -0.650 5.196 1.00 0.00 SBOX O ATOM 981 H2' ADE A 37 4.135 -8.733 1.037 1.00 0.00 SBOX ATOM 982 O3' ADE A 37 2.106 -7.380 -0.247 1.00 0.00 SBOX O ATOM 983 P ADE A 38 2.518 3.473 -6.130 1.00 0.00 SBOX P ATOM 984 O1P ADE A 38 0.696 -4.044 0.167 1.00 0.00 SBOX ATOM 985 O2P ADE A 38 -5.671 3.236 2.716 1.00 0.00 SBOX ATOM 986 O5' ADE A 38 -1.284 -9.673 0.802 1.00 0.00 SBOX O ATOM 987 C5' ADE A 38 0.024 3.388 0.402 1.00 0.00 SBOX C ATOM 988 H5' ADE A 38 3.297 16.988 -12.559 1.00 0.00 SBOX ATOM 989 H5'' ADE A 38 -5.670 19.835 4.998 1.00 0.00 SBOX ATOM 990 C4' ADE A 38 0.848 -0.351 -9.973 1.00 0.00 SBOX C ATOM 991 H4' ADE A 38 3.038 -26.013 -7.843 1.00 0.00 SBOX ATOM 992 O4' ADE A 38 1.019 -3.184 -10.906 1.00 0.00 SBOX O ATOM 993 C1' ADE A 38 -2.497 -0.406 8.016 1.00 0.00 SBOX C ATOM 994 H1' ADE A 38 -11.462 4.256 0.716 1.00 0.00 SBOX ATOM 995 N9 ADE A 38 -1.049 -2.615 6.265 1.00 0.00 SBOX N ATOM 996 C8 ADE A 38 -4.921 -3.703 11.731 1.00 0.00 SBOX C ATOM 997 H8 ADE A 38 13.559 -9.879 0.225 1.00 0.00 SBOX ATOM 998 N7 ADE A 38 0.605 0.389 3.022 1.00 0.00 SBOX N ATOM 999 C5 ADE A 38 -7.084 -5.633 5.405 1.00 0.00 SBOX C ATOM 1000 C6 ADE A 38 4.859 3.405 0.486 1.00 0.00 SBOX C ATOM 1001 N6 ADE A 38 3.517 -4.370 6.223 1.00 0.00 SBOX N ATOM 1002 H61 ADE A 38 -6.818 -18.850 -9.263 1.00 0.00 SBOX ATOM 1003 H62 ADE A 38 22.166 -14.587 -6.356 1.00 0.00 SBOX ATOM 1004 N1 ADE A 38 -3.137 6.400 0.529 1.00 0.00 SBOX N ATOM 1005 C2 ADE A 38 -3.414 3.287 -1.510 1.00 0.00 SBOX C ATOM 1006 H2 ADE A 38 -7.548 2.568 -24.932 1.00 0.00 SBOX ATOM 1007 N3 ADE A 38 -2.125 -2.024 8.116 1.00 0.00 SBOX N ATOM 1008 C4 ADE A 38 0.293 4.057 5.632 1.00 0.00 SBOX C ATOM 1009 C3' ADE A 38 -2.456 3.042 1.239 1.00 0.00 SBOX C ATOM 1010 H3' ADE A 38 -4.129 21.695 47.172 1.00 0.00 SBOX ATOM 1011 C2' ADE A 38 -4.796 -3.227 -3.273 1.00 0.00 SBOX C ATOM 1012 H2'' ADE A 38 0.306 6.005 -0.016 1.00 0.00 SBOX ATOM 1013 O2' ADE A 38 2.051 11.513 -4.844 1.00 0.00 SBOX O ATOM 1014 H2' ADE A 38 -4.925 -9.431 -6.070 1.00 0.00 SBOX ATOM 1015 O3' ADE A 38 -1.308 3.015 -1.689 1.00 0.00 SBOX O ATOM 1016 P CYT A 39 -1.254 3.602 -0.276 1.00 0.00 SBOX P ATOM 1017 O1P CYT A 39 3.088 -2.498 -0.464 1.00 0.00 SBOX ATOM 1018 O2P CYT A 39 3.353 -8.046 -1.098 1.00 0.00 SBOX ATOM 1019 O5' CYT A 39 -6.439 -0.023 -5.087 1.00 0.00 SBOX O ATOM 1020 C5' CYT A 39 6.666 -2.884 -0.955 1.00 0.00 SBOX C ATOM 1021 H5' CYT A 39 11.099 -4.820 10.986 1.00 0.00 SBOX ATOM 1022 H5'' CYT A 39 -1.236 -17.847 0.644 1.00 0.00 SBOX ATOM 1023 C4' CYT A 39 10.753 4.972 -0.960 1.00 0.00 SBOX C ATOM 1024 H4' CYT A 39 -9.851 33.368 -18.365 1.00 0.00 SBOX ATOM 1025 O4' CYT A 39 -1.687 -5.800 7.398 1.00 0.00 SBOX O ATOM 1026 C1' CYT A 39 -1.423 1.250 12.000 1.00 0.00 SBOX C ATOM 1027 H1' CYT A 39 -13.783 18.936 29.446 1.00 0.00 SBOX ATOM 1028 N1 CYT A 39 -2.454 3.806 -6.788 1.00 0.00 SBOX N ATOM 1029 C6 CYT A 39 1.778 6.072 1.623 1.00 0.00 SBOX C ATOM 1030 H6 CYT A 39 22.915 18.238 -0.259 1.00 0.00 SBOX ATOM 1031 C5 CYT A 39 0.273 1.022 -6.135 1.00 0.00 SBOX C ATOM 1032 H5 CYT A 39 23.899 -2.565 6.122 1.00 0.00 SBOX ATOM 1033 C4 CYT A 39 6.261 -5.010 -0.696 1.00 0.00 SBOX C ATOM 1034 N4 CYT A 39 6.116 -0.781 -2.847 1.00 0.00 SBOX N ATOM 1035 H41 CYT A 39 23.326 18.778 3.190 1.00 0.00 SBOX ATOM 1036 H42 CYT A 39 1.755 2.160 3.488 1.00 0.00 SBOX ATOM 1037 N3 CYT A 39 -4.523 -6.220 6.835 1.00 0.00 SBOX N ATOM 1038 C2 CYT A 39 -5.121 -3.103 0.008 1.00 0.00 SBOX C ATOM 1039 O2 CYT A 39 -8.286 1.330 4.282 1.00 0.00 SBOX O ATOM 1040 C3' CYT A 39 -1.566 0.259 0.841 1.00 0.00 SBOX C ATOM 1041 H3' CYT A 39 -14.224 13.591 9.371 1.00 0.00 SBOX ATOM 1042 C2' CYT A 39 2.295 -0.342 -6.788 1.00 0.00 SBOX C ATOM 1043 H2'' CYT A 39 4.737 -21.634 -6.858 1.00 0.00 SBOX ATOM 1044 O2' CYT A 39 6.899 -5.026 8.484 1.00 0.00 SBOX O ATOM 1045 H2' CYT A 39 1.566 -12.432 6.305 1.00 0.00 SBOX ATOM 1046 O3' CYT A 39 -5.197 -1.186 -1.404 1.00 0.00 SBOX O ATOM 1047 P CYT A 40 -0.930 2.785 -4.096 1.00 0.00 SBOX P ATOM 1048 O1P CYT A 40 1.959 -4.163 0.744 1.00 0.00 SBOX ATOM 1049 O2P CYT A 40 -2.845 0.611 0.423 1.00 0.00 SBOX ATOM 1050 O5' CYT A 40 -4.321 -0.326 -2.114 1.00 0.00 SBOX O ATOM 1051 C5' CYT A 40 -0.413 6.213 -7.322 1.00 0.00 SBOX C ATOM 1052 H5' CYT A 40 0.566 -3.510 -6.654 1.00 0.00 SBOX ATOM 1053 H5'' CYT A 40 -12.116 -18.838 10.010 1.00 0.00 SBOX ATOM 1054 C4' CYT A 40 6.668 -4.992 -0.631 1.00 0.00 SBOX C ATOM 1055 H4' CYT A 40 -44.405 3.806 13.303 1.00 0.00 SBOX ATOM 1056 O4' CYT A 40 6.334 1.396 -3.689 1.00 0.00 SBOX O ATOM 1057 C1' CYT A 40 0.854 -2.423 -1.792 1.00 0.00 SBOX C ATOM 1058 H1' CYT A 40 -8.089 6.923 7.742 1.00 0.00 SBOX ATOM 1059 N1 CYT A 40 8.040 -3.237 -9.295 1.00 0.00 SBOX N ATOM 1060 C6 CYT A 40 -2.065 2.834 -1.054 1.00 0.00 SBOX C ATOM 1061 H6 CYT A 40 -12.389 5.984 4.026 1.00 0.00 SBOX ATOM 1062 C5 CYT A 40 1.578 7.880 2.367 1.00 0.00 SBOX C ATOM 1063 H5 CYT A 40 13.067 15.346 10.670 1.00 0.00 SBOX ATOM 1064 C4 CYT A 40 1.517 1.321 1.389 1.00 0.00 SBOX C ATOM 1065 N4 CYT A 40 -0.864 -1.249 -6.098 1.00 0.00 SBOX N ATOM 1066 H41 CYT A 40 -8.964 -6.578 0.268 1.00 0.00 SBOX ATOM 1067 H42 CYT A 40 -10.871 3.978 5.228 1.00 0.00 SBOX ATOM 1068 N3 CYT A 40 -2.447 0.582 -5.200 1.00 0.00 SBOX N ATOM 1069 C2 CYT A 40 -5.405 -14.297 -7.009 1.00 0.00 SBOX C ATOM 1070 O2 CYT A 40 4.037 -0.227 -1.447 1.00 0.00 SBOX O ATOM 1071 C3' CYT A 40 12.817 -3.307 -3.920 1.00 0.00 SBOX C ATOM 1072 H3' CYT A 40 -12.603 -1.608 -8.228 1.00 0.00 SBOX ATOM 1073 C2' CYT A 40 0.892 3.395 -3.841 1.00 0.00 SBOX C ATOM 1074 H2'' CYT A 40 -8.870 25.020 -15.198 1.00 0.00 SBOX ATOM 1075 O2' CYT A 40 3.149 -2.744 2.725 1.00 0.00 SBOX O ATOM 1076 H2' CYT A 40 11.767 10.172 3.246 1.00 0.00 SBOX ATOM 1077 O3' CYT A 40 -2.017 8.656 -0.500 1.00 0.00 SBOX O ATOM 1078 P CYT A 41 -3.857 6.281 0.195 1.00 0.00 SBOX P ATOM 1079 O1P CYT A 41 5.238 -3.298 -5.765 1.00 0.00 SBOX ATOM 1080 O2P CYT A 41 -2.122 -2.239 -3.408 1.00 0.00 SBOX ATOM 1081 O5' CYT A 41 -2.578 3.362 6.546 1.00 0.00 SBOX O ATOM 1082 C5' CYT A 41 -2.481 4.427 -2.524 1.00 0.00 SBOX C ATOM 1083 H5' CYT A 41 -3.765 11.598 8.299 1.00 0.00 SBOX ATOM 1084 H5'' CYT A 41 2.659 10.590 -2.779 1.00 0.00 SBOX ATOM 1085 C4' CYT A 41 2.590 -5.901 -1.307 1.00 0.00 SBOX C ATOM 1086 H4' CYT A 41 6.586 -11.262 -18.713 1.00 0.00 SBOX ATOM 1087 O4' CYT A 41 -3.654 -6.245 0.864 1.00 0.00 SBOX O ATOM 1088 C1' CYT A 41 -6.039 -5.599 -2.072 1.00 0.00 SBOX C ATOM 1089 H1' CYT A 41 9.967 14.131 3.960 1.00 0.00 SBOX ATOM 1090 N1 CYT A 41 5.618 -4.524 -2.631 1.00 0.00 SBOX N ATOM 1091 C6 CYT A 41 -0.508 -8.348 5.114 1.00 0.00 SBOX C ATOM 1092 H6 CYT A 41 13.811 -3.899 -3.487 1.00 0.00 SBOX ATOM 1093 C5 CYT A 41 1.173 -2.668 8.756 1.00 0.00 SBOX C ATOM 1094 H5 CYT A 41 -1.167 -11.876 4.295 1.00 0.00 SBOX ATOM 1095 C4 CYT A 41 -2.254 -1.853 -0.944 1.00 0.00 SBOX C ATOM 1096 N4 CYT A 41 -1.958 7.236 6.533 1.00 0.00 SBOX N ATOM 1097 H41 CYT A 41 13.844 7.501 -0.115 1.00 0.00 SBOX ATOM 1098 H42 CYT A 41 27.682 20.465 -6.327 1.00 0.00 SBOX ATOM 1099 N3 CYT A 41 1.140 1.677 -5.393 1.00 0.00 SBOX N ATOM 1100 C2 CYT A 41 6.789 8.048 -4.669 1.00 0.00 SBOX C ATOM 1101 O2 CYT A 41 2.125 -4.020 -3.881 1.00 0.00 SBOX O ATOM 1102 C3' CYT A 41 -1.096 4.726 0.590 1.00 0.00 SBOX C ATOM 1103 H3' CYT A 41 33.940 2.122 -15.760 1.00 0.00 SBOX ATOM 1104 C2' CYT A 41 -5.146 -3.371 3.556 1.00 0.00 SBOX C ATOM 1105 H2'' CYT A 41 -14.055 2.665 3.121 1.00 0.00 SBOX ATOM 1106 O2' CYT A 41 -3.928 -0.156 2.016 1.00 0.00 SBOX O ATOM 1107 H2' CYT A 41 -14.679 6.849 -4.606 1.00 0.00 SBOX ATOM 1108 O3' CYT A 41 -6.554 -3.103 2.350 1.00 0.00 SBOX O ATOM 1109 P GUA A 42 -2.862 -2.931 2.778 1.00 0.00 SBOX P ATOM 1110 O1P GUA A 42 1.135 4.865 6.855 1.00 0.00 SBOX ATOM 1111 O2P GUA A 42 -1.566 -2.624 0.125 1.00 0.00 SBOX ATOM 1112 O5' GUA A 42 1.031 -7.706 1.461 1.00 0.00 SBOX O ATOM 1113 C5' GUA A 42 1.944 7.351 12.271 1.00 0.00 SBOX C ATOM 1114 H5' GUA A 42 6.123 -33.592 -18.747 1.00 0.00 SBOX ATOM 1115 H5'' GUA A 42 -8.293 20.798 -14.855 1.00 0.00 SBOX ATOM 1116 C4' GUA A 42 -1.602 4.476 -0.604 1.00 0.00 SBOX C ATOM 1117 H4' GUA A 42 13.056 -6.587 -25.568 1.00 0.00 SBOX ATOM 1118 O4' GUA A 42 3.532 0.066 -3.806 1.00 0.00 SBOX O ATOM 1119 C1' GUA A 42 -4.829 -1.323 3.882 1.00 0.00 SBOX C ATOM 1120 H1' GUA A 42 19.930 8.477 -0.243 1.00 0.00 SBOX ATOM 1121 N9 GUA A 42 -0.381 2.596 1.132 1.00 0.00 SBOX N ATOM 1122 C8 GUA A 42 4.072 3.816 1.286 1.00 0.00 SBOX C ATOM 1123 H8 GUA A 42 -0.120 3.498 7.190 1.00 0.00 SBOX ATOM 1124 N7 GUA A 42 -1.104 -5.105 0.041 1.00 0.00 SBOX N ATOM 1125 C5 GUA A 42 9.835 -4.024 4.957 1.00 0.00 SBOX C ATOM 1126 C6 GUA A 42 -6.996 -2.989 6.339 1.00 0.00 SBOX C ATOM 1127 O6 GUA A 42 -4.502 -0.844 -6.832 1.00 0.00 SBOX O ATOM 1128 N1 GUA A 42 -2.057 -3.564 -0.063 1.00 0.00 SBOX N ATOM 1129 H1 GUA A 42 -8.866 -5.437 -3.266 1.00 0.00 SBOX ATOM 1130 C2 GUA A 42 -6.452 0.581 4.061 1.00 0.00 SBOX C ATOM 1131 N2 GUA A 42 -2.806 0.606 -4.015 1.00 0.00 SBOX N ATOM 1132 H21 GUA A 42 10.989 4.183 -10.448 1.00 0.00 SBOX ATOM 1133 H22 GUA A 42 4.842 12.114 -6.912 1.00 0.00 SBOX ATOM 1134 N3 GUA A 42 -2.550 6.460 -4.530 1.00 0.00 SBOX N ATOM 1135 C4 GUA A 42 -5.381 1.632 3.510 1.00 0.00 SBOX C ATOM 1136 C3' GUA A 42 -0.050 4.862 -1.375 1.00 0.00 SBOX C ATOM 1137 H3' GUA A 42 7.644 -19.842 -10.027 1.00 0.00 SBOX ATOM 1138 C2' GUA A 42 -7.074 -2.654 1.796 1.00 0.00 SBOX C ATOM 1139 H2'' GUA A 42 -8.261 -2.014 1.495 1.00 0.00 SBOX ATOM 1140 O2' GUA A 42 -3.084 -2.120 3.995 1.00 0.00 SBOX O ATOM 1141 H2' GUA A 42 21.999 -1.589 -23.965 1.00 0.00 SBOX ATOM 1142 O3' GUA A 42 -1.447 -2.502 0.274 1.00 0.00 SBOX O ATOM 1143 P GUA A 43 2.557 1.672 2.243 1.00 0.00 SBOX P ATOM 1144 O1P GUA A 43 -1.343 0.190 -3.802 1.00 0.00 SBOX ATOM 1145 O2P GUA A 43 -0.484 3.324 -2.373 1.00 0.00 SBOX ATOM 1146 O5' GUA A 43 -4.946 -0.222 2.695 1.00 0.00 SBOX O ATOM 1147 C5' GUA A 43 0.207 -9.551 -2.811 1.00 0.00 SBOX C ATOM 1148 H5' GUA A 43 5.323 -3.281 0.672 1.00 0.00 SBOX ATOM 1149 H5'' GUA A 43 -9.731 -8.614 -40.024 1.00 0.00 SBOX ATOM 1150 C4' GUA A 43 0.523 7.948 7.915 1.00 0.00 SBOX C ATOM 1151 H4' GUA A 43 -0.958 7.643 9.646 1.00 0.00 SBOX ATOM 1152 O4' GUA A 43 -6.041 0.853 7.240 1.00 0.00 SBOX O ATOM 1153 C1' GUA A 43 5.508 -1.487 -8.754 1.00 0.00 SBOX C ATOM 1154 H1' GUA A 43 -6.173 -27.994 9.277 1.00 0.00 SBOX ATOM 1155 N9 GUA A 43 3.477 0.659 -4.432 1.00 0.00 SBOX N ATOM 1156 C8 GUA A 43 -3.885 -4.991 3.871 1.00 0.00 SBOX C ATOM 1157 H8 GUA A 43 20.441 2.069 -8.627 1.00 0.00 SBOX ATOM 1158 N7 GUA A 43 -1.481 -0.006 -6.971 1.00 0.00 SBOX N ATOM 1159 C5 GUA A 43 2.889 1.176 3.883 1.00 0.00 SBOX C ATOM 1160 C6 GUA A 43 -7.839 4.642 1.266 1.00 0.00 SBOX C ATOM 1161 O6 GUA A 43 -5.762 2.538 -5.152 1.00 0.00 SBOX O ATOM 1162 N1 GUA A 43 -2.966 1.174 6.092 1.00 0.00 SBOX N ATOM 1163 H1 GUA A 43 -1.216 -7.769 -7.318 1.00 0.00 SBOX ATOM 1164 C2 GUA A 43 -1.955 0.738 -7.514 1.00 0.00 SBOX C ATOM 1165 N2 GUA A 43 1.408 1.271 -0.039 1.00 0.00 SBOX N ATOM 1166 H21 GUA A 43 13.820 -1.969 -17.990 1.00 0.00 SBOX ATOM 1167 H22 GUA A 43 6.408 -18.009 5.984 1.00 0.00 SBOX ATOM 1168 N3 GUA A 43 4.720 2.911 2.270 1.00 0.00 SBOX N ATOM 1169 C4 GUA A 43 4.241 -7.013 5.218 1.00 0.00 SBOX C ATOM 1170 C3' GUA A 43 8.399 -5.431 2.348 1.00 0.00 SBOX C ATOM 1171 H3' GUA A 43 2.629 -3.845 4.563 1.00 0.00 SBOX ATOM 1172 C2' GUA A 43 3.670 -1.298 -1.209 1.00 0.00 SBOX C ATOM 1173 H2'' GUA A 43 11.841 4.268 -1.232 1.00 0.00 SBOX ATOM 1174 O2' GUA A 43 -1.723 8.751 -2.033 1.00 0.00 SBOX O ATOM 1175 H2' GUA A 43 -24.107 23.549 37.660 1.00 0.00 SBOX ATOM 1176 O3' GUA A 43 -1.045 1.056 -1.841 1.00 0.00 SBOX O ATOM 1177 P CYT A 44 -3.898 1.040 0.399 1.00 0.00 SBOX P ATOM 1178 O1P CYT A 44 -1.742 -0.355 5.492 1.00 0.00 SBOX ATOM 1179 O2P CYT A 44 -0.898 3.283 2.229 1.00 0.00 SBOX ATOM 1180 O5' CYT A 44 -1.048 -6.720 3.450 1.00 0.00 SBOX O ATOM 1181 C5' CYT A 44 4.271 -4.275 -7.979 1.00 0.00 SBOX C ATOM 1182 H5' CYT A 44 16.716 -7.522 -8.002 1.00 0.00 SBOX ATOM 1183 H5'' CYT A 44 3.596 14.445 10.381 1.00 0.00 SBOX ATOM 1184 C4' CYT A 44 -4.267 5.321 -1.635 1.00 0.00 SBOX C ATOM 1185 H4' CYT A 44 7.267 2.598 -1.544 1.00 0.00 SBOX ATOM 1186 O4' CYT A 44 -3.659 2.316 1.014 1.00 0.00 SBOX O ATOM 1187 C1' CYT A 44 6.396 -3.491 3.111 1.00 0.00 SBOX C ATOM 1188 H1' CYT A 44 0.764 -5.511 -1.331 1.00 0.00 SBOX ATOM 1189 N1 CYT A 44 -6.679 1.974 -0.678 1.00 0.00 SBOX N ATOM 1190 C6 CYT A 44 -6.199 -2.988 0.850 1.00 0.00 SBOX C ATOM 1191 H6 CYT A 44 1.950 2.813 -13.290 1.00 0.00 SBOX ATOM 1192 C5 CYT A 44 -0.885 1.556 0.978 1.00 0.00 SBOX C ATOM 1193 H5 CYT A 44 -0.588 -0.127 10.375 1.00 0.00 SBOX ATOM 1194 C4 CYT A 44 5.382 2.363 -2.395 1.00 0.00 SBOX C ATOM 1195 N4 CYT A 44 -0.954 -1.426 1.623 1.00 0.00 SBOX N ATOM 1196 H41 CYT A 44 6.239 14.257 6.653 1.00 0.00 SBOX ATOM 1197 H42 CYT A 44 39.987 -0.354 -7.711 1.00 0.00 SBOX ATOM 1198 N3 CYT A 44 -1.886 2.965 0.793 1.00 0.00 SBOX N ATOM 1199 C2 CYT A 44 3.491 4.210 -0.882 1.00 0.00 SBOX C ATOM 1200 O2 CYT A 44 5.018 0.401 -0.215 1.00 0.00 SBOX O ATOM 1201 C3' CYT A 44 -5.386 0.966 1.731 1.00 0.00 SBOX C ATOM 1202 H3' CYT A 44 -8.500 1.594 1.432 1.00 0.00 SBOX ATOM 1203 C2' CYT A 44 -4.192 0.862 5.530 1.00 0.00 SBOX C ATOM 1204 H2'' CYT A 44 1.303 8.727 5.500 1.00 0.00 SBOX ATOM 1205 O2' CYT A 44 -1.936 -2.500 2.376 1.00 0.00 SBOX O ATOM 1206 H2' CYT A 44 0.866 5.711 12.359 1.00 0.00 SBOX ATOM 1207 O3' CYT A 44 -3.208 4.115 4.529 1.00 0.00 SBOX O ATOM 1208 P ADE A 45 -0.550 -1.880 2.120 1.00 0.00 SBOX P ATOM 1209 O1P ADE A 45 10.012 -0.506 1.514 1.00 0.00 SBOX ATOM 1210 O2P ADE A 45 3.961 -5.018 -0.361 1.00 0.00 SBOX ATOM 1211 O5' ADE A 45 -0.402 1.678 6.478 1.00 0.00 SBOX O ATOM 1212 C5' ADE A 45 -2.568 6.227 0.818 1.00 0.00 SBOX C ATOM 1213 H5' ADE A 45 -30.096 -7.986 -7.679 1.00 0.00 SBOX ATOM 1214 H5'' ADE A 45 15.152 -11.444 13.738 1.00 0.00 SBOX ATOM 1215 C4' ADE A 45 -3.179 -5.079 2.138 1.00 0.00 SBOX C ATOM 1216 H4' ADE A 45 -1.633 -3.991 -11.551 1.00 0.00 SBOX ATOM 1217 O4' ADE A 45 -2.474 -4.283 10.880 1.00 0.00 SBOX O ATOM 1218 C1' ADE A 45 -2.101 1.041 6.456 1.00 0.00 SBOX C ATOM 1219 H1' ADE A 45 5.290 18.558 20.149 1.00 0.00 SBOX ATOM 1220 N9 ADE A 45 0.343 2.304 2.383 1.00 0.00 SBOX N ATOM 1221 C8 ADE A 45 7.337 3.830 -8.174 1.00 0.00 SBOX C ATOM 1222 H8 ADE A 45 0.438 19.986 -4.889 1.00 0.00 SBOX ATOM 1223 N7 ADE A 45 -4.578 -0.066 -8.107 1.00 0.00 SBOX N ATOM 1224 C5 ADE A 45 0.939 -0.052 1.288 1.00 0.00 SBOX C ATOM 1225 C6 ADE A 45 3.227 -4.321 0.534 1.00 0.00 SBOX C ATOM 1226 N6 ADE A 45 0.273 3.723 -2.171 1.00 0.00 SBOX N ATOM 1227 H61 ADE A 45 -9.094 5.957 15.196 1.00 0.00 SBOX ATOM 1228 H62 ADE A 45 -9.748 2.214 6.022 1.00 0.00 SBOX ATOM 1229 N1 ADE A 45 8.118 7.265 -4.548 1.00 0.00 SBOX N ATOM 1230 C2 ADE A 45 0.683 -1.087 2.094 1.00 0.00 SBOX C ATOM 1231 H2 ADE A 45 6.840 -2.984 -11.492 1.00 0.00 SBOX ATOM 1232 N3 ADE A 45 -1.459 3.753 4.941 1.00 0.00 SBOX N ATOM 1233 C4 ADE A 45 -1.710 -1.670 -11.195 1.00 0.00 SBOX C ATOM 1234 C3' ADE A 45 1.895 1.694 3.625 1.00 0.00 SBOX C ATOM 1235 H3' ADE A 45 -16.577 -13.198 19.235 1.00 0.00 SBOX ATOM 1236 C2' ADE A 45 7.422 1.468 1.452 1.00 0.00 SBOX C ATOM 1237 H2'' ADE A 45 -7.770 -4.141 2.244 1.00 0.00 SBOX ATOM 1238 O2' ADE A 45 -4.927 -1.687 -0.489 1.00 0.00 SBOX O ATOM 1239 H2' ADE A 45 0.298 4.505 -1.652 1.00 0.00 SBOX ATOM 1240 O3' ADE A 45 -2.145 -0.633 -4.082 1.00 0.00 SBOX O ATOM 1241 P ADE A 46 -2.928 -3.170 -8.677 1.00 0.00 SBOX P ATOM 1242 O1P ADE A 46 -0.025 -4.181 -8.223 1.00 0.00 SBOX ATOM 1243 O2P ADE A 46 1.379 8.304 3.711 1.00 0.00 SBOX ATOM 1244 O5' ADE A 46 -2.106 -5.708 -3.538 1.00 0.00 SBOX O ATOM 1245 C5' ADE A 46 -2.912 3.244 0.909 1.00 0.00 SBOX C ATOM 1246 H5' ADE A 46 -14.262 -22.883 7.216 1.00 0.00 SBOX ATOM 1247 H5'' ADE A 46 2.057 4.818 8.335 1.00 0.00 SBOX ATOM 1248 C4' ADE A 46 -7.224 0.186 0.162 1.00 0.00 SBOX C ATOM 1249 H4' ADE A 46 -9.008 -3.233 -4.855 1.00 0.00 SBOX ATOM 1250 O4' ADE A 46 2.203 -1.976 -0.936 1.00 0.00 SBOX O ATOM 1251 C1' ADE A 46 2.978 -6.559 0.665 1.00 0.00 SBOX C ATOM 1252 H1' ADE A 46 -7.842 13.337 8.818 1.00 0.00 SBOX ATOM 1253 N9 ADE A 46 -3.021 5.927 0.631 1.00 0.00 SBOX N ATOM 1254 C8 ADE A 46 -0.867 2.592 -6.420 1.00 0.00 SBOX C ATOM 1255 H8 ADE A 46 9.578 -1.579 15.429 1.00 0.00 SBOX ATOM 1256 N7 ADE A 46 1.592 1.535 1.164 1.00 0.00 SBOX N ATOM 1257 C5 ADE A 46 6.551 0.010 0.283 1.00 0.00 SBOX C ATOM 1258 C6 ADE A 46 -1.495 3.549 -4.717 1.00 0.00 SBOX C ATOM 1259 N6 ADE A 46 4.769 -4.371 6.796 1.00 0.00 SBOX N ATOM 1260 H61 ADE A 46 1.881 -5.042 -0.294 1.00 0.00 SBOX ATOM 1261 H62 ADE A 46 15.689 -31.783 -5.436 1.00 0.00 SBOX ATOM 1262 N1 ADE A 46 -0.709 -0.687 -0.921 1.00 0.00 SBOX N ATOM 1263 C2 ADE A 46 6.193 -3.301 3.863 1.00 0.00 SBOX C ATOM 1264 H2 ADE A 46 3.396 3.626 23.430 1.00 0.00 SBOX ATOM 1265 N3 ADE A 46 7.785 5.565 5.905 1.00 0.00 SBOX N ATOM 1266 C4 ADE A 46 -8.149 -3.066 -0.344 1.00 0.00 SBOX C ATOM 1267 C3' ADE A 46 4.344 -1.757 3.116 1.00 0.00 SBOX C ATOM 1268 H3' ADE A 46 6.784 -9.543 22.086 1.00 0.00 SBOX ATOM 1269 C2' ADE A 46 6.932 0.623 1.998 1.00 0.00 SBOX C ATOM 1270 H2'' ADE A 46 4.152 -11.321 -11.039 1.00 0.00 SBOX ATOM 1271 O2' ADE A 46 5.444 -3.873 -0.887 1.00 0.00 SBOX O ATOM 1272 H2' ADE A 46 7.908 14.593 14.236 1.00 0.00 SBOX ATOM 1273 O3' ADE A 46 1.655 -9.357 5.089 1.00 0.00 SBOX O ATOM 1274 P CYT A 47 3.073 -0.057 -2.502 1.00 0.00 SBOX P ATOM 1275 O1P CYT A 47 -2.367 5.708 -5.184 1.00 0.00 SBOX ATOM 1276 O2P CYT A 47 2.354 0.706 3.108 1.00 0.00 SBOX ATOM 1277 O5' CYT A 47 -4.169 -4.943 3.386 1.00 0.00 SBOX O ATOM 1278 C5' CYT A 47 1.973 4.999 0.005 1.00 0.00 SBOX C ATOM 1279 H5' CYT A 47 13.124 37.595 -16.038 1.00 0.00 SBOX ATOM 1280 H5'' CYT A 47 26.815 -2.574 13.299 1.00 0.00 SBOX ATOM 1281 C4' CYT A 47 2.329 2.562 -8.345 1.00 0.00 SBOX C ATOM 1282 H4' CYT A 47 -9.966 -4.127 -12.470 1.00 0.00 SBOX ATOM 1283 O4' CYT A 47 2.090 -0.357 -4.209 1.00 0.00 SBOX O ATOM 1284 C1' CYT A 47 -3.418 -2.920 -2.828 1.00 0.00 SBOX C ATOM 1285 H1' CYT A 47 -3.459 7.595 -9.287 1.00 0.00 SBOX ATOM 1286 N1 CYT A 47 3.207 2.887 -3.110 1.00 0.00 SBOX N ATOM 1287 C6 CYT A 47 -8.846 -6.586 -0.826 1.00 0.00 SBOX C ATOM 1288 H6 CYT A 47 28.439 -27.489 -27.510 1.00 0.00 SBOX ATOM 1289 C5 CYT A 47 -0.235 -9.055 0.586 1.00 0.00 SBOX C ATOM 1290 H5 CYT A 47 1.955 -11.027 -2.142 1.00 0.00 SBOX ATOM 1291 C4 CYT A 47 2.893 5.827 1.051 1.00 0.00 SBOX C ATOM 1292 N4 CYT A 47 -1.901 -6.801 -2.347 1.00 0.00 SBOX N ATOM 1293 H41 CYT A 47 -20.460 -4.573 26.446 1.00 0.00 SBOX ATOM 1294 H42 CYT A 47 4.647 18.911 -1.936 1.00 0.00 SBOX ATOM 1295 N3 CYT A 47 4.670 -0.302 -9.298 1.00 0.00 SBOX N ATOM 1296 C2 CYT A 47 -3.130 8.828 -1.963 1.00 0.00 SBOX C ATOM 1297 O2 CYT A 47 -1.231 9.916 9.830 1.00 0.00 SBOX O ATOM 1298 C3' CYT A 47 1.510 -5.593 -6.446 1.00 0.00 SBOX C ATOM 1299 H3' CYT A 47 20.920 17.933 14.856 1.00 0.00 SBOX ATOM 1300 C2' CYT A 47 -2.478 2.331 -2.072 1.00 0.00 SBOX C ATOM 1301 H2'' CYT A 47 3.393 7.633 -13.107 1.00 0.00 SBOX ATOM 1302 O2' CYT A 47 8.164 5.471 -1.460 1.00 0.00 SBOX O ATOM 1303 H2' CYT A 47 -0.413 11.840 -22.956 1.00 0.00 SBOX ATOM 1304 O3' CYT A 47 1.703 8.936 -0.132 1.00 0.00 SBOX O ATOM 1305 P CYT A 48 -1.236 -6.577 1.617 1.00 0.00 SBOX P ATOM 1306 O1P CYT A 48 -1.893 2.665 2.374 1.00 0.00 SBOX ATOM 1307 O2P CYT A 48 -7.579 -2.607 -7.807 1.00 0.00 SBOX ATOM 1308 O5' CYT A 48 -6.286 -1.952 3.594 1.00 0.00 SBOX O ATOM 1309 C5' CYT A 48 0.112 -3.946 -1.401 1.00 0.00 SBOX C ATOM 1310 H5' CYT A 48 10.443 7.554 -12.622 1.00 0.00 SBOX ATOM 1311 H5'' CYT A 48 -6.786 15.322 1.476 1.00 0.00 SBOX ATOM 1312 C4' CYT A 48 -0.471 -1.606 5.731 1.00 0.00 SBOX C ATOM 1313 H4' CYT A 48 3.164 0.846 -0.444 1.00 0.00 SBOX ATOM 1314 O4' CYT A 48 -2.757 -3.409 5.360 1.00 0.00 SBOX O ATOM 1315 C1' CYT A 48 -6.978 -7.681 -1.543 1.00 0.00 SBOX C ATOM 1316 H1' CYT A 48 -3.880 -13.272 2.750 1.00 0.00 SBOX ATOM 1317 N1 CYT A 48 -7.076 6.309 -6.599 1.00 0.00 SBOX N ATOM 1318 C6 CYT A 48 9.642 1.149 1.353 1.00 0.00 SBOX C ATOM 1319 H6 CYT A 48 20.581 -3.389 -7.618 1.00 0.00 SBOX ATOM 1320 C5 CYT A 48 -5.241 -4.524 2.049 1.00 0.00 SBOX C ATOM 1321 H5 CYT A 48 -4.645 13.835 -22.816 1.00 0.00 SBOX ATOM 1322 C4 CYT A 48 3.500 -4.856 -2.688 1.00 0.00 SBOX C ATOM 1323 N4 CYT A 48 0.746 -9.013 2.984 1.00 0.00 SBOX N ATOM 1324 H41 CYT A 48 -23.226 -2.391 17.253 1.00 0.00 SBOX ATOM 1325 H42 CYT A 48 -19.035 10.113 9.874 1.00 0.00 SBOX ATOM 1326 N3 CYT A 48 1.870 -1.953 0.126 1.00 0.00 SBOX N ATOM 1327 C2 CYT A 48 6.733 1.466 -2.216 1.00 0.00 SBOX C ATOM 1328 O2 CYT A 48 -5.305 -7.064 6.779 1.00 0.00 SBOX O ATOM 1329 C3' CYT A 48 -1.319 -6.206 -0.395 1.00 0.00 SBOX C ATOM 1330 H3' CYT A 48 -0.035 -6.078 -5.956 1.00 0.00 SBOX ATOM 1331 C2' CYT A 48 -4.124 3.455 -5.913 1.00 0.00 SBOX C ATOM 1332 H2'' CYT A 48 3.037 3.758 5.538 1.00 0.00 SBOX ATOM 1333 O2' CYT A 48 -9.287 1.889 -2.427 1.00 0.00 SBOX O ATOM 1334 H2' CYT A 48 -0.193 -17.259 -3.306 1.00 0.00 SBOX ATOM 1335 O3' CYT A 48 -0.917 -2.472 2.169 1.00 0.00 SBOX O ATOM 1336 P ADE A 49 -2.958 -2.422 2.319 1.00 0.00 SBOX P ATOM 1337 O1P ADE A 49 -3.060 0.048 1.349 1.00 0.00 SBOX ATOM 1338 O2P ADE A 49 -5.651 -8.114 -1.617 1.00 0.00 SBOX ATOM 1339 O5' ADE A 49 0.836 -9.541 0.398 1.00 0.00 SBOX O ATOM 1340 C5' ADE A 49 -8.782 -2.055 -1.169 1.00 0.00 SBOX C ATOM 1341 H5' ADE A 49 -13.294 -9.320 -0.075 1.00 0.00 SBOX ATOM 1342 H5'' ADE A 49 -8.629 4.166 -0.261 1.00 0.00 SBOX ATOM 1343 C4' ADE A 49 3.417 -10.274 5.944 1.00 0.00 SBOX C ATOM 1344 H4' ADE A 49 3.462 -4.103 2.704 1.00 0.00 SBOX ATOM 1345 O4' ADE A 49 -1.973 5.440 -0.632 1.00 0.00 SBOX O ATOM 1346 C1' ADE A 49 1.184 -5.227 -4.902 1.00 0.00 SBOX C ATOM 1347 H1' ADE A 49 2.098 -3.305 -2.153 1.00 0.00 SBOX ATOM 1348 N9 ADE A 49 0.717 2.609 -6.285 1.00 0.00 SBOX N ATOM 1349 C8 ADE A 49 4.679 4.088 -8.444 1.00 0.00 SBOX C ATOM 1350 H8 ADE A 49 3.496 14.598 9.350 1.00 0.00 SBOX ATOM 1351 N7 ADE A 49 -1.839 3.417 -3.229 1.00 0.00 SBOX N ATOM 1352 C5 ADE A 49 -7.858 -2.053 4.606 1.00 0.00 SBOX C ATOM 1353 C6 ADE A 49 -3.226 -11.558 2.286 1.00 0.00 SBOX C ATOM 1354 N6 ADE A 49 -7.902 2.942 5.276 1.00 0.00 SBOX N ATOM 1355 H61 ADE A 49 -25.030 -19.670 -13.678 1.00 0.00 SBOX ATOM 1356 H62 ADE A 49 -6.222 2.585 -9.142 1.00 0.00 SBOX ATOM 1357 N1 ADE A 49 0.574 -5.169 1.028 1.00 0.00 SBOX N ATOM 1358 C2 ADE A 49 5.816 -2.700 2.178 1.00 0.00 SBOX C ATOM 1359 H2 ADE A 49 10.027 -5.975 0.377 1.00 0.00 SBOX ATOM 1360 N3 ADE A 49 -1.932 -1.962 7.456 1.00 0.00 SBOX N ATOM 1361 C4 ADE A 49 -1.531 -2.872 -3.532 1.00 0.00 SBOX C ATOM 1362 C3' ADE A 49 -2.045 2.427 -4.864 1.00 0.00 SBOX C ATOM 1363 H3' ADE A 49 4.975 -12.185 25.328 1.00 0.00 SBOX ATOM 1364 C2' ADE A 49 -9.540 -1.389 0.769 1.00 0.00 SBOX C ATOM 1365 H2'' ADE A 49 8.200 20.838 -37.176 1.00 0.00 SBOX ATOM 1366 O2' ADE A 49 2.696 8.227 -3.760 1.00 0.00 SBOX O ATOM 1367 H2' ADE A 49 -11.892 -3.538 -0.877 1.00 0.00 SBOX ATOM 1368 O3' ADE A 49 4.375 3.145 -3.047 1.00 0.00 SBOX O ATOM 1369 P GUA A 50 -0.659 5.400 -0.922 1.00 0.00 SBOX P ATOM 1370 O1P GUA A 50 0.254 5.144 1.001 1.00 0.00 SBOX ATOM 1371 O2P GUA A 50 1.246 -0.017 -3.072 1.00 0.00 SBOX ATOM 1372 O5' GUA A 50 -2.530 1.692 2.427 1.00 0.00 SBOX O ATOM 1373 C5' GUA A 50 -2.697 5.555 -1.022 1.00 0.00 SBOX C ATOM 1374 H5' GUA A 50 -11.131 -12.389 -6.669 1.00 0.00 SBOX ATOM 1375 H5'' GUA A 50 6.014 -7.738 11.740 1.00 0.00 SBOX ATOM 1376 C4' GUA A 50 3.680 -2.970 2.265 1.00 0.00 SBOX C ATOM 1377 H4' GUA A 50 2.524 -17.459 17.820 1.00 0.00 SBOX ATOM 1378 O4' GUA A 50 5.227 -0.063 0.645 1.00 0.00 SBOX O ATOM 1379 C1' GUA A 50 -1.929 3.222 5.800 1.00 0.00 SBOX C ATOM 1380 H1' GUA A 50 -9.432 5.654 5.072 1.00 0.00 SBOX ATOM 1381 N9 GUA A 50 5.710 -0.258 -0.667 1.00 0.00 SBOX N ATOM 1382 C8 GUA A 50 0.822 -1.774 5.317 1.00 0.00 SBOX C ATOM 1383 H8 GUA A 50 -11.387 0.068 20.062 1.00 0.00 SBOX ATOM 1384 N7 GUA A 50 0.196 0.899 0.081 1.00 0.00 SBOX N ATOM 1385 C5 GUA A 50 2.303 -0.766 -11.057 1.00 0.00 SBOX C ATOM 1386 C6 GUA A 50 -2.611 -3.759 0.641 1.00 0.00 SBOX C ATOM 1387 O6 GUA A 50 -4.764 -2.361 2.371 1.00 0.00 SBOX O ATOM 1388 N1 GUA A 50 1.237 2.897 6.306 1.00 0.00 SBOX N ATOM 1389 H1 GUA A 50 -0.937 4.043 8.610 1.00 0.00 SBOX ATOM 1390 C2 GUA A 50 3.237 -2.034 1.176 1.00 0.00 SBOX C ATOM 1391 N2 GUA A 50 -0.343 -1.309 4.085 1.00 0.00 SBOX N ATOM 1392 H21 GUA A 50 -21.901 -19.019 21.987 1.00 0.00 SBOX ATOM 1393 H22 GUA A 50 -6.970 -0.731 7.669 1.00 0.00 SBOX ATOM 1394 N3 GUA A 50 -1.990 -5.287 4.356 1.00 0.00 SBOX N ATOM 1395 C4 GUA A 50 -9.860 0.899 -2.501 1.00 0.00 SBOX C ATOM 1396 C3' GUA A 50 -3.872 7.603 -3.226 1.00 0.00 SBOX C ATOM 1397 H3' GUA A 50 16.927 -9.794 18.278 1.00 0.00 SBOX ATOM 1398 C2' GUA A 50 1.263 -0.276 -7.333 1.00 0.00 SBOX C ATOM 1399 H2'' GUA A 50 -8.377 28.244 15.994 1.00 0.00 SBOX ATOM 1400 O2' GUA A 50 0.353 -2.007 2.751 1.00 0.00 SBOX O ATOM 1401 H2' GUA A 50 5.742 -9.240 -15.791 1.00 0.00 SBOX ATOM 1402 O3' GUA A 50 -2.145 -8.718 2.895 1.00 0.00 SBOX O ATOM 1403 P ADE A 51 3.227 1.037 3.276 1.00 0.00 SBOX P ATOM 1404 O1P ADE A 51 -4.267 -2.133 3.737 1.00 0.00 SBOX ATOM 1405 O2P ADE A 51 2.128 3.492 -1.035 1.00 0.00 SBOX ATOM 1406 O5' ADE A 51 3.671 -5.681 -1.702 1.00 0.00 SBOX O ATOM 1407 C5' ADE A 51 -1.032 -2.562 -2.315 1.00 0.00 SBOX C ATOM 1408 H5' ADE A 51 12.265 6.049 0.994 1.00 0.00 SBOX ATOM 1409 H5'' ADE A 51 16.130 -13.040 22.010 1.00 0.00 SBOX ATOM 1410 C4' ADE A 51 6.795 -2.624 -3.547 1.00 0.00 SBOX C ATOM 1411 H4' ADE A 51 21.231 -10.311 5.414 1.00 0.00 SBOX ATOM 1412 O4' ADE A 51 2.718 3.268 3.327 1.00 0.00 SBOX O ATOM 1413 C1' ADE A 51 4.340 1.580 -1.518 1.00 0.00 SBOX C ATOM 1414 H1' ADE A 51 7.807 -30.715 22.251 1.00 0.00 SBOX ATOM 1415 N9 ADE A 51 -5.217 6.165 -2.989 1.00 0.00 SBOX N ATOM 1416 C8 ADE A 51 -5.394 4.598 -1.639 1.00 0.00 SBOX C ATOM 1417 H8 ADE A 51 -12.651 -2.922 -5.130 1.00 0.00 SBOX ATOM 1418 N7 ADE A 51 -4.240 -2.959 -1.284 1.00 0.00 SBOX N ATOM 1419 C5 ADE A 51 4.303 9.365 -8.495 1.00 0.00 SBOX C ATOM 1420 C6 ADE A 51 -2.468 0.838 -3.459 1.00 0.00 SBOX C ATOM 1421 N6 ADE A 51 7.477 -6.939 1.972 1.00 0.00 SBOX N ATOM 1422 H61 ADE A 51 -4.888 -15.580 -14.295 1.00 0.00 SBOX ATOM 1423 H62 ADE A 51 -0.646 -12.845 18.284 1.00 0.00 SBOX ATOM 1424 N1 ADE A 51 -2.237 2.716 -0.916 1.00 0.00 SBOX N ATOM 1425 C2 ADE A 51 -4.213 -1.442 5.430 1.00 0.00 SBOX C ATOM 1426 H2 ADE A 51 1.801 4.358 -0.039 1.00 0.00 SBOX ATOM 1427 N3 ADE A 51 -2.246 4.039 4.001 1.00 0.00 SBOX N ATOM 1428 C4 ADE A 51 -10.448 -3.433 -2.006 1.00 0.00 SBOX C ATOM 1429 C3' ADE A 51 1.981 -1.472 -0.683 1.00 0.00 SBOX C ATOM 1430 H3' ADE A 51 14.728 -1.198 29.019 1.00 0.00 SBOX ATOM 1431 C2' ADE A 51 6.046 -0.254 -7.294 1.00 0.00 SBOX C ATOM 1432 H2'' ADE A 51 -1.472 9.391 0.372 1.00 0.00 SBOX ATOM 1433 O2' ADE A 51 -2.569 2.623 -0.358 1.00 0.00 SBOX O ATOM 1434 H2' ADE A 51 -13.395 10.701 -16.531 1.00 0.00 SBOX ATOM 1435 O3' ADE A 51 1.424 3.724 -2.274 1.00 0.00 SBOX O ATOM 1436 P ADE A 52 -1.782 -7.591 1.447 1.00 0.00 SBOX P ATOM 1437 O1P ADE A 52 4.662 -1.383 0.355 1.00 0.00 SBOX ATOM 1438 O2P ADE A 52 -6.418 8.633 -1.915 1.00 0.00 SBOX ATOM 1439 O5' ADE A 52 -1.497 2.360 3.823 1.00 0.00 SBOX O ATOM 1440 C5' ADE A 52 -0.465 -4.863 7.278 1.00 0.00 SBOX C ATOM 1441 H5' ADE A 52 12.016 -5.586 4.370 1.00 0.00 SBOX ATOM 1442 H5'' ADE A 52 -10.876 33.265 13.928 1.00 0.00 SBOX ATOM 1443 C4' ADE A 52 -0.385 3.132 0.854 1.00 0.00 SBOX C ATOM 1444 H4' ADE A 52 -9.897 12.659 20.128 1.00 0.00 SBOX ATOM 1445 O4' ADE A 52 3.451 6.332 -3.818 1.00 0.00 SBOX O ATOM 1446 C1' ADE A 52 -0.115 3.122 6.355 1.00 0.00 SBOX C ATOM 1447 H1' ADE A 52 5.855 17.971 -4.689 1.00 0.00 SBOX ATOM 1448 N9 ADE A 52 -3.752 4.747 -2.214 1.00 0.00 SBOX N ATOM 1449 C8 ADE A 52 -1.821 0.212 -1.891 1.00 0.00 SBOX C ATOM 1450 H8 ADE A 52 2.761 -1.428 25.467 1.00 0.00 SBOX ATOM 1451 N7 ADE A 52 -1.188 -3.182 0.143 1.00 0.00 SBOX N ATOM 1452 C5 ADE A 52 3.125 10.563 -7.828 1.00 0.00 SBOX C ATOM 1453 C6 ADE A 52 0.383 -3.939 -6.628 1.00 0.00 SBOX C ATOM 1454 N6 ADE A 52 -1.426 -4.292 -3.204 1.00 0.00 SBOX N ATOM 1455 H61 ADE A 52 -8.990 -1.489 -6.177 1.00 0.00 SBOX ATOM 1456 H62 ADE A 52 -8.646 -7.992 -3.342 1.00 0.00 SBOX ATOM 1457 N1 ADE A 52 -3.638 0.552 -0.296 1.00 0.00 SBOX N ATOM 1458 C2 ADE A 52 4.168 4.100 4.597 1.00 0.00 SBOX C ATOM 1459 H2 ADE A 52 1.028 7.055 12.270 1.00 0.00 SBOX ATOM 1460 N3 ADE A 52 -2.366 -2.123 -5.733 1.00 0.00 SBOX N ATOM 1461 C4 ADE A 52 -1.027 -0.472 9.811 1.00 0.00 SBOX C ATOM 1462 C3' ADE A 52 4.471 7.909 0.144 1.00 0.00 SBOX C ATOM 1463 H3' ADE A 52 -1.758 -10.529 38.898 1.00 0.00 SBOX ATOM 1464 C2' ADE A 52 -8.046 5.130 -1.869 1.00 0.00 SBOX C ATOM 1465 H2'' ADE A 52 -1.575 -3.546 -2.634 1.00 0.00 SBOX ATOM 1466 O2' ADE A 52 1.301 7.352 -0.886 1.00 0.00 SBOX O ATOM 1467 H2' ADE A 52 18.133 -13.272 6.568 1.00 0.00 SBOX ATOM 1468 O3' ADE A 52 -2.806 3.668 -0.165 1.00 0.00 SBOX O ATOM 1469 P ADE A 53 2.893 -0.523 -2.949 1.00 0.00 SBOX P ATOM 1470 O1P ADE A 53 -6.483 0.535 -5.682 1.00 0.00 SBOX ATOM 1471 O2P ADE A 53 -1.047 1.742 2.370 1.00 0.00 SBOX ATOM 1472 O5' ADE A 53 -4.917 1.274 1.910 1.00 0.00 SBOX O ATOM 1473 C5' ADE A 53 -7.643 7.409 4.338 1.00 0.00 SBOX C ATOM 1474 H5' ADE A 53 -1.578 11.403 15.373 1.00 0.00 SBOX ATOM 1475 H5'' ADE A 53 -0.939 -12.132 3.852 1.00 0.00 SBOX ATOM 1476 C4' ADE A 53 0.539 7.169 5.929 1.00 0.00 SBOX C ATOM 1477 H4' ADE A 53 -14.840 -1.057 21.843 1.00 0.00 SBOX ATOM 1478 O4' ADE A 53 2.871 5.157 -0.346 1.00 0.00 SBOX O ATOM 1479 C1' ADE A 53 6.620 5.721 1.103 1.00 0.00 SBOX C ATOM 1480 H1' ADE A 53 11.787 -1.278 9.727 1.00 0.00 SBOX ATOM 1481 N9 ADE A 53 -5.590 -0.260 -3.663 1.00 0.00 SBOX N ATOM 1482 C8 ADE A 53 3.217 -0.775 1.560 1.00 0.00 SBOX C ATOM 1483 H8 ADE A 53 10.367 -7.236 -1.617 1.00 0.00 SBOX ATOM 1484 N7 ADE A 53 -0.634 0.997 -3.243 1.00 0.00 SBOX N ATOM 1485 C5 ADE A 53 -2.705 4.502 3.496 1.00 0.00 SBOX C ATOM 1486 C6 ADE A 53 -1.863 2.564 -4.953 1.00 0.00 SBOX C ATOM 1487 N6 ADE A 53 -1.264 1.028 -3.620 1.00 0.00 SBOX N ATOM 1488 H61 ADE A 53 -6.102 -11.003 27.475 1.00 0.00 SBOX ATOM 1489 H62 ADE A 53 -14.761 6.066 -20.410 1.00 0.00 SBOX ATOM 1490 N1 ADE A 53 -2.001 1.900 -0.702 1.00 0.00 SBOX N ATOM 1491 C2 ADE A 53 0.879 -2.463 -3.351 1.00 0.00 SBOX C ATOM 1492 H2 ADE A 53 -18.475 12.147 -14.446 1.00 0.00 SBOX ATOM 1493 N3 ADE A 53 -3.637 -1.738 2.140 1.00 0.00 SBOX N ATOM 1494 C4 ADE A 53 -4.254 2.567 8.239 1.00 0.00 SBOX C ATOM 1495 C3' ADE A 53 -0.761 -1.340 -4.870 1.00 0.00 SBOX C ATOM 1496 H3' ADE A 53 -6.665 -3.088 -23.678 1.00 0.00 SBOX ATOM 1497 C2' ADE A 53 2.829 1.588 -6.447 1.00 0.00 SBOX C ATOM 1498 H2'' ADE A 53 9.042 23.264 6.381 1.00 0.00 SBOX ATOM 1499 O2' ADE A 53 0.143 -3.798 8.910 1.00 0.00 SBOX O ATOM 1500 H2' ADE A 53 2.610 -42.503 -3.329 1.00 0.00 SBOX ATOM 1501 O3' ADE A 53 -4.191 2.281 -1.523 1.00 0.00 SBOX O ATOM 1502 P URA A 54 -2.948 4.256 -6.718 1.00 0.00 SBOX P ATOM 1503 O1P URA A 54 0.520 -0.951 -1.173 1.00 0.00 SBOX ATOM 1504 O2P URA A 54 -4.117 5.754 2.063 1.00 0.00 SBOX ATOM 1505 O5' URA A 54 2.423 0.427 -4.477 1.00 0.00 SBOX O ATOM 1506 C5' URA A 54 -1.002 -9.441 -2.464 1.00 0.00 SBOX C ATOM 1507 H5' URA A 54 -8.852 -14.861 4.394 1.00 0.00 SBOX ATOM 1508 H5'' URA A 54 -11.175 31.248 0.625 1.00 0.00 SBOX ATOM 1509 C4' URA A 54 3.790 -2.039 -0.534 1.00 0.00 SBOX C ATOM 1510 H4' URA A 54 -5.650 9.134 -11.330 1.00 0.00 SBOX ATOM 1511 O4' URA A 54 2.699 1.649 3.541 1.00 0.00 SBOX O ATOM 1512 C1' URA A 54 -1.968 0.638 0.463 1.00 0.00 SBOX C ATOM 1513 H1' URA A 54 -1.231 4.951 -0.410 1.00 0.00 SBOX ATOM 1514 N1 URA A 54 4.080 0.146 0.509 1.00 0.00 SBOX N ATOM 1515 C6 URA A 54 -6.058 8.394 -5.720 1.00 0.00 SBOX C ATOM 1516 H6 URA A 54 -2.845 9.838 -7.884 1.00 0.00 SBOX ATOM 1517 C5 URA A 54 -3.057 0.577 -0.545 1.00 0.00 SBOX C ATOM 1518 H5 URA A 54 -2.310 8.086 -4.178 1.00 0.00 SBOX ATOM 1519 C4 URA A 54 -2.613 -6.845 4.613 1.00 0.00 SBOX C ATOM 1520 O4 URA A 54 -7.308 1.835 4.799 1.00 0.00 SBOX O ATOM 1521 N3 URA A 54 -4.906 1.558 5.399 1.00 0.00 SBOX N ATOM 1522 H3 URA A 54 -6.338 -2.070 -2.011 1.00 0.00 SBOX ATOM 1523 C2 URA A 54 9.663 -2.849 0.617 1.00 0.00 SBOX C ATOM 1524 O2 URA A 54 -2.930 5.286 -10.016 1.00 0.00 SBOX O ATOM 1525 C3' URA A 54 1.077 0.423 7.919 1.00 0.00 SBOX C ATOM 1526 H3' URA A 54 -4.723 7.308 4.498 1.00 0.00 SBOX ATOM 1527 C2' URA A 54 -1.032 -0.576 2.747 1.00 0.00 SBOX C ATOM 1528 H2'' URA A 54 9.628 0.514 14.427 1.00 0.00 SBOX ATOM 1529 O2' URA A 54 7.022 6.262 1.309 1.00 0.00 SBOX O ATOM 1530 H2' URA A 54 -17.498 -20.500 -18.480 1.00 0.00 SBOX ATOM 1531 O3' URA A 54 4.308 3.066 -7.914 1.00 0.00 SBOX O ATOM 1532 P GUA A 55 1.024 -0.079 1.256 1.00 0.00 SBOX P ATOM 1533 O1P GUA A 55 -0.288 0.942 4.390 1.00 0.00 SBOX ATOM 1534 O2P GUA A 55 1.944 2.897 5.560 1.00 0.00 SBOX ATOM 1535 O5' GUA A 55 3.285 -2.202 -0.719 1.00 0.00 SBOX O ATOM 1536 C5' GUA A 55 0.490 -7.952 5.974 1.00 0.00 SBOX C ATOM 1537 H5' GUA A 55 20.048 10.089 -11.143 1.00 0.00 SBOX ATOM 1538 H5'' GUA A 55 -30.539 -29.468 -24.635 1.00 0.00 SBOX ATOM 1539 C4' GUA A 55 -5.033 7.308 7.209 1.00 0.00 SBOX C ATOM 1540 H4' GUA A 55 0.196 18.302 -5.915 1.00 0.00 SBOX ATOM 1541 O4' GUA A 55 1.536 -0.856 1.555 1.00 0.00 SBOX O ATOM 1542 C1' GUA A 55 7.611 -0.016 3.269 1.00 0.00 SBOX C ATOM 1543 H1' GUA A 55 -0.206 -17.459 1.481 1.00 0.00 SBOX ATOM 1544 N9 GUA A 55 -9.049 4.020 -2.389 1.00 0.00 SBOX N ATOM 1545 C8 GUA A 55 3.835 8.128 -1.229 1.00 0.00 SBOX C ATOM 1546 H8 GUA A 55 -24.246 -0.209 2.452 1.00 0.00 SBOX ATOM 1547 N7 GUA A 55 1.422 -5.149 -1.744 1.00 0.00 SBOX N ATOM 1548 C5 GUA A 55 3.489 -2.886 1.464 1.00 0.00 SBOX C ATOM 1549 C6 GUA A 55 -1.799 -1.684 0.574 1.00 0.00 SBOX C ATOM 1550 O6 GUA A 55 1.265 -2.233 3.366 1.00 0.00 SBOX O ATOM 1551 N1 GUA A 55 -0.105 -4.473 0.058 1.00 0.00 SBOX N ATOM 1552 H1 GUA A 55 -20.552 -0.072 1.606 1.00 0.00 SBOX ATOM 1553 C2 GUA A 55 -5.038 -3.195 -4.522 1.00 0.00 SBOX C ATOM 1554 N2 GUA A 55 1.556 3.689 -0.127 1.00 0.00 SBOX N ATOM 1555 H21 GUA A 55 -7.421 3.219 -12.381 1.00 0.00 SBOX ATOM 1556 H22 GUA A 55 -6.290 -16.033 32.760 1.00 0.00 SBOX ATOM 1557 N3 GUA A 55 4.279 1.036 -0.328 1.00 0.00 SBOX N ATOM 1558 C4 GUA A 55 -4.944 0.683 5.677 1.00 0.00 SBOX C ATOM 1559 C3' GUA A 55 -6.934 -0.307 0.571 1.00 0.00 SBOX C ATOM 1560 H3' GUA A 55 -19.542 20.901 -3.061 1.00 0.00 SBOX ATOM 1561 C2' GUA A 55 7.270 4.103 2.940 1.00 0.00 SBOX C ATOM 1562 H2'' GUA A 55 0.766 4.108 -7.330 1.00 0.00 SBOX ATOM 1563 O2' GUA A 55 4.707 5.191 1.623 1.00 0.00 SBOX O ATOM 1564 H2' GUA A 55 4.339 15.106 12.070 1.00 0.00 SBOX ATOM 1565 O3' GUA A 55 -2.508 -5.960 -3.086 1.00 0.00 SBOX O ATOM 1566 P GUA A 56 -1.050 3.874 2.939 1.00 0.00 SBOX P ATOM 1567 O1P GUA A 56 -2.296 2.715 -0.513 1.00 0.00 SBOX ATOM 1568 O2P GUA A 56 -2.307 1.861 2.106 1.00 0.00 SBOX ATOM 1569 O5' GUA A 56 3.648 4.400 -0.992 1.00 0.00 SBOX O ATOM 1570 C5' GUA A 56 -0.271 4.405 -5.335 1.00 0.00 SBOX C ATOM 1571 H5' GUA A 56 -12.989 19.023 -19.392 1.00 0.00 SBOX ATOM 1572 H5'' GUA A 56 16.450 -15.843 10.684 1.00 0.00 SBOX ATOM 1573 C4' GUA A 56 -9.498 -9.500 -2.376 1.00 0.00 SBOX C ATOM 1574 H4' GUA A 56 -11.506 0.411 -0.109 1.00 0.00 SBOX ATOM 1575 O4' GUA A 56 -5.699 -4.158 -7.810 1.00 0.00 SBOX O ATOM 1576 C1' GUA A 56 6.513 0.506 3.329 1.00 0.00 SBOX C ATOM 1577 H1' GUA A 56 -5.425 12.642 12.940 1.00 0.00 SBOX ATOM 1578 N9 GUA A 56 -1.919 -8.009 1.446 1.00 0.00 SBOX N ATOM 1579 C8 GUA A 56 2.791 2.886 -2.285 1.00 0.00 SBOX C ATOM 1580 H8 GUA A 56 -23.620 17.846 8.372 1.00 0.00 SBOX ATOM 1581 N7 GUA A 56 4.100 -5.375 -3.786 1.00 0.00 SBOX N ATOM 1582 C5 GUA A 56 -3.621 -7.309 0.500 1.00 0.00 SBOX C ATOM 1583 C6 GUA A 56 3.277 4.355 7.007 1.00 0.00 SBOX C ATOM 1584 O6 GUA A 56 0.964 4.439 3.305 1.00 0.00 SBOX O ATOM 1585 N1 GUA A 56 4.595 -4.122 -5.416 1.00 0.00 SBOX N ATOM 1586 H1 GUA A 56 10.815 -8.699 -4.133 1.00 0.00 SBOX ATOM 1587 C2 GUA A 56 0.105 -9.855 -5.089 1.00 0.00 SBOX C ATOM 1588 N2 GUA A 56 -0.917 0.450 -1.201 1.00 0.00 SBOX N ATOM 1589 H21 GUA A 56 -13.112 12.354 -4.243 1.00 0.00 SBOX ATOM 1590 H22 GUA A 56 2.745 7.101 -4.840 1.00 0.00 SBOX ATOM 1591 N3 GUA A 56 -3.216 4.059 3.749 1.00 0.00 SBOX N ATOM 1592 C4 GUA A 56 -6.582 -2.392 -5.765 1.00 0.00 SBOX C ATOM 1593 C3' GUA A 56 1.361 -5.877 3.364 1.00 0.00 SBOX C ATOM 1594 H3' GUA A 56 2.029 -1.263 3.668 1.00 0.00 SBOX ATOM 1595 C2' GUA A 56 7.773 -1.678 -2.595 1.00 0.00 SBOX C ATOM 1596 H2'' GUA A 56 13.762 23.411 -25.399 1.00 0.00 SBOX ATOM 1597 O2' GUA A 56 4.527 -3.156 1.803 1.00 0.00 SBOX O ATOM 1598 H2' GUA A 56 -23.344 1.603 -3.650 1.00 0.00 SBOX ATOM 1599 O3' GUA A 56 -3.611 -1.541 0.323 1.00 0.00 SBOX O ATOM 1600 P URA A 57 2.353 -3.410 -3.653 1.00 0.00 SBOX P ATOM 1601 O1P URA A 57 3.698 2.413 1.945 1.00 0.00 SBOX ATOM 1602 O2P URA A 57 -1.239 -7.152 -7.160 1.00 0.00 SBOX ATOM 1603 O5' URA A 57 -3.556 -3.510 -2.812 1.00 0.00 SBOX O ATOM 1604 C5' URA A 57 -3.888 -2.381 -4.458 1.00 0.00 SBOX C ATOM 1605 H5' URA A 57 2.246 -3.006 -1.851 1.00 0.00 SBOX ATOM 1606 H5'' URA A 57 -25.746 -31.550 -4.630 1.00 0.00 SBOX ATOM 1607 C4' URA A 57 7.172 0.665 1.442 1.00 0.00 SBOX C ATOM 1608 H4' URA A 57 -4.472 7.320 15.916 1.00 0.00 SBOX ATOM 1609 O4' URA A 57 5.168 -1.691 2.993 1.00 0.00 SBOX O ATOM 1610 C1' URA A 57 4.242 8.328 3.745 1.00 0.00 SBOX C ATOM 1611 H1' URA A 57 30.755 -9.272 -6.904 1.00 0.00 SBOX ATOM 1612 N1 URA A 57 6.939 4.497 -3.999 1.00 0.00 SBOX N ATOM 1613 C6 URA A 57 -1.160 -5.519 -2.408 1.00 0.00 SBOX C ATOM 1614 H6 URA A 57 6.129 -11.984 -11.610 1.00 0.00 SBOX ATOM 1615 C5 URA A 57 -9.721 1.135 1.524 1.00 0.00 SBOX C ATOM 1616 H5 URA A 57 27.441 24.652 2.251 1.00 0.00 SBOX ATOM 1617 C4 URA A 57 3.902 3.216 3.339 1.00 0.00 SBOX C ATOM 1618 O4 URA A 57 6.530 4.695 3.855 1.00 0.00 SBOX O ATOM 1619 N3 URA A 57 -1.932 6.071 2.047 1.00 0.00 SBOX N ATOM 1620 H3 URA A 57 -19.439 13.203 -5.886 1.00 0.00 SBOX ATOM 1621 C2 URA A 57 -2.703 0.435 -5.741 1.00 0.00 SBOX C ATOM 1622 O2 URA A 57 -6.947 -0.086 -4.562 1.00 0.00 SBOX O ATOM 1623 C3' URA A 57 -2.787 2.451 0.950 1.00 0.00 SBOX C ATOM 1624 H3' URA A 57 -21.718 0.932 17.230 1.00 0.00 SBOX ATOM 1625 C2' URA A 57 -7.924 -3.735 0.103 1.00 0.00 SBOX C ATOM 1626 H2'' URA A 57 22.385 -12.950 -13.947 1.00 0.00 SBOX ATOM 1627 O2' URA A 57 -2.983 4.968 1.491 1.00 0.00 SBOX O ATOM 1628 H2' URA A 57 25.682 14.896 13.675 1.00 0.00 SBOX ATOM 1629 O3' URA A 57 4.382 0.655 0.338 1.00 0.00 SBOX O ATOM 1630 P GUA A 58 1.270 0.437 1.341 1.00 0.00 SBOX P ATOM 1631 O1P GUA A 58 7.189 2.971 3.185 1.00 0.00 SBOX ATOM 1632 O2P GUA A 58 0.506 -6.905 4.574 1.00 0.00 SBOX ATOM 1633 O5' GUA A 58 8.540 1.490 2.451 1.00 0.00 SBOX O ATOM 1634 C5' GUA A 58 -5.488 -3.139 -3.115 1.00 0.00 SBOX C ATOM 1635 H5' GUA A 58 -5.356 -5.796 -3.511 1.00 0.00 SBOX ATOM 1636 H5'' GUA A 58 12.552 -4.978 28.449 1.00 0.00 SBOX ATOM 1637 C4' GUA A 58 -1.422 3.326 0.242 1.00 0.00 SBOX C ATOM 1638 H4' GUA A 58 10.525 -0.827 -9.645 1.00 0.00 SBOX ATOM 1639 O4' GUA A 58 -0.227 -4.003 -1.288 1.00 0.00 SBOX O ATOM 1640 C1' GUA A 58 3.432 -0.465 0.908 1.00 0.00 SBOX C ATOM 1641 H1' GUA A 58 7.852 -12.238 -1.426 1.00 0.00 SBOX ATOM 1642 N9 GUA A 58 3.867 -2.662 1.105 1.00 0.00 SBOX N ATOM 1643 C8 GUA A 58 12.675 -0.423 -4.073 1.00 0.00 SBOX C ATOM 1644 H8 GUA A 58 23.699 -3.843 -27.838 1.00 0.00 SBOX ATOM 1645 N7 GUA A 58 -2.611 -1.338 -0.687 1.00 0.00 SBOX N ATOM 1646 C5 GUA A 58 9.970 -0.391 0.475 1.00 0.00 SBOX C ATOM 1647 C6 GUA A 58 2.661 6.192 3.301 1.00 0.00 SBOX C ATOM 1648 O6 GUA A 58 -0.158 0.287 -0.396 1.00 0.00 SBOX O ATOM 1649 N1 GUA A 58 7.994 -1.124 -2.747 1.00 0.00 SBOX N ATOM 1650 H1 GUA A 58 3.491 -5.956 6.010 1.00 0.00 SBOX ATOM 1651 C2 GUA A 58 -4.219 1.691 3.835 1.00 0.00 SBOX C ATOM 1652 N2 GUA A 58 -4.585 3.284 6.301 1.00 0.00 SBOX N ATOM 1653 H21 GUA A 58 8.684 13.970 -1.187 1.00 0.00 SBOX ATOM 1654 H22 GUA A 58 -21.516 0.610 -5.780 1.00 0.00 SBOX ATOM 1655 N3 GUA A 58 -3.058 0.267 -2.307 1.00 0.00 SBOX N ATOM 1656 C4 GUA A 58 -8.968 2.297 4.480 1.00 0.00 SBOX C ATOM 1657 C3' GUA A 58 -4.110 -3.412 1.473 1.00 0.00 SBOX C ATOM 1658 H3' GUA A 58 10.735 -9.200 -5.809 1.00 0.00 SBOX ATOM 1659 C2' GUA A 58 11.848 -3.568 -3.843 1.00 0.00 SBOX C ATOM 1660 H2'' GUA A 58 6.669 1.326 1.027 1.00 0.00 SBOX ATOM 1661 O2' GUA A 58 -3.690 -5.445 -0.152 1.00 0.00 SBOX O ATOM 1662 H2' GUA A 58 -5.347 -0.578 -6.432 1.00 0.00 SBOX ATOM 1663 O3' GUA A 58 -0.394 -2.228 2.299 1.00 0.00 SBOX O ATOM 1664 P CYT A 59 1.668 -3.764 0.036 1.00 0.00 SBOX P ATOM 1665 O1P CYT A 59 -4.746 -2.718 4.974 1.00 0.00 SBOX ATOM 1666 O2P CYT A 59 -4.119 -5.747 -2.071 1.00 0.00 SBOX ATOM 1667 O5' CYT A 59 3.414 -3.103 1.281 1.00 0.00 SBOX O ATOM 1668 C5' CYT A 59 -0.549 -10.382 6.810 1.00 0.00 SBOX C ATOM 1669 H5' CYT A 59 26.940 9.995 19.742 1.00 0.00 SBOX ATOM 1670 H5'' CYT A 59 -9.075 5.352 -11.145 1.00 0.00 SBOX ATOM 1671 C4' CYT A 59 -3.357 4.049 2.581 1.00 0.00 SBOX C ATOM 1672 H4' CYT A 59 -23.091 19.104 -5.746 1.00 0.00 SBOX ATOM 1673 O4' CYT A 59 -7.678 -1.621 3.829 1.00 0.00 SBOX O ATOM 1674 C1' CYT A 59 -7.374 -5.177 -1.976 1.00 0.00 SBOX C ATOM 1675 H1' CYT A 59 -3.262 -18.016 13.138 1.00 0.00 SBOX ATOM 1676 N1 CYT A 59 5.355 -0.250 -3.994 1.00 0.00 SBOX N ATOM 1677 C6 CYT A 59 -1.155 -8.021 0.141 1.00 0.00 SBOX C ATOM 1678 H6 CYT A 59 -6.193 -10.045 10.989 1.00 0.00 SBOX ATOM 1679 C5 CYT A 59 -1.482 -2.675 -0.708 1.00 0.00 SBOX C ATOM 1680 H5 CYT A 59 -21.018 5.686 49.121 1.00 0.00 SBOX ATOM 1681 C4 CYT A 59 3.838 -9.057 4.557 1.00 0.00 SBOX C ATOM 1682 N4 CYT A 59 -0.893 3.573 3.505 1.00 0.00 SBOX N ATOM 1683 H41 CYT A 59 -5.209 -1.397 7.022 1.00 0.00 SBOX ATOM 1684 H42 CYT A 59 -10.217 24.314 3.455 1.00 0.00 SBOX ATOM 1685 N3 CYT A 59 6.739 0.359 -6.192 1.00 0.00 SBOX N ATOM 1686 C2 CYT A 59 -2.079 -4.336 -2.416 1.00 0.00 SBOX C ATOM 1687 O2 CYT A 59 -6.668 -3.094 -0.663 1.00 0.00 SBOX O ATOM 1688 C3' CYT A 59 6.512 2.735 0.580 1.00 0.00 SBOX C ATOM 1689 H3' CYT A 59 -14.164 15.151 -8.243 1.00 0.00 SBOX ATOM 1690 C2' CYT A 59 -1.938 7.901 -0.963 1.00 0.00 SBOX C ATOM 1691 H2'' CYT A 59 -6.006 -1.058 -9.346 1.00 0.00 SBOX ATOM 1692 O2' CYT A 59 -0.314 2.386 -4.160 1.00 0.00 SBOX O ATOM 1693 H2' CYT A 59 3.040 12.805 1.486 1.00 0.00 SBOX ATOM 1694 O3' CYT A 59 4.570 4.756 -10.663 1.00 0.00 SBOX O ATOM 1695 P CYT A 60 -2.059 -1.656 -4.121 1.00 0.00 SBOX P ATOM 1696 O1P CYT A 60 -0.625 5.136 -3.456 1.00 0.00 SBOX ATOM 1697 O2P CYT A 60 -0.747 -1.135 0.962 1.00 0.00 SBOX ATOM 1698 O5' CYT A 60 1.823 0.284 2.130 1.00 0.00 SBOX O ATOM 1699 C5' CYT A 60 -0.426 4.724 2.455 1.00 0.00 SBOX C ATOM 1700 H5' CYT A 60 29.513 -15.467 -4.985 1.00 0.00 SBOX ATOM 1701 H5'' CYT A 60 14.148 16.336 -0.094 1.00 0.00 SBOX ATOM 1702 C4' CYT A 60 6.992 -3.775 8.365 1.00 0.00 SBOX C ATOM 1703 H4' CYT A 60 6.799 -5.531 11.897 1.00 0.00 SBOX ATOM 1704 O4' CYT A 60 1.746 9.872 -3.782 1.00 0.00 SBOX O ATOM 1705 C1' CYT A 60 -2.617 -0.199 10.607 1.00 0.00 SBOX C ATOM 1706 H1' CYT A 60 -13.322 -5.665 -5.921 1.00 0.00 SBOX ATOM 1707 N1 CYT A 60 -7.856 -4.855 2.628 1.00 0.00 SBOX N ATOM 1708 C6 CYT A 60 -6.966 -1.380 -3.775 1.00 0.00 SBOX C ATOM 1709 H6 CYT A 60 7.652 -2.715 -16.773 1.00 0.00 SBOX ATOM 1710 C5 CYT A 60 -0.873 2.515 -3.826 1.00 0.00 SBOX C ATOM 1711 H5 CYT A 60 -7.214 -13.164 4.908 1.00 0.00 SBOX ATOM 1712 C4 CYT A 60 -3.343 5.662 -3.653 1.00 0.00 SBOX C ATOM 1713 N4 CYT A 60 1.283 -1.480 -5.055 1.00 0.00 SBOX N ATOM 1714 H41 CYT A 60 -0.557 -10.312 -31.749 1.00 0.00 SBOX ATOM 1715 H42 CYT A 60 -2.975 -6.902 2.033 1.00 0.00 SBOX ATOM 1716 N3 CYT A 60 3.791 4.330 1.075 1.00 0.00 SBOX N ATOM 1717 C2 CYT A 60 2.629 -0.766 1.248 1.00 0.00 SBOX C ATOM 1718 O2 CYT A 60 1.201 -6.580 7.167 1.00 0.00 SBOX O ATOM 1719 C3' CYT A 60 -3.864 -1.973 0.519 1.00 0.00 SBOX C ATOM 1720 H3' CYT A 60 -9.427 15.114 15.318 1.00 0.00 SBOX ATOM 1721 C2' CYT A 60 9.711 -2.423 -3.671 1.00 0.00 SBOX C ATOM 1722 H2'' CYT A 60 12.882 -12.414 -12.641 1.00 0.00 SBOX ATOM 1723 O2' CYT A 60 0.543 -5.273 0.055 1.00 0.00 SBOX O ATOM 1724 H2' CYT A 60 -39.071 14.389 6.511 1.00 0.00 SBOX ATOM 1725 O3' CYT A 60 -4.891 -5.623 1.761 1.00 0.00 SBOX O ATOM 1726 P ADE A 61 -0.457 0.884 -2.118 1.00 0.00 SBOX P ATOM 1727 O1P ADE A 61 5.795 3.281 -3.307 1.00 0.00 SBOX ATOM 1728 O2P ADE A 61 3.361 3.491 1.518 1.00 0.00 SBOX ATOM 1729 O5' ADE A 61 -4.977 1.977 -1.398 1.00 0.00 SBOX O ATOM 1730 C5' ADE A 61 0.911 6.463 1.777 1.00 0.00 SBOX C ATOM 1731 H5' ADE A 61 18.327 -35.425 4.363 1.00 0.00 SBOX ATOM 1732 H5'' ADE A 61 7.420 22.456 -15.515 1.00 0.00 SBOX ATOM 1733 C4' ADE A 61 2.599 -2.534 -0.842 1.00 0.00 SBOX C ATOM 1734 H4' ADE A 61 0.600 -12.481 0.544 1.00 0.00 SBOX ATOM 1735 O4' ADE A 61 -0.693 -3.014 -11.313 1.00 0.00 SBOX O ATOM 1736 C1' ADE A 61 -4.734 -6.895 11.214 1.00 0.00 SBOX C ATOM 1737 H1' ADE A 61 19.436 -12.010 -2.122 1.00 0.00 SBOX ATOM 1738 N9 ADE A 61 0.266 1.943 -3.458 1.00 0.00 SBOX N ATOM 1739 C8 ADE A 61 1.938 2.257 -0.957 1.00 0.00 SBOX C ATOM 1740 H8 ADE A 61 -13.888 10.132 -16.571 1.00 0.00 SBOX ATOM 1741 N7 ADE A 61 -1.347 2.943 6.395 1.00 0.00 SBOX N ATOM 1742 C5 ADE A 61 8.660 4.083 4.133 1.00 0.00 SBOX C ATOM 1743 C6 ADE A 61 -4.678 8.149 -3.754 1.00 0.00 SBOX C ATOM 1744 N6 ADE A 61 -4.294 -8.602 -5.921 1.00 0.00 SBOX N ATOM 1745 H61 ADE A 61 9.368 -8.050 -2.084 1.00 0.00 SBOX ATOM 1746 H62 ADE A 61 -24.518 -3.811 11.076 1.00 0.00 SBOX ATOM 1747 N1 ADE A 61 0.482 2.569 -0.331 1.00 0.00 SBOX N ATOM 1748 C2 ADE A 61 -1.064 -0.255 -3.535 1.00 0.00 SBOX C ATOM 1749 H2 ADE A 61 6.526 -28.258 23.525 1.00 0.00 SBOX ATOM 1750 N3 ADE A 61 -0.674 -6.623 -4.724 1.00 0.00 SBOX N ATOM 1751 C4 ADE A 61 1.641 -4.861 3.591 1.00 0.00 SBOX C ATOM 1752 C3' ADE A 61 -2.310 -0.987 3.147 1.00 0.00 SBOX C ATOM 1753 H3' ADE A 61 14.902 -6.079 -29.916 1.00 0.00 SBOX ATOM 1754 C2' ADE A 61 -0.398 -2.454 -4.940 1.00 0.00 SBOX C ATOM 1755 H2'' ADE A 61 -19.642 -14.816 19.310 1.00 0.00 SBOX ATOM 1756 O2' ADE A 61 -5.543 -4.124 -3.176 1.00 0.00 SBOX O ATOM 1757 H2' ADE A 61 -11.918 -0.399 -12.587 1.00 0.00 SBOX ATOM 1758 O3' ADE A 61 4.277 -3.919 -6.290 1.00 0.00 SBOX O ATOM 1759 P ADE A 62 0.340 0.033 -0.493 1.00 0.00 SBOX P ATOM 1760 O1P ADE A 62 -4.102 1.469 1.904 1.00 0.00 SBOX ATOM 1761 O2P ADE A 62 -3.974 0.398 -2.391 1.00 0.00 SBOX ATOM 1762 O5' ADE A 62 0.425 -8.424 -1.477 1.00 0.00 SBOX O ATOM 1763 C5' ADE A 62 4.121 -7.875 -2.606 1.00 0.00 SBOX C ATOM 1764 H5' ADE A 62 -17.466 -10.819 21.599 1.00 0.00 SBOX ATOM 1765 H5'' ADE A 62 18.443 -7.468 10.312 1.00 0.00 SBOX ATOM 1766 C4' ADE A 62 -6.693 4.877 0.439 1.00 0.00 SBOX C ATOM 1767 H4' ADE A 62 6.127 3.275 -18.321 1.00 0.00 SBOX ATOM 1768 O4' ADE A 62 -0.022 -0.719 -1.631 1.00 0.00 SBOX O ATOM 1769 C1' ADE A 62 2.360 0.268 -2.311 1.00 0.00 SBOX C ATOM 1770 H1' ADE A 62 5.717 15.572 -7.190 1.00 0.00 SBOX ATOM 1771 N9 ADE A 62 -7.144 3.905 -0.154 1.00 0.00 SBOX N ATOM 1772 C8 ADE A 62 -2.047 -1.950 -7.650 1.00 0.00 SBOX C ATOM 1773 H8 ADE A 62 -6.774 -2.291 -12.767 1.00 0.00 SBOX ATOM 1774 N7 ADE A 62 5.455 0.575 -2.333 1.00 0.00 SBOX N ATOM 1775 C5 ADE A 62 -8.904 -4.467 1.745 1.00 0.00 SBOX C ATOM 1776 C6 ADE A 62 -0.445 -3.410 -3.236 1.00 0.00 SBOX C ATOM 1777 N6 ADE A 62 -2.893 -4.528 0.164 1.00 0.00 SBOX N ATOM 1778 H61 ADE A 62 11.970 12.637 13.887 1.00 0.00 SBOX ATOM 1779 H62 ADE A 62 -10.522 11.906 -7.792 1.00 0.00 SBOX ATOM 1780 N1 ADE A 62 1.501 -3.017 0.451 1.00 0.00 SBOX N ATOM 1781 C2 ADE A 62 2.242 -10.952 5.172 1.00 0.00 SBOX C ATOM 1782 H2 ADE A 62 5.899 23.146 -16.609 1.00 0.00 SBOX ATOM 1783 N3 ADE A 62 9.897 5.562 2.483 1.00 0.00 SBOX N ATOM 1784 C4 ADE A 62 6.562 -0.840 4.787 1.00 0.00 SBOX C ATOM 1785 C3' ADE A 62 -7.985 -3.951 -1.713 1.00 0.00 SBOX C ATOM 1786 H3' ADE A 62 12.540 12.407 -17.178 1.00 0.00 SBOX ATOM 1787 C2' ADE A 62 -9.948 4.518 2.150 1.00 0.00 SBOX C ATOM 1788 H2'' ADE A 62 -4.183 6.792 -4.205 1.00 0.00 SBOX ATOM 1789 O2' ADE A 62 7.409 -2.404 6.251 1.00 0.00 SBOX O ATOM 1790 H2' ADE A 62 2.362 3.633 12.218 1.00 0.00 SBOX ATOM 1791 O3' ADE A 62 -3.628 -3.213 5.991 1.00 0.00 SBOX O ATOM 1792 P URA A 63 -0.648 -7.069 -0.211 1.00 0.00 SBOX P ATOM 1793 O1P URA A 63 10.444 1.181 -2.795 1.00 0.00 SBOX ATOM 1794 O2P URA A 63 -1.296 5.363 -1.722 1.00 0.00 SBOX ATOM 1795 O5' URA A 63 -2.190 0.952 5.310 1.00 0.00 SBOX O ATOM 1796 C5' URA A 63 1.488 2.370 5.384 1.00 0.00 SBOX C ATOM 1797 H5' URA A 63 3.922 16.908 14.203 1.00 0.00 SBOX ATOM 1798 H5'' URA A 63 -1.924 4.097 9.769 1.00 0.00 SBOX ATOM 1799 C4' URA A 63 -0.726 -0.810 -2.426 1.00 0.00 SBOX C ATOM 1800 H4' URA A 63 19.419 4.069 16.849 1.00 0.00 SBOX ATOM 1801 O4' URA A 63 3.045 5.385 2.656 1.00 0.00 SBOX O ATOM 1802 C1' URA A 63 5.329 4.799 3.679 1.00 0.00 SBOX C ATOM 1803 H1' URA A 63 13.211 14.617 6.678 1.00 0.00 SBOX ATOM 1804 N1 URA A 63 5.084 -5.588 7.944 1.00 0.00 SBOX N ATOM 1805 C6 URA A 63 -3.568 1.972 3.563 1.00 0.00 SBOX C ATOM 1806 H6 URA A 63 8.304 -14.259 -13.587 1.00 0.00 SBOX ATOM 1807 C5 URA A 63 -1.700 3.515 9.919 1.00 0.00 SBOX C ATOM 1808 H5 URA A 63 9.592 -3.047 14.198 1.00 0.00 SBOX ATOM 1809 C4 URA A 63 -2.954 -0.274 1.196 1.00 0.00 SBOX C ATOM 1810 O4 URA A 63 1.852 3.359 -1.897 1.00 0.00 SBOX O ATOM 1811 N3 URA A 63 -1.870 1.001 -6.253 1.00 0.00 SBOX N ATOM 1812 H3 URA A 63 -7.442 -2.773 -15.250 1.00 0.00 SBOX ATOM 1813 C2 URA A 63 6.527 1.385 0.900 1.00 0.00 SBOX C ATOM 1814 O2 URA A 63 4.337 4.664 -1.483 1.00 0.00 SBOX O ATOM 1815 C3' URA A 63 0.169 -1.450 3.841 1.00 0.00 SBOX C ATOM 1816 H3' URA A 63 -8.961 1.660 -8.164 1.00 0.00 SBOX ATOM 1817 C2' URA A 63 0.994 3.692 1.724 1.00 0.00 SBOX C ATOM 1818 H2'' URA A 63 17.713 6.630 9.442 1.00 0.00 SBOX ATOM 1819 O2' URA A 63 0.055 -4.510 6.288 1.00 0.00 SBOX O ATOM 1820 H2' URA A 63 4.276 10.588 -13.280 1.00 0.00 SBOX ATOM 1821 O3' URA A 63 -0.886 1.626 4.185 1.00 0.00 SBOX O ATOM 1822 P URA A 64 -2.630 -2.716 5.982 1.00 0.00 SBOX P ATOM 1823 O1P URA A 64 -3.571 4.347 -5.151 1.00 0.00 SBOX ATOM 1824 O2P URA A 64 1.351 -1.710 3.738 1.00 0.00 SBOX ATOM 1825 O5' URA A 64 9.600 -1.018 4.585 1.00 0.00 SBOX O ATOM 1826 C5' URA A 64 -0.358 -5.106 -2.483 1.00 0.00 SBOX C ATOM 1827 H5' URA A 64 13.219 -10.438 1.715 1.00 0.00 SBOX ATOM 1828 H5'' URA A 64 -0.186 18.452 -0.200 1.00 0.00 SBOX ATOM 1829 C4' URA A 64 -5.081 2.093 -3.185 1.00 0.00 SBOX C ATOM 1830 H4' URA A 64 -6.151 -3.468 -13.995 1.00 0.00 SBOX ATOM 1831 O4' URA A 64 -0.234 2.306 2.306 1.00 0.00 SBOX O ATOM 1832 C1' URA A 64 -0.401 -4.215 -0.703 1.00 0.00 SBOX C ATOM 1833 H1' URA A 64 2.670 -6.564 22.537 1.00 0.00 SBOX ATOM 1834 N1 URA A 64 -8.906 -1.673 0.194 1.00 0.00 SBOX N ATOM 1835 C6 URA A 64 -3.292 6.885 -0.825 1.00 0.00 SBOX C ATOM 1836 H6 URA A 64 5.580 19.989 15.301 1.00 0.00 SBOX ATOM 1837 C5 URA A 64 -3.361 -3.025 1.998 1.00 0.00 SBOX C ATOM 1838 H5 URA A 64 -8.005 16.127 -5.391 1.00 0.00 SBOX ATOM 1839 C4 URA A 64 -0.653 0.424 -3.046 1.00 0.00 SBOX C ATOM 1840 O4 URA A 64 -1.892 0.788 -7.480 1.00 0.00 SBOX O ATOM 1841 N3 URA A 64 -5.822 2.169 -6.367 1.00 0.00 SBOX N ATOM 1842 H3 URA A 64 4.416 13.356 -16.569 1.00 0.00 SBOX ATOM 1843 C2 URA A 64 2.088 -2.640 2.240 1.00 0.00 SBOX C ATOM 1844 O2 URA A 64 2.654 4.572 -4.482 1.00 0.00 SBOX O ATOM 1845 C3' URA A 64 2.493 2.328 -0.998 1.00 0.00 SBOX C ATOM 1846 H3' URA A 64 -3.292 -2.430 -21.779 1.00 0.00 SBOX ATOM 1847 C2' URA A 64 -2.213 -0.026 6.427 1.00 0.00 SBOX C ATOM 1848 H2'' URA A 64 5.316 -3.411 -8.179 1.00 0.00 SBOX ATOM 1849 O2' URA A 64 -2.964 -4.663 2.987 1.00 0.00 SBOX O ATOM 1850 H2' URA A 64 -20.199 23.835 30.782 1.00 0.00 SBOX ATOM 1851 O3' URA A 64 4.042 -2.420 -7.125 1.00 0.00 SBOX O ATOM 1852 P CYT A 65 0.104 0.663 2.969 1.00 0.00 SBOX P ATOM 1853 O1P CYT A 65 -9.669 2.143 -2.559 1.00 0.00 SBOX ATOM 1854 O2P CYT A 65 0.263 -9.069 0.735 1.00 0.00 SBOX ATOM 1855 O5' CYT A 65 8.734 -0.190 4.134 1.00 0.00 SBOX O ATOM 1856 C5' CYT A 65 -4.082 6.555 -0.791 1.00 0.00 SBOX C ATOM 1857 H5' CYT A 65 -4.161 3.244 -5.901 1.00 0.00 SBOX ATOM 1858 H5'' CYT A 65 -12.421 6.603 -11.096 1.00 0.00 SBOX ATOM 1859 C4' CYT A 65 3.754 0.868 5.654 1.00 0.00 SBOX C ATOM 1860 H4' CYT A 65 0.968 19.375 2.545 1.00 0.00 SBOX ATOM 1861 O4' CYT A 65 -0.665 -3.683 2.064 1.00 0.00 SBOX O ATOM 1862 C1' CYT A 65 2.368 1.836 -4.252 1.00 0.00 SBOX C ATOM 1863 H1' CYT A 65 3.754 3.695 -5.187 1.00 0.00 SBOX ATOM 1864 N1 CYT A 65 2.439 -5.659 -3.071 1.00 0.00 SBOX N ATOM 1865 C6 CYT A 65 -4.058 12.754 -2.001 1.00 0.00 SBOX C ATOM 1866 H6 CYT A 65 2.845 9.901 3.415 1.00 0.00 SBOX ATOM 1867 C5 CYT A 65 -5.183 1.575 -12.523 1.00 0.00 SBOX C ATOM 1868 H5 CYT A 65 10.337 -27.332 -9.426 1.00 0.00 SBOX ATOM 1869 C4 CYT A 65 -2.189 0.672 -0.140 1.00 0.00 SBOX C ATOM 1870 N4 CYT A 65 -6.672 6.682 -3.800 1.00 0.00 SBOX N ATOM 1871 H41 CYT A 65 0.632 -14.367 14.297 1.00 0.00 SBOX ATOM 1872 H42 CYT A 65 1.134 3.521 -6.546 1.00 0.00 SBOX ATOM 1873 N3 CYT A 65 7.635 -4.912 -0.070 1.00 0.00 SBOX N ATOM 1874 C2 CYT A 65 -6.661 -4.224 -3.184 1.00 0.00 SBOX C ATOM 1875 O2 CYT A 65 0.393 -1.809 -1.221 1.00 0.00 SBOX O ATOM 1876 C3' CYT A 65 -7.829 -1.226 -4.784 1.00 0.00 SBOX C ATOM 1877 H3' CYT A 65 -25.940 6.128 27.468 1.00 0.00 SBOX ATOM 1878 C2' CYT A 65 1.783 -1.792 -1.942 1.00 0.00 SBOX C ATOM 1879 H2'' CYT A 65 0.443 -3.457 -12.305 1.00 0.00 SBOX ATOM 1880 O2' CYT A 65 -4.349 -1.159 -0.958 1.00 0.00 SBOX O ATOM 1881 H2' CYT A 65 4.452 0.468 14.206 1.00 0.00 SBOX ATOM 1882 O3' CYT A 65 -6.342 4.946 -2.355 1.00 0.00 SBOX O ATOM 1883 P CYT A 66 -1.423 -0.743 -2.623 1.00 0.00 SBOX P ATOM 1884 O1P CYT A 66 12.750 -0.660 -6.128 1.00 0.00 SBOX ATOM 1885 O2P CYT A 66 -5.892 0.249 9.366 1.00 0.00 SBOX ATOM 1886 O5' CYT A 66 8.703 -3.801 7.306 1.00 0.00 SBOX O ATOM 1887 C5' CYT A 66 0.657 2.301 6.210 1.00 0.00 SBOX C ATOM 1888 H5' CYT A 66 9.021 5.123 -2.399 1.00 0.00 SBOX ATOM 1889 H5'' CYT A 66 11.305 -18.355 -3.588 1.00 0.00 SBOX ATOM 1890 C4' CYT A 66 1.324 0.146 -6.655 1.00 0.00 SBOX C ATOM 1891 H4' CYT A 66 -17.787 7.302 8.096 1.00 0.00 SBOX ATOM 1892 O4' CYT A 66 -5.134 -0.005 -1.828 1.00 0.00 SBOX O ATOM 1893 C1' CYT A 66 -5.407 -1.246 4.108 1.00 0.00 SBOX C ATOM 1894 H1' CYT A 66 7.857 15.579 3.251 1.00 0.00 SBOX ATOM 1895 N1 CYT A 66 0.938 -0.631 1.299 1.00 0.00 SBOX N ATOM 1896 C6 CYT A 66 -0.402 -7.915 -3.165 1.00 0.00 SBOX C ATOM 1897 H6 CYT A 66 6.201 31.223 -12.591 1.00 0.00 SBOX ATOM 1898 C5 CYT A 66 3.901 -6.362 -0.631 1.00 0.00 SBOX C ATOM 1899 H5 CYT A 66 -30.171 -12.715 11.559 1.00 0.00 SBOX ATOM 1900 C4 CYT A 66 1.683 5.785 5.550 1.00 0.00 SBOX C ATOM 1901 N4 CYT A 66 1.378 2.891 -2.799 1.00 0.00 SBOX N ATOM 1902 H41 CYT A 66 10.396 -23.055 17.681 1.00 0.00 SBOX ATOM 1903 H42 CYT A 66 -24.531 -1.689 0.780 1.00 0.00 SBOX ATOM 1904 N3 CYT A 66 -5.483 8.989 -14.329 1.00 0.00 SBOX N ATOM 1905 C2 CYT A 66 -0.939 -2.945 0.242 1.00 0.00 SBOX C ATOM 1906 O2 CYT A 66 -1.140 2.162 -2.059 1.00 0.00 SBOX O ATOM 1907 C3' CYT A 66 -3.888 -2.468 2.530 1.00 0.00 SBOX C ATOM 1908 H3' CYT A 66 2.147 -16.016 5.745 1.00 0.00 SBOX ATOM 1909 C2' CYT A 66 -0.093 3.342 4.708 1.00 0.00 SBOX C ATOM 1910 H2'' CYT A 66 -1.689 5.414 11.881 1.00 0.00 SBOX ATOM 1911 O2' CYT A 66 1.009 -0.315 4.283 1.00 0.00 SBOX O ATOM 1912 H2' CYT A 66 10.114 -8.097 4.613 1.00 0.00 SBOX ATOM 1913 O3' CYT A 66 -0.328 5.247 1.417 1.00 0.00 SBOX O ATOM 1914 P URA A 67 0.170 2.061 -1.591 1.00 0.00 SBOX P ATOM 1915 O1P URA A 67 -4.152 0.681 -4.179 1.00 0.00 SBOX ATOM 1916 O2P URA A 67 4.897 -1.800 0.777 1.00 0.00 SBOX ATOM 1917 O5' URA A 67 -4.394 5.356 3.983 1.00 0.00 SBOX O ATOM 1918 C5' URA A 67 0.100 0.829 -7.372 1.00 0.00 SBOX C ATOM 1919 H5' URA A 67 -7.337 0.154 -3.950 1.00 0.00 SBOX ATOM 1920 H5'' URA A 67 15.561 -2.139 3.243 1.00 0.00 SBOX ATOM 1921 C4' URA A 67 12.207 2.232 6.492 1.00 0.00 SBOX C ATOM 1922 H4' URA A 67 -3.650 -4.662 10.221 1.00 0.00 SBOX ATOM 1923 O4' URA A 67 1.880 5.282 2.387 1.00 0.00 SBOX O ATOM 1924 C1' URA A 67 8.269 9.180 0.617 1.00 0.00 SBOX C ATOM 1925 H1' URA A 67 9.709 -17.411 5.016 1.00 0.00 SBOX ATOM 1926 N1 URA A 67 -4.263 7.341 -5.148 1.00 0.00 SBOX N ATOM 1927 C6 URA A 67 -2.672 2.055 -4.048 1.00 0.00 SBOX C ATOM 1928 H6 URA A 67 2.345 0.232 8.562 1.00 0.00 SBOX ATOM 1929 C5 URA A 67 3.906 -7.121 1.892 1.00 0.00 SBOX C ATOM 1930 H5 URA A 67 18.175 6.512 9.952 1.00 0.00 SBOX ATOM 1931 C4 URA A 67 -4.281 1.243 0.142 1.00 0.00 SBOX C ATOM 1932 O4 URA A 67 1.792 1.079 -6.809 1.00 0.00 SBOX O ATOM 1933 N3 URA A 67 -7.417 -3.280 4.800 1.00 0.00 SBOX N ATOM 1934 H3 URA A 67 -0.261 -24.445 -13.666 1.00 0.00 SBOX ATOM 1935 C2 URA A 67 -3.649 -5.328 -3.344 1.00 0.00 SBOX C ATOM 1936 O2 URA A 67 -4.537 -2.611 8.157 1.00 0.00 SBOX O ATOM 1937 C3' URA A 67 1.512 5.288 -2.996 1.00 0.00 SBOX C ATOM 1938 H3' URA A 67 -19.575 9.186 -16.477 1.00 0.00 SBOX ATOM 1939 C2' URA A 67 -2.666 4.918 0.025 1.00 0.00 SBOX C ATOM 1940 H2'' URA A 67 -2.261 2.054 0.624 1.00 0.00 SBOX ATOM 1941 O2' URA A 67 -1.392 2.955 9.255 1.00 0.00 SBOX O ATOM 1942 H2' URA A 67 22.442 -10.341 -26.513 1.00 0.00 SBOX ATOM 1943 O3' URA A 67 3.815 -1.977 -4.138 1.00 0.00 SBOX O ATOM 1944 P GUA A 68 2.641 5.483 -0.900 1.00 0.00 SBOX P ATOM 1945 O1P GUA A 68 3.171 -3.647 -4.081 1.00 0.00 SBOX ATOM 1946 O2P GUA A 68 -0.535 -4.914 -0.166 1.00 0.00 SBOX ATOM 1947 O5' GUA A 68 -4.012 4.844 2.182 1.00 0.00 SBOX O ATOM 1948 C5' GUA A 68 -6.302 -0.723 -4.222 1.00 0.00 SBOX C ATOM 1949 H5' GUA A 68 0.276 -28.824 1.890 1.00 0.00 SBOX ATOM 1950 H5'' GUA A 68 13.778 -3.294 -4.751 1.00 0.00 SBOX ATOM 1951 C4' GUA A 68 0.351 -1.063 -3.435 1.00 0.00 SBOX C ATOM 1952 H4' GUA A 68 7.337 -2.905 5.801 1.00 0.00 SBOX ATOM 1953 O4' GUA A 68 -0.217 -1.659 2.257 1.00 0.00 SBOX O ATOM 1954 C1' GUA A 68 1.148 -2.036 2.839 1.00 0.00 SBOX C ATOM 1955 H1' GUA A 68 4.409 17.130 13.996 1.00 0.00 SBOX ATOM 1956 N9 GUA A 68 -3.057 -2.952 4.857 1.00 0.00 SBOX N ATOM 1957 C8 GUA A 68 2.575 -7.598 4.829 1.00 0.00 SBOX C ATOM 1958 H8 GUA A 68 -5.167 4.347 27.805 1.00 0.00 SBOX ATOM 1959 N7 GUA A 68 -3.365 -0.278 3.298 1.00 0.00 SBOX N ATOM 1960 C5 GUA A 68 0.031 -5.064 4.197 1.00 0.00 SBOX C ATOM 1961 C6 GUA A 68 1.789 -0.333 -2.572 1.00 0.00 SBOX C ATOM 1962 O6 GUA A 68 2.233 2.123 -0.783 1.00 0.00 SBOX O ATOM 1963 N1 GUA A 68 1.656 0.175 -4.884 1.00 0.00 SBOX N ATOM 1964 H1 GUA A 68 4.195 -1.314 10.758 1.00 0.00 SBOX ATOM 1965 C2 GUA A 68 -2.362 -1.436 -2.910 1.00 0.00 SBOX C ATOM 1966 N2 GUA A 68 -0.920 -1.725 1.670 1.00 0.00 SBOX N ATOM 1967 H21 GUA A 68 -9.114 -11.164 24.485 1.00 0.00 SBOX ATOM 1968 H22 GUA A 68 11.246 13.949 -2.978 1.00 0.00 SBOX ATOM 1969 N3 GUA A 68 1.409 -1.217 2.170 1.00 0.00 SBOX N ATOM 1970 C4 GUA A 68 1.613 -0.582 1.037 1.00 0.00 SBOX C ATOM 1971 C3' GUA A 68 0.358 -3.046 -3.715 1.00 0.00 SBOX C ATOM 1972 H3' GUA A 68 -21.531 -47.864 9.807 1.00 0.00 SBOX ATOM 1973 C2' GUA A 68 0.727 -2.260 -1.640 1.00 0.00 SBOX C ATOM 1974 H2'' GUA A 68 -6.093 -8.582 4.844 1.00 0.00 SBOX ATOM 1975 O2' GUA A 68 6.173 -6.369 -6.348 1.00 0.00 SBOX O ATOM 1976 H2' GUA A 68 42.248 5.223 1.632 1.00 0.00 SBOX ATOM 1977 O3' GUA A 68 3.705 -2.833 2.817 1.00 0.00 SBOX O ATOM 1978 P CYT A 69 -0.552 -4.730 1.534 1.00 0.00 SBOX P ATOM 1979 O1P CYT A 69 0.129 -4.182 -5.567 1.00 0.00 SBOX ATOM 1980 O2P CYT A 69 -5.780 3.917 1.426 1.00 0.00 SBOX ATOM 1981 O5' CYT A 69 -0.998 -5.003 3.351 1.00 0.00 SBOX O ATOM 1982 C5' CYT A 69 1.893 3.214 -2.152 1.00 0.00 SBOX C ATOM 1983 H5' CYT A 69 12.291 -9.485 40.107 1.00 0.00 SBOX ATOM 1984 H5'' CYT A 69 -14.544 -9.145 -6.916 1.00 0.00 SBOX ATOM 1985 C4' CYT A 69 -9.850 3.358 -1.148 1.00 0.00 SBOX C ATOM 1986 H4' CYT A 69 -5.993 -12.657 -7.195 1.00 0.00 SBOX ATOM 1987 O4' CYT A 69 -3.059 -3.039 -1.119 1.00 0.00 SBOX O ATOM 1988 C1' CYT A 69 3.642 -2.958 4.452 1.00 0.00 SBOX C ATOM 1989 H1' CYT A 69 -0.930 -31.565 16.070 1.00 0.00 SBOX ATOM 1990 N1 CYT A 69 -2.142 1.283 -5.818 1.00 0.00 SBOX N ATOM 1991 C6 CYT A 69 -4.455 -3.797 2.053 1.00 0.00 SBOX C ATOM 1992 H6 CYT A 69 11.371 -10.752 32.342 1.00 0.00 SBOX ATOM 1993 C5 CYT A 69 -1.167 -1.670 -6.441 1.00 0.00 SBOX C ATOM 1994 H5 CYT A 69 -1.618 -10.339 -8.705 1.00 0.00 SBOX ATOM 1995 C4 CYT A 69 -5.028 4.992 4.034 1.00 0.00 SBOX C ATOM 1996 N4 CYT A 69 2.023 -1.649 4.377 1.00 0.00 SBOX N ATOM 1997 H41 CYT A 69 9.031 -3.216 17.637 1.00 0.00 SBOX ATOM 1998 H42 CYT A 69 11.256 3.360 8.587 1.00 0.00 SBOX ATOM 1999 N3 CYT A 69 5.416 -5.729 -4.829 1.00 0.00 SBOX N ATOM 2000 C2 CYT A 69 -5.323 -0.931 -4.857 1.00 0.00 SBOX C ATOM 2001 O2 CYT A 69 2.191 1.763 -3.000 1.00 0.00 SBOX O ATOM 2002 C3' CYT A 69 3.846 -2.017 -0.383 1.00 0.00 SBOX C ATOM 2003 H3' CYT A 69 -0.337 -21.294 1.903 1.00 0.00 SBOX ATOM 2004 C2' CYT A 69 0.595 2.860 1.351 1.00 0.00 SBOX C ATOM 2005 H2'' CYT A 69 10.113 -19.672 40.848 1.00 0.00 SBOX ATOM 2006 O2' CYT A 69 0.961 -0.903 6.068 1.00 0.00 SBOX O ATOM 2007 H2' CYT A 69 8.238 -6.291 14.432 1.00 0.00 SBOX ATOM 2008 O3' CYT A 69 6.062 5.414 -5.473 1.00 0.00 SBOX O ATOM 2009 P ADE A 70 -1.916 2.426 -5.358 1.00 0.00 SBOX P ATOM 2010 O1P ADE A 70 -2.248 -1.766 -2.372 1.00 0.00 SBOX ATOM 2011 O2P ADE A 70 1.896 -1.223 2.688 1.00 0.00 SBOX ATOM 2012 O5' ADE A 70 -0.789 4.630 -4.661 1.00 0.00 SBOX O ATOM 2013 C5' ADE A 70 -0.439 4.881 4.582 1.00 0.00 SBOX C ATOM 2014 H5' ADE A 70 4.061 -3.899 11.625 1.00 0.00 SBOX ATOM 2015 H5'' ADE A 70 -12.155 -2.391 -20.395 1.00 0.00 SBOX ATOM 2016 C4' ADE A 70 9.380 -1.403 1.520 1.00 0.00 SBOX C ATOM 2017 H4' ADE A 70 -3.275 15.775 6.621 1.00 0.00 SBOX ATOM 2018 O4' ADE A 70 -1.978 3.422 1.116 1.00 0.00 SBOX O ATOM 2019 C1' ADE A 70 -6.168 -2.658 4.744 1.00 0.00 SBOX C ATOM 2020 H1' ADE A 70 1.986 -12.331 18.917 1.00 0.00 SBOX ATOM 2021 N9 ADE A 70 2.188 1.311 -4.241 1.00 0.00 SBOX N ATOM 2022 C8 ADE A 70 -3.388 -8.150 7.192 1.00 0.00 SBOX C ATOM 2023 H8 ADE A 70 -11.222 -14.512 -12.680 1.00 0.00 SBOX ATOM 2024 N7 ADE A 70 0.147 -2.244 4.528 1.00 0.00 SBOX N ATOM 2025 C5 ADE A 70 -7.007 2.052 0.533 1.00 0.00 SBOX C ATOM 2026 C6 ADE A 70 -3.613 2.578 -3.410 1.00 0.00 SBOX C ATOM 2027 N6 ADE A 70 0.966 1.294 3.415 1.00 0.00 SBOX N ATOM 2028 H61 ADE A 70 -2.198 -10.669 -10.731 1.00 0.00 SBOX ATOM 2029 H62 ADE A 70 -3.585 -4.566 -1.537 1.00 0.00 SBOX ATOM 2030 N1 ADE A 70 -1.336 -0.334 -2.128 1.00 0.00 SBOX N ATOM 2031 C2 ADE A 70 -4.893 4.493 -7.897 1.00 0.00 SBOX C ATOM 2032 H2 ADE A 70 -0.314 11.609 -5.157 1.00 0.00 SBOX ATOM 2033 N3 ADE A 70 3.781 2.261 -1.987 1.00 0.00 SBOX N ATOM 2034 C4 ADE A 70 2.622 -4.353 -2.087 1.00 0.00 SBOX C ATOM 2035 C3' ADE A 70 -3.270 -3.721 -5.058 1.00 0.00 SBOX C ATOM 2036 H3' ADE A 70 -27.120 -21.934 -3.263 1.00 0.00 SBOX ATOM 2037 C2' ADE A 70 -5.060 -8.758 -3.276 1.00 0.00 SBOX C ATOM 2038 H2'' ADE A 70 -3.389 -22.480 -2.818 1.00 0.00 SBOX ATOM 2039 O2' ADE A 70 -1.450 -2.211 2.787 1.00 0.00 SBOX O ATOM 2040 H2' ADE A 70 -5.007 1.590 27.203 1.00 0.00 SBOX ATOM 2041 O3' ADE A 70 8.828 -4.902 -5.011 1.00 0.00 SBOX O ATOM 2042 P GUA A 71 -1.370 2.050 1.849 1.00 0.00 SBOX P ATOM 2043 O1P GUA A 71 -3.623 0.636 -0.914 1.00 0.00 SBOX ATOM 2044 O2P GUA A 71 -2.048 -4.410 4.142 1.00 0.00 SBOX ATOM 2045 O5' GUA A 71 -2.309 2.257 -2.705 1.00 0.00 SBOX O ATOM 2046 C5' GUA A 71 6.267 -3.595 -1.215 1.00 0.00 SBOX C ATOM 2047 H5' GUA A 71 -2.886 -1.603 6.333 1.00 0.00 SBOX ATOM 2048 H5'' GUA A 71 36.482 -6.881 -4.126 1.00 0.00 SBOX ATOM 2049 C4' GUA A 71 3.614 3.317 5.541 1.00 0.00 SBOX C ATOM 2050 H4' GUA A 71 11.138 -10.499 4.947 1.00 0.00 SBOX ATOM 2051 O4' GUA A 71 1.130 -1.741 3.329 1.00 0.00 SBOX O ATOM 2052 C1' GUA A 71 1.995 3.372 4.918 1.00 0.00 SBOX C ATOM 2053 H1' GUA A 71 20.142 21.488 0.962 1.00 0.00 SBOX ATOM 2054 N9 GUA A 71 1.049 3.689 -3.668 1.00 0.00 SBOX N ATOM 2055 C8 GUA A 71 4.101 -0.707 1.307 1.00 0.00 SBOX C ATOM 2056 H8 GUA A 71 -8.452 -1.676 37.317 1.00 0.00 SBOX ATOM 2057 N7 GUA A 71 11.616 6.125 -3.921 1.00 0.00 SBOX N ATOM 2058 C5 GUA A 71 6.335 -1.938 1.425 1.00 0.00 SBOX C ATOM 2059 C6 GUA A 71 7.698 0.069 -0.163 1.00 0.00 SBOX C ATOM 2060 O6 GUA A 71 -3.152 -5.742 -6.228 1.00 0.00 SBOX O ATOM 2061 N1 GUA A 71 -3.164 5.900 0.059 1.00 0.00 SBOX N ATOM 2062 H1 GUA A 71 -15.211 -2.302 2.468 1.00 0.00 SBOX ATOM 2063 C2 GUA A 71 2.688 -3.830 -8.277 1.00 0.00 SBOX C ATOM 2064 N2 GUA A 71 -0.070 1.231 -0.349 1.00 0.00 SBOX N ATOM 2065 H21 GUA A 71 4.429 10.667 1.100 1.00 0.00 SBOX ATOM 2066 H22 GUA A 71 -3.807 -7.456 -7.155 1.00 0.00 SBOX ATOM 2067 N3 GUA A 71 2.420 -3.268 -6.252 1.00 0.00 SBOX N ATOM 2068 C4 GUA A 71 -3.492 -1.508 -0.250 1.00 0.00 SBOX C ATOM 2069 C3' GUA A 71 -3.331 1.540 5.212 1.00 0.00 SBOX C ATOM 2070 H3' GUA A 71 -7.288 10.060 5.059 1.00 0.00 SBOX ATOM 2071 C2' GUA A 71 -3.671 8.039 3.995 1.00 0.00 SBOX C ATOM 2072 H2'' GUA A 71 6.846 -4.352 -3.294 1.00 0.00 SBOX ATOM 2073 O2' GUA A 71 -12.199 -5.012 -0.411 1.00 0.00 SBOX O ATOM 2074 H2' GUA A 71 -8.899 13.356 29.893 1.00 0.00 SBOX ATOM 2075 O3' GUA A 71 1.558 1.301 3.421 1.00 0.00 SBOX O ATOM 2076 P CYT A 72 1.131 -1.656 7.434 1.00 0.00 SBOX P ATOM 2077 O1P CYT A 72 -3.191 -7.609 0.996 1.00 0.00 SBOX ATOM 2078 O2P CYT A 72 -1.128 -1.742 4.435 1.00 0.00 SBOX ATOM 2079 O5' CYT A 72 -1.655 3.257 1.061 1.00 0.00 SBOX O ATOM 2080 C5' CYT A 72 -8.543 0.212 4.219 1.00 0.00 SBOX C ATOM 2081 H5' CYT A 72 -18.708 -8.475 8.340 1.00 0.00 SBOX ATOM 2082 H5'' CYT A 72 -17.283 1.947 -7.406 1.00 0.00 SBOX ATOM 2083 C4' CYT A 72 -0.972 4.408 6.014 1.00 0.00 SBOX C ATOM 2084 H4' CYT A 72 2.081 -0.852 10.849 1.00 0.00 SBOX ATOM 2085 O4' CYT A 72 -2.705 3.424 2.349 1.00 0.00 SBOX O ATOM 2086 C1' CYT A 72 0.204 2.416 1.944 1.00 0.00 SBOX C ATOM 2087 H1' CYT A 72 6.603 6.031 6.622 1.00 0.00 SBOX ATOM 2088 N1 CYT A 72 7.238 -3.305 0.332 1.00 0.00 SBOX N ATOM 2089 C6 CYT A 72 -4.704 8.329 -2.029 1.00 0.00 SBOX C ATOM 2090 H6 CYT A 72 -41.462 6.315 11.415 1.00 0.00 SBOX ATOM 2091 C5 CYT A 72 0.721 -1.690 0.758 1.00 0.00 SBOX C ATOM 2092 H5 CYT A 72 12.579 29.343 5.715 1.00 0.00 SBOX ATOM 2093 C4 CYT A 72 11.326 6.215 -7.627 1.00 0.00 SBOX C ATOM 2094 N4 CYT A 72 1.654 -2.967 -4.009 1.00 0.00 SBOX N ATOM 2095 H41 CYT A 72 -5.478 2.511 4.195 1.00 0.00 SBOX ATOM 2096 H42 CYT A 72 0.746 -2.451 -17.842 1.00 0.00 SBOX ATOM 2097 N3 CYT A 72 0.047 -3.182 0.154 1.00 0.00 SBOX N ATOM 2098 C2 CYT A 72 1.954 -4.586 0.948 1.00 0.00 SBOX C ATOM 2099 O2 CYT A 72 -1.928 -2.001 -7.417 1.00 0.00 SBOX O ATOM 2100 C3' CYT A 72 2.520 2.907 4.513 1.00 0.00 SBOX C ATOM 2101 H3' CYT A 72 5.582 -7.388 13.731 1.00 0.00 SBOX ATOM 2102 C2' CYT A 72 -11.100 -5.503 0.574 1.00 0.00 SBOX C ATOM 2103 H2'' CYT A 72 5.510 21.451 2.325 1.00 0.00 SBOX ATOM 2104 O2' CYT A 72 -0.165 -3.948 -1.889 1.00 0.00 SBOX O ATOM 2105 H2' CYT A 72 -15.878 7.135 26.176 1.00 0.00 SBOX ATOM 2106 O3' CYT A 72 6.505 2.771 0.345 1.00 0.00 SBOX O ATOM 2107 P GUA A 73 0.854 5.817 0.444 1.00 0.00 SBOX P ATOM 2108 O1P GUA A 73 0.792 2.736 3.103 1.00 0.00 SBOX ATOM 2109 O2P GUA A 73 -0.877 -0.508 3.170 1.00 0.00 SBOX ATOM 2110 O5' GUA A 73 -7.586 3.463 -4.321 1.00 0.00 SBOX O ATOM 2111 C5' GUA A 73 0.666 -1.929 -0.760 1.00 0.00 SBOX C ATOM 2112 H5' GUA A 73 -17.598 15.047 -11.286 1.00 0.00 SBOX ATOM 2113 H5'' GUA A 73 5.642 -5.597 0.142 1.00 0.00 SBOX ATOM 2114 C4' GUA A 73 4.496 5.435 3.895 1.00 0.00 SBOX C ATOM 2115 H4' GUA A 73 5.836 5.847 16.829 1.00 0.00 SBOX ATOM 2116 O4' GUA A 73 5.261 -2.446 6.123 1.00 0.00 SBOX O ATOM 2117 C1' GUA A 73 -5.037 2.213 -2.594 1.00 0.00 SBOX C ATOM 2118 H1' GUA A 73 -31.124 -15.169 -9.409 1.00 0.00 SBOX ATOM 2119 N9 GUA A 73 0.159 -2.681 -6.792 1.00 0.00 SBOX N ATOM 2120 C8 GUA A 73 -0.828 -2.785 -3.455 1.00 0.00 SBOX C ATOM 2121 H8 GUA A 73 -10.269 -3.164 -5.577 1.00 0.00 SBOX ATOM 2122 N7 GUA A 73 3.088 -7.579 -3.097 1.00 0.00 SBOX N ATOM 2123 C5 GUA A 73 -4.302 -1.770 3.004 1.00 0.00 SBOX C ATOM 2124 C6 GUA A 73 -3.181 -3.388 -0.140 1.00 0.00 SBOX C ATOM 2125 O6 GUA A 73 -2.409 -4.317 -0.967 1.00 0.00 SBOX O ATOM 2126 N1 GUA A 73 -4.241 4.765 4.325 1.00 0.00 SBOX N ATOM 2127 H1 GUA A 73 2.103 -6.155 0.315 1.00 0.00 SBOX ATOM 2128 C2 GUA A 73 -1.772 2.320 1.936 1.00 0.00 SBOX C ATOM 2129 N2 GUA A 73 -1.930 -0.540 1.987 1.00 0.00 SBOX N ATOM 2130 H21 GUA A 73 -15.171 10.362 -3.141 1.00 0.00 SBOX ATOM 2131 H22 GUA A 73 -1.100 8.061 -6.214 1.00 0.00 SBOX ATOM 2132 N3 GUA A 73 -2.441 0.275 3.009 1.00 0.00 SBOX N ATOM 2133 C4 GUA A 73 -6.984 -7.144 -3.598 1.00 0.00 SBOX C ATOM 2134 C3' GUA A 73 -2.918 -7.970 -11.963 1.00 0.00 SBOX C ATOM 2135 H3' GUA A 73 -0.763 -3.321 -7.698 1.00 0.00 SBOX ATOM 2136 C2' GUA A 73 2.785 -4.614 6.613 1.00 0.00 SBOX C ATOM 2137 H2'' GUA A 73 -8.322 1.575 -2.079 1.00 0.00 SBOX ATOM 2138 O2' GUA A 73 3.502 0.222 0.874 1.00 0.00 SBOX O ATOM 2139 H2' GUA A 73 9.727 -24.214 -3.347 1.00 0.00 SBOX ATOM 2140 O3' GUA A 73 6.098 1.639 2.556 1.00 0.00 SBOX O ATOM 2141 P GUA A 74 2.904 -0.780 -0.606 1.00 0.00 SBOX P ATOM 2142 O1P GUA A 74 -10.515 -0.390 -0.032 1.00 0.00 SBOX ATOM 2143 O2P GUA A 74 -8.251 2.452 -0.146 1.00 0.00 SBOX ATOM 2144 O5' GUA A 74 -2.039 -2.720 -7.051 1.00 0.00 SBOX O ATOM 2145 C5' GUA A 74 9.673 0.620 1.611 1.00 0.00 SBOX C ATOM 2146 H5' GUA A 74 -14.579 -14.842 11.966 1.00 0.00 SBOX ATOM 2147 H5'' GUA A 74 10.118 -3.951 6.294 1.00 0.00 SBOX ATOM 2148 C4' GUA A 74 2.402 -5.561 -0.671 1.00 0.00 SBOX C ATOM 2149 H4' GUA A 74 6.846 19.273 -2.241 1.00 0.00 SBOX ATOM 2150 O4' GUA A 74 -3.751 -1.446 6.586 1.00 0.00 SBOX O ATOM 2151 C1' GUA A 74 -1.908 11.735 3.997 1.00 0.00 SBOX C ATOM 2152 H1' GUA A 74 -30.773 -3.882 -3.421 1.00 0.00 SBOX ATOM 2153 N9 GUA A 74 0.117 -7.783 3.732 1.00 0.00 SBOX N ATOM 2154 C8 GUA A 74 8.226 4.488 -0.554 1.00 0.00 SBOX C ATOM 2155 H8 GUA A 74 -12.253 24.756 10.334 1.00 0.00 SBOX ATOM 2156 N7 GUA A 74 0.903 -0.535 4.297 1.00 0.00 SBOX N ATOM 2157 C5 GUA A 74 -0.015 -1.829 -1.802 1.00 0.00 SBOX C ATOM 2158 C6 GUA A 74 -3.646 -6.587 -2.331 1.00 0.00 SBOX C ATOM 2159 O6 GUA A 74 -3.826 -5.885 -2.246 1.00 0.00 SBOX O ATOM 2160 N1 GUA A 74 2.435 -2.332 -5.512 1.00 0.00 SBOX N ATOM 2161 H1 GUA A 74 -1.446 6.830 4.482 1.00 0.00 SBOX ATOM 2162 C2 GUA A 74 -0.462 -3.697 -4.060 1.00 0.00 SBOX C ATOM 2163 N2 GUA A 74 -0.473 -2.722 3.691 1.00 0.00 SBOX N ATOM 2164 H21 GUA A 74 -1.782 9.266 21.543 1.00 0.00 SBOX ATOM 2165 H22 GUA A 74 -3.772 33.370 17.152 1.00 0.00 SBOX ATOM 2166 N3 GUA A 74 0.580 -1.310 0.560 1.00 0.00 SBOX N ATOM 2167 C4 GUA A 74 1.079 3.322 0.305 1.00 0.00 SBOX C ATOM 2168 C3' GUA A 74 1.585 4.278 -0.237 1.00 0.00 SBOX C ATOM 2169 H3' GUA A 74 13.818 -2.312 -18.408 1.00 0.00 SBOX ATOM 2170 C2' GUA A 74 -4.848 2.258 -0.192 1.00 0.00 SBOX C ATOM 2171 H2'' GUA A 74 -6.472 11.712 -9.931 1.00 0.00 SBOX ATOM 2172 O2' GUA A 74 4.388 -2.950 -0.424 1.00 0.00 SBOX O ATOM 2173 H2' GUA A 74 4.508 -62.057 -21.121 1.00 0.00 SBOX ATOM 2174 O3' GUA A 74 2.947 -0.596 -0.536 1.00 0.00 SBOX O ATOM 2175 P ADE A 75 6.882 0.712 -2.029 1.00 0.00 SBOX P ATOM 2176 O1P ADE A 75 -1.099 -0.876 1.883 1.00 0.00 SBOX ATOM 2177 O2P ADE A 75 -1.364 2.124 3.484 1.00 0.00 SBOX ATOM 2178 O5' ADE A 75 -1.459 0.651 -0.425 1.00 0.00 SBOX O ATOM 2179 C5' ADE A 75 -1.971 1.862 -0.418 1.00 0.00 SBOX C ATOM 2180 H5' ADE A 75 -4.267 2.991 11.494 1.00 0.00 SBOX ATOM 2181 H5'' ADE A 75 8.372 -26.810 6.519 1.00 0.00 SBOX ATOM 2182 C4' ADE A 75 2.893 -2.123 1.713 1.00 0.00 SBOX C ATOM 2183 H4' ADE A 75 -5.322 -12.616 -10.345 1.00 0.00 SBOX ATOM 2184 O4' ADE A 75 5.234 -5.532 2.136 1.00 0.00 SBOX O ATOM 2185 C1' ADE A 75 -5.707 3.799 -5.453 1.00 0.00 SBOX C ATOM 2186 H1' ADE A 75 6.298 -23.433 21.189 1.00 0.00 SBOX ATOM 2187 N9 ADE A 75 2.378 3.058 -3.603 1.00 0.00 SBOX N ATOM 2188 C8 ADE A 75 -5.229 -0.955 5.175 1.00 0.00 SBOX C ATOM 2189 H8 ADE A 75 -8.553 -2.089 4.021 1.00 0.00 SBOX ATOM 2190 N7 ADE A 75 2.557 -4.676 -6.266 1.00 0.00 SBOX N ATOM 2191 C5 ADE A 75 -6.726 -3.492 5.480 1.00 0.00 SBOX C ATOM 2192 C6 ADE A 75 -8.455 3.662 -9.836 1.00 0.00 SBOX C ATOM 2193 N6 ADE A 75 -1.419 -5.283 9.321 1.00 0.00 SBOX N ATOM 2194 H61 ADE A 75 17.043 8.754 19.609 1.00 0.00 SBOX ATOM 2195 H62 ADE A 75 3.633 -23.147 4.668 1.00 0.00 SBOX ATOM 2196 N1 ADE A 75 -6.680 1.991 2.840 1.00 0.00 SBOX N ATOM 2197 C2 ADE A 75 2.465 4.838 6.608 1.00 0.00 SBOX C ATOM 2198 H2 ADE A 75 -14.806 0.640 -11.254 1.00 0.00 SBOX ATOM 2199 N3 ADE A 75 4.546 -0.854 -2.442 1.00 0.00 SBOX N ATOM 2200 C4 ADE A 75 3.066 4.393 -0.445 1.00 0.00 SBOX C ATOM 2201 C3' ADE A 75 -5.132 -5.623 1.561 1.00 0.00 SBOX C ATOM 2202 H3' ADE A 75 -1.188 -0.212 -0.859 1.00 0.00 SBOX ATOM 2203 C2' ADE A 75 -2.267 5.453 0.250 1.00 0.00 SBOX C ATOM 2204 H2'' ADE A 75 -45.148 -0.319 4.232 1.00 0.00 SBOX ATOM 2205 O2' ADE A 75 -3.633 5.498 -3.109 1.00 0.00 SBOX O ATOM 2206 H2' ADE A 75 15.419 -21.561 -0.195 1.00 0.00 SBOX ATOM 2207 O3' ADE A 75 2.261 1.838 2.389 1.00 0.00 SBOX O ATOM 2208 P ADE A 76 3.227 -0.276 -4.426 1.00 0.00 SBOX P ATOM 2209 O1P ADE A 76 -1.354 1.810 -1.331 1.00 0.00 SBOX ATOM 2210 O2P ADE A 76 -0.558 0.839 2.761 1.00 0.00 SBOX ATOM 2211 O5' ADE A 76 2.829 -0.444 0.041 1.00 0.00 SBOX O ATOM 2212 C5' ADE A 76 -7.170 12.876 1.297 1.00 0.00 SBOX C ATOM 2213 H5' ADE A 76 -13.239 4.803 2.539 1.00 0.00 SBOX ATOM 2214 H5'' ADE A 76 11.170 -9.030 15.062 1.00 0.00 SBOX ATOM 2215 C4' ADE A 76 -0.091 -2.619 4.769 1.00 0.00 SBOX C ATOM 2216 H4' ADE A 76 -0.532 -10.099 6.421 1.00 0.00 SBOX ATOM 2217 O4' ADE A 76 -2.032 -0.031 2.690 1.00 0.00 SBOX O ATOM 2218 C1' ADE A 76 1.429 -0.027 3.280 1.00 0.00 SBOX C ATOM 2219 H1' ADE A 76 3.418 -5.840 3.522 1.00 0.00 SBOX ATOM 2220 N9 ADE A 76 -1.542 -0.998 0.890 1.00 0.00 SBOX N ATOM 2221 C8 ADE A 76 -3.286 0.544 -3.470 1.00 0.00 SBOX C ATOM 2222 H8 ADE A 76 -21.552 27.729 24.765 1.00 0.00 SBOX ATOM 2223 N7 ADE A 76 0.849 -2.765 -1.887 1.00 0.00 SBOX N ATOM 2224 C5 ADE A 76 -0.550 2.149 0.710 1.00 0.00 SBOX C ATOM 2225 C6 ADE A 76 2.162 -9.402 2.401 1.00 0.00 SBOX C ATOM 2226 N6 ADE A 76 0.342 2.627 -0.849 1.00 0.00 SBOX N ATOM 2227 H61 ADE A 76 -8.945 -13.264 -4.220 1.00 0.00 SBOX ATOM 2228 H62 ADE A 76 -0.429 -1.466 -7.858 1.00 0.00 SBOX ATOM 2229 N1 ADE A 76 -1.278 4.020 5.994 1.00 0.00 SBOX N ATOM 2230 C2 ADE A 76 0.820 2.358 2.946 1.00 0.00 SBOX C ATOM 2231 H2 ADE A 76 11.958 -26.526 -11.591 1.00 0.00 SBOX ATOM 2232 N3 ADE A 76 -0.145 -4.904 -7.136 1.00 0.00 SBOX N ATOM 2233 C4 ADE A 76 -2.980 0.466 3.313 1.00 0.00 SBOX C ATOM 2234 C3' ADE A 76 -2.883 3.857 -0.876 1.00 0.00 SBOX C ATOM 2235 H3' ADE A 76 -14.989 -26.706 -5.527 1.00 0.00 SBOX ATOM 2236 C2' ADE A 76 2.552 1.405 -3.543 1.00 0.00 SBOX C ATOM 2237 H2'' ADE A 76 6.357 12.050 -28.079 1.00 0.00 SBOX ATOM 2238 O2' ADE A 76 -1.064 -0.501 -1.881 1.00 0.00 SBOX O ATOM 2239 H2' ADE A 76 -5.206 0.098 2.236 1.00 0.00 SBOX ATOM 2240 O3' ADE A 76 -3.300 2.845 -8.532 1.00 0.00 SBOX O ATOM 2241 P ADE A 77 -3.390 5.695 -2.668 1.00 0.00 SBOX P ATOM 2242 O1P ADE A 77 2.008 2.218 -1.550 1.00 0.00 SBOX ATOM 2243 O2P ADE A 77 3.584 4.410 0.529 1.00 0.00 SBOX ATOM 2244 O5' ADE A 77 -6.276 4.558 -4.239 1.00 0.00 SBOX O ATOM 2245 C5' ADE A 77 -0.472 5.232 -0.581 1.00 0.00 SBOX C ATOM 2246 H5' ADE A 77 12.398 10.297 9.753 1.00 0.00 SBOX ATOM 2247 H5'' ADE A 77 -22.387 20.220 -0.538 1.00 0.00 SBOX ATOM 2248 C4' ADE A 77 -0.751 1.246 5.679 1.00 0.00 SBOX C ATOM 2249 H4' ADE A 77 4.483 -11.871 3.562 1.00 0.00 SBOX ATOM 2250 O4' ADE A 77 1.554 2.716 6.263 1.00 0.00 SBOX O ATOM 2251 C1' ADE A 77 1.433 2.712 -4.157 1.00 0.00 SBOX C ATOM 2252 H1' ADE A 77 26.025 -8.092 -20.976 1.00 0.00 SBOX ATOM 2253 N9 ADE A 77 3.449 -7.232 -5.517 1.00 0.00 SBOX N ATOM 2254 C8 ADE A 77 0.048 -0.585 -6.465 1.00 0.00 SBOX C ATOM 2255 H8 ADE A 77 -7.887 13.995 28.235 1.00 0.00 SBOX ATOM 2256 N7 ADE A 77 0.289 3.544 -5.649 1.00 0.00 SBOX N ATOM 2257 C5 ADE A 77 -6.974 3.285 0.644 1.00 0.00 SBOX C ATOM 2258 C6 ADE A 77 3.403 1.418 -10.279 1.00 0.00 SBOX C ATOM 2259 N6 ADE A 77 0.679 4.422 -6.151 1.00 0.00 SBOX N ATOM 2260 H61 ADE A 77 2.021 -7.158 22.888 1.00 0.00 SBOX ATOM 2261 H62 ADE A 77 -7.950 -3.382 -6.645 1.00 0.00 SBOX ATOM 2262 N1 ADE A 77 2.082 -4.554 -2.124 1.00 0.00 SBOX N ATOM 2263 C2 ADE A 77 -1.883 3.511 4.475 1.00 0.00 SBOX C ATOM 2264 H2 ADE A 77 3.444 2.307 -2.895 1.00 0.00 SBOX ATOM 2265 N3 ADE A 77 -4.249 2.975 -0.668 1.00 0.00 SBOX N ATOM 2266 C4 ADE A 77 8.732 3.783 6.171 1.00 0.00 SBOX C ATOM 2267 C3' ADE A 77 2.653 8.576 3.413 1.00 0.00 SBOX C ATOM 2268 H3' ADE A 77 4.535 22.808 5.556 1.00 0.00 SBOX ATOM 2269 C2' ADE A 77 1.301 -1.337 3.994 1.00 0.00 SBOX C ATOM 2270 H2'' ADE A 77 14.854 -4.974 18.603 1.00 0.00 SBOX ATOM 2271 O2' ADE A 77 2.663 4.912 3.088 1.00 0.00 SBOX O ATOM 2272 H2' ADE A 77 -6.088 8.732 0.833 1.00 0.00 SBOX ATOM 2273 O3' ADE A 77 4.188 5.607 -0.554 1.00 0.00 SBOX O ATOM 2274 P CYT A 78 -6.221 0.128 2.911 1.00 0.00 SBOX P ATOM 2275 O1P CYT A 78 -7.623 -0.509 -7.926 1.00 0.00 SBOX ATOM 2276 O2P CYT A 78 -0.115 0.047 1.903 1.00 0.00 SBOX ATOM 2277 O5' CYT A 78 1.000 -7.686 -7.460 1.00 0.00 SBOX O ATOM 2278 C5' CYT A 78 0.249 -2.411 -9.197 1.00 0.00 SBOX C ATOM 2279 H5' CYT A 78 -0.488 8.399 -13.067 1.00 0.00 SBOX ATOM 2280 H5'' CYT A 78 2.904 -5.391 -38.673 1.00 0.00 SBOX ATOM 2281 C4' CYT A 78 -5.715 3.672 -4.721 1.00 0.00 SBOX C ATOM 2282 H4' CYT A 78 -1.113 -6.226 -18.074 1.00 0.00 SBOX ATOM 2283 O4' CYT A 78 7.476 -11.770 6.931 1.00 0.00 SBOX O ATOM 2284 C1' CYT A 78 3.111 3.317 -0.304 1.00 0.00 SBOX C ATOM 2285 H1' CYT A 78 -0.444 19.775 -34.675 1.00 0.00 SBOX ATOM 2286 N1 CYT A 78 2.343 -0.437 -0.505 1.00 0.00 SBOX N ATOM 2287 C6 CYT A 78 6.289 2.017 7.708 1.00 0.00 SBOX C ATOM 2288 H6 CYT A 78 -5.742 13.529 17.702 1.00 0.00 SBOX ATOM 2289 C5 CYT A 78 0.086 -0.628 7.769 1.00 0.00 SBOX C ATOM 2290 H5 CYT A 78 2.232 -10.661 -10.861 1.00 0.00 SBOX ATOM 2291 C4 CYT A 78 -6.691 -4.838 -9.110 1.00 0.00 SBOX C ATOM 2292 N4 CYT A 78 1.470 2.571 1.588 1.00 0.00 SBOX N ATOM 2293 H41 CYT A 78 -8.306 18.864 13.148 1.00 0.00 SBOX ATOM 2294 H42 CYT A 78 -13.737 18.788 17.055 1.00 0.00 SBOX ATOM 2295 N3 CYT A 78 3.843 5.236 -9.507 1.00 0.00 SBOX N ATOM 2296 C2 CYT A 78 1.695 1.037 2.259 1.00 0.00 SBOX C ATOM 2297 O2 CYT A 78 1.207 2.886 3.097 1.00 0.00 SBOX O ATOM 2298 C3' CYT A 78 -0.758 1.154 -3.086 1.00 0.00 SBOX C ATOM 2299 H3' CYT A 78 -12.404 0.968 20.629 1.00 0.00 SBOX ATOM 2300 C2' CYT A 78 -1.772 3.015 -0.558 1.00 0.00 SBOX C ATOM 2301 H2'' CYT A 78 30.310 -1.326 -3.049 1.00 0.00 SBOX ATOM 2302 O2' CYT A 78 3.654 -5.796 -0.657 1.00 0.00 SBOX O ATOM 2303 H2' CYT A 78 41.561 6.907 -14.191 1.00 0.00 SBOX ATOM 2304 O3' CYT A 78 -2.453 0.597 5.461 1.00 0.00 SBOX O ATOM 2305 P GUA A 79 2.793 -2.705 -1.475 1.00 0.00 SBOX P ATOM 2306 O1P GUA A 79 -0.086 -2.746 -2.341 1.00 0.00 SBOX ATOM 2307 O2P GUA A 79 3.272 2.422 -2.900 1.00 0.00 SBOX ATOM 2308 O5' GUA A 79 -1.732 4.250 2.683 1.00 0.00 SBOX O ATOM 2309 C5' GUA A 79 2.941 -3.993 -1.142 1.00 0.00 SBOX C ATOM 2310 H5' GUA A 79 4.805 4.638 -2.839 1.00 0.00 SBOX ATOM 2311 H5'' GUA A 79 -2.760 -11.317 19.449 1.00 0.00 SBOX ATOM 2312 C4' GUA A 79 -3.510 4.697 -3.156 1.00 0.00 SBOX C ATOM 2313 H4' GUA A 79 3.612 -23.501 -23.051 1.00 0.00 SBOX ATOM 2314 O4' GUA A 79 2.397 2.683 0.716 1.00 0.00 SBOX O ATOM 2315 C1' GUA A 79 0.926 -6.081 1.997 1.00 0.00 SBOX C ATOM 2316 H1' GUA A 79 5.859 -9.903 3.502 1.00 0.00 SBOX ATOM 2317 N9 GUA A 79 -11.318 -2.642 -2.531 1.00 0.00 SBOX N ATOM 2318 C8 GUA A 79 0.244 -0.124 -1.322 1.00 0.00 SBOX C ATOM 2319 H8 GUA A 79 -25.486 -10.536 -16.090 1.00 0.00 SBOX ATOM 2320 N7 GUA A 79 0.713 -6.581 0.092 1.00 0.00 SBOX N ATOM 2321 C5 GUA A 79 -7.461 2.890 4.237 1.00 0.00 SBOX C ATOM 2322 C6 GUA A 79 -5.245 -0.875 2.707 1.00 0.00 SBOX C ATOM 2323 O6 GUA A 79 0.054 1.933 2.534 1.00 0.00 SBOX O ATOM 2324 N1 GUA A 79 1.040 -5.805 -0.604 1.00 0.00 SBOX N ATOM 2325 H1 GUA A 79 -10.732 24.033 22.832 1.00 0.00 SBOX ATOM 2326 C2 GUA A 79 -0.628 -7.260 -6.244 1.00 0.00 SBOX C ATOM 2327 N2 GUA A 79 -2.650 -4.297 -5.788 1.00 0.00 SBOX N ATOM 2328 H21 GUA A 79 -0.534 -13.667 -11.465 1.00 0.00 SBOX ATOM 2329 H22 GUA A 79 -0.692 0.044 -18.213 1.00 0.00 SBOX ATOM 2330 N3 GUA A 79 -1.683 4.335 -2.293 1.00 0.00 SBOX N ATOM 2331 C4 GUA A 79 1.096 4.067 2.386 1.00 0.00 SBOX C ATOM 2332 C3' GUA A 79 3.478 -1.768 -1.527 1.00 0.00 SBOX C ATOM 2333 H3' GUA A 79 -2.936 9.014 10.315 1.00 0.00 SBOX ATOM 2334 C2' GUA A 79 -1.067 -2.393 0.789 1.00 0.00 SBOX C ATOM 2335 H2'' GUA A 79 -2.618 33.492 7.761 1.00 0.00 SBOX ATOM 2336 O2' GUA A 79 7.621 -2.156 -0.904 1.00 0.00 SBOX O ATOM 2337 H2' GUA A 79 -14.487 7.949 28.745 1.00 0.00 SBOX ATOM 2338 O3' GUA A 79 2.509 -6.064 4.439 1.00 0.00 SBOX O ATOM 2339 P URA A 80 -1.760 2.575 -3.397 1.00 0.00 SBOX P ATOM 2340 O1P URA A 80 -5.350 -0.712 -5.139 1.00 0.00 SBOX ATOM 2341 O2P URA A 80 3.534 -0.449 2.434 1.00 0.00 SBOX ATOM 2342 O5' URA A 80 0.363 7.511 -0.877 1.00 0.00 SBOX O ATOM 2343 C5' URA A 80 3.668 -0.332 -0.941 1.00 0.00 SBOX C ATOM 2344 H5' URA A 80 17.312 -5.791 -16.480 1.00 0.00 SBOX ATOM 2345 H5'' URA A 80 14.610 16.566 -17.618 1.00 0.00 SBOX ATOM 2346 C4' URA A 80 10.661 -2.553 -0.054 1.00 0.00 SBOX C ATOM 2347 H4' URA A 80 -6.963 0.126 -18.903 1.00 0.00 SBOX ATOM 2348 O4' URA A 80 -7.017 -3.995 -4.213 1.00 0.00 SBOX O ATOM 2349 C1' URA A 80 -3.060 -1.299 -11.441 1.00 0.00 SBOX C ATOM 2350 H1' URA A 80 -5.054 3.026 3.718 1.00 0.00 SBOX ATOM 2351 N1 URA A 80 -0.201 -3.651 -1.315 1.00 0.00 SBOX N ATOM 2352 C6 URA A 80 1.180 4.767 5.919 1.00 0.00 SBOX C ATOM 2353 H6 URA A 80 -13.585 -28.250 -6.380 1.00 0.00 SBOX ATOM 2354 C5 URA A 80 1.464 -8.477 0.145 1.00 0.00 SBOX C ATOM 2355 H5 URA A 80 -25.290 0.189 0.488 1.00 0.00 SBOX ATOM 2356 C4 URA A 80 6.065 10.145 -2.833 1.00 0.00 SBOX C ATOM 2357 O4 URA A 80 -3.336 -6.897 0.487 1.00 0.00 SBOX O ATOM 2358 N3 URA A 80 2.843 6.334 1.948 1.00 0.00 SBOX N ATOM 2359 H3 URA A 80 3.965 7.388 9.137 1.00 0.00 SBOX ATOM 2360 C2 URA A 80 -9.326 1.386 -2.722 1.00 0.00 SBOX C ATOM 2361 O2 URA A 80 -3.430 -0.799 -0.058 1.00 0.00 SBOX O ATOM 2362 C3' URA A 80 -1.394 1.579 -8.902 1.00 0.00 SBOX C ATOM 2363 H3' URA A 80 36.951 -12.873 22.099 1.00 0.00 SBOX ATOM 2364 C2' URA A 80 9.854 -5.094 -0.907 1.00 0.00 SBOX C ATOM 2365 H2'' URA A 80 11.168 -7.173 -2.860 1.00 0.00 SBOX ATOM 2366 O2' URA A 80 1.964 4.469 1.107 1.00 0.00 SBOX O ATOM 2367 H2' URA A 80 -9.063 26.686 1.580 1.00 0.00 SBOX ATOM 2368 O3' URA A 80 -2.198 -0.828 -5.085 1.00 0.00 SBOX O ATOM 2369 P URA A 81 -1.370 0.647 -0.682 1.00 0.00 SBOX P ATOM 2370 O1P URA A 81 0.278 0.882 8.336 1.00 0.00 SBOX ATOM 2371 O2P URA A 81 3.973 3.360 -1.466 1.00 0.00 SBOX ATOM 2372 O5' URA A 81 -2.358 -3.575 0.475 1.00 0.00 SBOX O ATOM 2373 C5' URA A 81 -1.007 3.460 -4.167 1.00 0.00 SBOX C ATOM 2374 H5' URA A 81 -7.966 8.921 7.647 1.00 0.00 SBOX ATOM 2375 H5'' URA A 81 -10.039 9.062 -16.350 1.00 0.00 SBOX ATOM 2376 C4' URA A 81 -7.011 1.677 13.541 1.00 0.00 SBOX C ATOM 2377 H4' URA A 81 -9.547 -17.468 -3.785 1.00 0.00 SBOX ATOM 2378 O4' URA A 81 1.175 -4.338 4.446 1.00 0.00 SBOX O ATOM 2379 C1' URA A 81 -2.510 -6.639 -3.921 1.00 0.00 SBOX C ATOM 2380 H1' URA A 81 10.762 -1.250 0.911 1.00 0.00 SBOX ATOM 2381 N1 URA A 81 -3.603 5.457 4.870 1.00 0.00 SBOX N ATOM 2382 C6 URA A 81 -2.788 -1.394 7.139 1.00 0.00 SBOX C ATOM 2383 H6 URA A 81 -0.893 0.482 -16.678 1.00 0.00 SBOX ATOM 2384 C5 URA A 81 0.040 -3.360 -3.887 1.00 0.00 SBOX C ATOM 2385 H5 URA A 81 -11.576 -4.885 -1.763 1.00 0.00 SBOX ATOM 2386 C4 URA A 81 1.075 -3.099 -1.674 1.00 0.00 SBOX C ATOM 2387 O4 URA A 81 5.252 -4.144 4.123 1.00 0.00 SBOX O ATOM 2388 N3 URA A 81 -1.011 3.515 1.271 1.00 0.00 SBOX N ATOM 2389 H3 URA A 81 -15.902 -18.178 -44.332 1.00 0.00 SBOX ATOM 2390 C2 URA A 81 -1.001 -1.246 -4.359 1.00 0.00 SBOX C ATOM 2391 O2 URA A 81 -6.193 -1.370 2.107 1.00 0.00 SBOX O ATOM 2392 C3' URA A 81 0.970 0.155 5.872 1.00 0.00 SBOX C ATOM 2393 H3' URA A 81 34.953 -9.544 16.505 1.00 0.00 SBOX ATOM 2394 C2' URA A 81 -6.191 4.315 0.413 1.00 0.00 SBOX C ATOM 2395 H2'' URA A 81 -0.081 -5.799 -7.907 1.00 0.00 SBOX ATOM 2396 O2' URA A 81 -1.034 6.523 4.294 1.00 0.00 SBOX O ATOM 2397 H2' URA A 81 8.733 21.853 7.987 1.00 0.00 SBOX ATOM 2398 O3' URA A 81 -0.989 -7.491 3.812 1.00 0.00 SBOX O ATOM 2399 P GUA A 82 -1.788 0.775 -0.188 1.00 0.00 SBOX P ATOM 2400 O1P GUA A 82 -4.012 -4.095 2.910 1.00 0.00 SBOX ATOM 2401 O2P GUA A 82 0.347 0.506 5.903 1.00 0.00 SBOX ATOM 2402 O5' GUA A 82 0.797 6.714 4.633 1.00 0.00 SBOX O ATOM 2403 C5' GUA A 82 -0.842 -9.526 -6.948 1.00 0.00 SBOX C ATOM 2404 H5' GUA A 82 9.116 -17.957 -10.856 1.00 0.00 SBOX ATOM 2405 H5'' GUA A 82 -19.429 26.205 -39.776 1.00 0.00 SBOX ATOM 2406 C4' GUA A 82 3.089 -6.558 0.028 1.00 0.00 SBOX C ATOM 2407 H4' GUA A 82 -12.139 2.167 7.359 1.00 0.00 SBOX ATOM 2408 O4' GUA A 82 -6.874 -0.743 -1.362 1.00 0.00 SBOX O ATOM 2409 C1' GUA A 82 -2.030 -1.751 -1.196 1.00 0.00 SBOX C ATOM 2410 H1' GUA A 82 -8.527 -0.410 25.449 1.00 0.00 SBOX ATOM 2411 N9 GUA A 82 8.137 -3.842 2.020 1.00 0.00 SBOX N ATOM 2412 C8 GUA A 82 4.830 -1.931 5.350 1.00 0.00 SBOX C ATOM 2413 H8 GUA A 82 3.009 13.553 -19.984 1.00 0.00 SBOX ATOM 2414 N7 GUA A 82 1.756 0.672 5.525 1.00 0.00 SBOX N ATOM 2415 C5 GUA A 82 -4.061 10.901 0.962 1.00 0.00 SBOX C ATOM 2416 C6 GUA A 82 -1.170 -0.722 -1.324 1.00 0.00 SBOX C ATOM 2417 O6 GUA A 82 3.032 1.132 -5.752 1.00 0.00 SBOX O ATOM 2418 N1 GUA A 82 5.401 -2.331 8.309 1.00 0.00 SBOX N ATOM 2419 H1 GUA A 82 2.227 -31.585 20.885 1.00 0.00 SBOX ATOM 2420 C2 GUA A 82 -3.574 0.971 7.280 1.00 0.00 SBOX C ATOM 2421 N2 GUA A 82 2.030 0.988 8.152 1.00 0.00 SBOX N ATOM 2422 H21 GUA A 82 -12.943 31.181 -14.492 1.00 0.00 SBOX ATOM 2423 H22 GUA A 82 0.195 -15.782 -3.366 1.00 0.00 SBOX ATOM 2424 N3 GUA A 82 -0.214 2.001 -1.848 1.00 0.00 SBOX N ATOM 2425 C4 GUA A 82 6.913 -4.952 -3.566 1.00 0.00 SBOX C ATOM 2426 C3' GUA A 82 1.906 -4.925 -6.760 1.00 0.00 SBOX C ATOM 2427 H3' GUA A 82 14.955 1.931 -3.541 1.00 0.00 SBOX ATOM 2428 C2' GUA A 82 -1.703 3.394 1.122 1.00 0.00 SBOX C ATOM 2429 H2'' GUA A 82 -4.309 22.541 30.608 1.00 0.00 SBOX ATOM 2430 O2' GUA A 82 4.356 4.252 -5.049 1.00 0.00 SBOX O ATOM 2431 H2' GUA A 82 9.398 6.154 -9.911 1.00 0.00 SBOX ATOM 2432 O3' GUA A 82 1.275 -4.367 -2.748 1.00 0.00 SBOX O ATOM 2433 P ADE A 83 4.413 -2.335 2.974 1.00 0.00 SBOX P ATOM 2434 O1P ADE A 83 7.558 -2.464 -1.771 1.00 0.00 SBOX ATOM 2435 O2P ADE A 83 -0.458 7.470 3.446 1.00 0.00 SBOX ATOM 2436 O5' ADE A 83 5.015 2.920 -2.996 1.00 0.00 SBOX O ATOM 2437 C5' ADE A 83 -9.682 6.878 -6.200 1.00 0.00 SBOX C ATOM 2438 H5' ADE A 83 -11.574 1.463 -1.738 1.00 0.00 SBOX ATOM 2439 H5'' ADE A 83 16.784 11.494 -2.125 1.00 0.00 SBOX ATOM 2440 C4' ADE A 83 0.320 0.764 -8.937 1.00 0.00 SBOX C ATOM 2441 H4' ADE A 83 15.732 -11.014 -21.870 1.00 0.00 SBOX ATOM 2442 O4' ADE A 83 7.497 -0.141 -1.281 1.00 0.00 SBOX O ATOM 2443 C1' ADE A 83 -3.163 -6.737 0.745 1.00 0.00 SBOX C ATOM 2444 H1' ADE A 83 -14.019 -4.442 -15.812 1.00 0.00 SBOX ATOM 2445 N9 ADE A 83 1.300 3.334 5.716 1.00 0.00 SBOX N ATOM 2446 C8 ADE A 83 -7.085 -5.235 3.434 1.00 0.00 SBOX C ATOM 2447 H8 ADE A 83 -11.069 15.886 -6.427 1.00 0.00 SBOX ATOM 2448 N7 ADE A 83 -3.219 -0.891 2.024 1.00 0.00 SBOX N ATOM 2449 C5 ADE A 83 -7.908 -3.354 -8.738 1.00 0.00 SBOX C ATOM 2450 C6 ADE A 83 -2.775 -2.756 -4.077 1.00 0.00 SBOX C ATOM 2451 N6 ADE A 83 0.482 5.502 -4.294 1.00 0.00 SBOX N ATOM 2452 H61 ADE A 83 14.579 13.430 9.608 1.00 0.00 SBOX ATOM 2453 H62 ADE A 83 -13.701 -12.685 -6.393 1.00 0.00 SBOX ATOM 2454 N1 ADE A 83 2.886 3.778 -1.840 1.00 0.00 SBOX N ATOM 2455 C2 ADE A 83 3.915 4.227 -1.725 1.00 0.00 SBOX C ATOM 2456 H2 ADE A 83 0.799 -0.211 -6.611 1.00 0.00 SBOX ATOM 2457 N3 ADE A 83 4.316 -0.401 -3.772 1.00 0.00 SBOX N ATOM 2458 C4 ADE A 83 0.540 1.727 2.705 1.00 0.00 SBOX C ATOM 2459 C3' ADE A 83 2.970 -7.085 0.392 1.00 0.00 SBOX C ATOM 2460 H3' ADE A 83 -5.470 -24.413 -29.839 1.00 0.00 SBOX ATOM 2461 C2' ADE A 83 -4.063 6.723 -2.911 1.00 0.00 SBOX C ATOM 2462 H2'' ADE A 83 12.843 -31.855 -2.833 1.00 0.00 SBOX ATOM 2463 O2' ADE A 83 -1.500 -0.622 2.143 1.00 0.00 SBOX O ATOM 2464 H2' ADE A 83 18.718 8.109 2.909 1.00 0.00 SBOX ATOM 2465 O3' ADE A 83 -2.851 -6.419 -7.185 1.00 0.00 SBOX O ATOM 2466 P ADE A 84 -1.033 -0.697 -2.370 1.00 0.00 SBOX P ATOM 2467 O1P ADE A 84 2.375 -7.962 -1.967 1.00 0.00 SBOX ATOM 2468 O2P ADE A 84 5.156 3.546 -3.085 1.00 0.00 SBOX ATOM 2469 O5' ADE A 84 -1.134 5.189 7.792 1.00 0.00 SBOX O ATOM 2470 C5' ADE A 84 -8.245 0.257 -1.238 1.00 0.00 SBOX C ATOM 2471 H5' ADE A 84 -15.025 0.123 -25.319 1.00 0.00 SBOX ATOM 2472 H5'' ADE A 84 -9.710 -2.338 0.706 1.00 0.00 SBOX ATOM 2473 C4' ADE A 84 3.084 1.249 3.544 1.00 0.00 SBOX C ATOM 2474 H4' ADE A 84 4.122 2.576 -0.134 1.00 0.00 SBOX ATOM 2475 O4' ADE A 84 4.334 -1.680 1.178 1.00 0.00 SBOX O ATOM 2476 C1' ADE A 84 3.085 1.339 1.133 1.00 0.00 SBOX C ATOM 2477 H1' ADE A 84 -19.101 21.975 -22.892 1.00 0.00 SBOX ATOM 2478 N9 ADE A 84 -1.215 -2.449 -8.073 1.00 0.00 SBOX N ATOM 2479 C8 ADE A 84 -3.811 -2.050 1.022 1.00 0.00 SBOX C ATOM 2480 H8 ADE A 84 14.864 -7.434 3.235 1.00 0.00 SBOX ATOM 2481 N7 ADE A 84 -0.912 -6.079 -5.517 1.00 0.00 SBOX N ATOM 2482 C5 ADE A 84 -3.268 -3.435 -3.660 1.00 0.00 SBOX C ATOM 2483 C6 ADE A 84 11.943 1.337 0.028 1.00 0.00 SBOX C ATOM 2484 N6 ADE A 84 -3.649 1.701 1.484 1.00 0.00 SBOX N ATOM 2485 H61 ADE A 84 -8.423 0.094 0.193 1.00 0.00 SBOX ATOM 2486 H62 ADE A 84 0.872 -19.362 7.639 1.00 0.00 SBOX ATOM 2487 N1 ADE A 84 6.444 -1.875 3.415 1.00 0.00 SBOX N ATOM 2488 C2 ADE A 84 2.169 0.915 -4.747 1.00 0.00 SBOX C ATOM 2489 H2 ADE A 84 22.812 5.971 16.188 1.00 0.00 SBOX ATOM 2490 N3 ADE A 84 -7.130 -2.266 -2.480 1.00 0.00 SBOX N ATOM 2491 C4 ADE A 84 -1.494 -9.060 -3.748 1.00 0.00 SBOX C ATOM 2492 C3' ADE A 84 4.333 -6.943 -0.198 1.00 0.00 SBOX C ATOM 2493 H3' ADE A 84 9.608 0.014 1.759 1.00 0.00 SBOX ATOM 2494 C2' ADE A 84 -4.734 2.731 -2.173 1.00 0.00 SBOX C ATOM 2495 H2'' ADE A 84 -12.074 6.588 2.892 1.00 0.00 SBOX ATOM 2496 O2' ADE A 84 -2.824 -0.055 3.548 1.00 0.00 SBOX O ATOM 2497 H2' ADE A 84 7.454 5.471 8.288 1.00 0.00 SBOX ATOM 2498 O3' ADE A 84 -4.406 -2.759 -3.207 1.00 0.00 SBOX O ATOM 2499 P ADE A 85 5.753 -4.317 5.150 1.00 0.00 SBOX P ATOM 2500 O1P ADE A 85 -1.338 -0.129 -5.446 1.00 0.00 SBOX ATOM 2501 O2P ADE A 85 1.162 11.874 7.842 1.00 0.00 SBOX ATOM 2502 O5' ADE A 85 2.526 0.591 0.782 1.00 0.00 SBOX O ATOM 2503 C5' ADE A 85 1.054 -4.150 8.962 1.00 0.00 SBOX C ATOM 2504 H5' ADE A 85 3.693 -3.174 7.579 1.00 0.00 SBOX ATOM 2505 H5'' ADE A 85 -3.124 11.512 2.650 1.00 0.00 SBOX ATOM 2506 C4' ADE A 85 -1.459 -1.772 -10.383 1.00 0.00 SBOX C ATOM 2507 H4' ADE A 85 2.920 2.519 -6.813 1.00 0.00 SBOX ATOM 2508 O4' ADE A 85 -3.589 -1.244 -1.637 1.00 0.00 SBOX O ATOM 2509 C1' ADE A 85 2.142 -10.204 2.277 1.00 0.00 SBOX C ATOM 2510 H1' ADE A 85 19.917 -3.072 -5.080 1.00 0.00 SBOX ATOM 2511 N9 ADE A 85 -3.079 6.641 5.517 1.00 0.00 SBOX N ATOM 2512 C8 ADE A 85 -1.568 -1.289 1.181 1.00 0.00 SBOX C ATOM 2513 H8 ADE A 85 -3.375 -7.487 -5.392 1.00 0.00 SBOX ATOM 2514 N7 ADE A 85 0.168 -5.353 -7.265 1.00 0.00 SBOX N ATOM 2515 C5 ADE A 85 5.741 3.097 -6.634 1.00 0.00 SBOX C ATOM 2516 C6 ADE A 85 1.892 4.920 -2.337 1.00 0.00 SBOX C ATOM 2517 N6 ADE A 85 1.325 -0.688 0.819 1.00 0.00 SBOX N ATOM 2518 H61 ADE A 85 7.395 25.853 12.311 1.00 0.00 SBOX ATOM 2519 H62 ADE A 85 9.363 0.228 0.911 1.00 0.00 SBOX ATOM 2520 N1 ADE A 85 6.657 -3.469 1.123 1.00 0.00 SBOX N ATOM 2521 C2 ADE A 85 6.119 1.810 1.034 1.00 0.00 SBOX C ATOM 2522 H2 ADE A 85 22.183 9.436 4.580 1.00 0.00 SBOX ATOM 2523 N3 ADE A 85 -3.882 -0.227 -3.598 1.00 0.00 SBOX N ATOM 2524 C4 ADE A 85 4.837 -4.181 -4.097 1.00 0.00 SBOX C ATOM 2525 C3' ADE A 85 -0.854 1.930 -6.145 1.00 0.00 SBOX C ATOM 2526 H3' ADE A 85 -4.139 -33.218 1.208 1.00 0.00 SBOX ATOM 2527 C2' ADE A 85 -3.944 1.146 2.034 1.00 0.00 SBOX C ATOM 2528 H2'' ADE A 85 0.490 4.337 -2.178 1.00 0.00 SBOX ATOM 2529 O2' ADE A 85 -0.453 0.023 2.744 1.00 0.00 SBOX O ATOM 2530 H2' ADE A 85 8.528 -1.365 -3.283 1.00 0.00 SBOX ATOM 2531 O3' ADE A 85 -0.383 -2.390 1.462 1.00 0.00 SBOX O ATOM 2532 P GUA A 86 0.168 0.952 3.454 1.00 0.00 SBOX P ATOM 2533 O1P GUA A 86 -0.948 1.213 -0.697 1.00 0.00 SBOX ATOM 2534 O2P GUA A 86 -2.457 2.534 -11.237 1.00 0.00 SBOX ATOM 2535 O5' GUA A 86 -4.343 5.015 1.144 1.00 0.00 SBOX O ATOM 2536 C5' GUA A 86 0.264 8.703 -4.591 1.00 0.00 SBOX C ATOM 2537 H5' GUA A 86 1.526 -0.810 8.931 1.00 0.00 SBOX ATOM 2538 H5'' GUA A 86 6.575 5.719 -27.646 1.00 0.00 SBOX ATOM 2539 C4' GUA A 86 7.056 3.353 1.451 1.00 0.00 SBOX C ATOM 2540 H4' GUA A 86 -15.730 -4.279 -9.384 1.00 0.00 SBOX ATOM 2541 O4' GUA A 86 -2.277 0.689 -11.107 1.00 0.00 SBOX O ATOM 2542 C1' GUA A 86 -5.592 -1.567 -5.865 1.00 0.00 SBOX C ATOM 2543 H1' GUA A 86 -6.532 -14.308 -2.177 1.00 0.00 SBOX ATOM 2544 N9 GUA A 86 -3.280 2.888 -3.680 1.00 0.00 SBOX N ATOM 2545 C8 GUA A 86 -5.780 6.655 -2.720 1.00 0.00 SBOX C ATOM 2546 H8 GUA A 86 -18.871 -20.770 0.723 1.00 0.00 SBOX ATOM 2547 N7 GUA A 86 2.202 -4.385 1.056 1.00 0.00 SBOX N ATOM 2548 C5 GUA A 86 1.583 6.031 -0.241 1.00 0.00 SBOX C ATOM 2549 C6 GUA A 86 0.870 0.334 7.840 1.00 0.00 SBOX C ATOM 2550 O6 GUA A 86 0.364 -5.748 1.297 1.00 0.00 SBOX O ATOM 2551 N1 GUA A 86 9.276 4.191 -1.274 1.00 0.00 SBOX N ATOM 2552 H1 GUA A 86 -1.449 -25.300 -4.075 1.00 0.00 SBOX ATOM 2553 C2 GUA A 86 -3.099 2.520 -5.043 1.00 0.00 SBOX C ATOM 2554 N2 GUA A 86 -1.024 4.024 -0.132 1.00 0.00 SBOX N ATOM 2555 H21 GUA A 86 -3.457 -20.432 6.484 1.00 0.00 SBOX ATOM 2556 H22 GUA A 86 1.293 -1.166 -2.329 1.00 0.00 SBOX ATOM 2557 N3 GUA A 86 4.940 1.334 0.388 1.00 0.00 SBOX N ATOM 2558 C4 GUA A 86 -7.345 -1.731 7.136 1.00 0.00 SBOX C ATOM 2559 C3' GUA A 86 1.847 4.418 0.531 1.00 0.00 SBOX C ATOM 2560 H3' GUA A 86 -0.426 -7.803 -2.753 1.00 0.00 SBOX ATOM 2561 C2' GUA A 86 3.954 1.652 -1.764 1.00 0.00 SBOX C ATOM 2562 H2'' GUA A 86 0.547 -9.167 3.161 1.00 0.00 SBOX ATOM 2563 O2' GUA A 86 5.188 0.030 1.748 1.00 0.00 SBOX O ATOM 2564 H2' GUA A 86 5.565 -5.603 3.163 1.00 0.00 SBOX ATOM 2565 O3' GUA A 86 -7.038 4.464 -1.912 1.00 0.00 SBOX O ATOM 2566 P ADE A 87 -4.604 -1.736 0.386 1.00 0.00 SBOX P ATOM 2567 O1P ADE A 87 -2.639 -1.044 -2.255 1.00 0.00 SBOX ATOM 2568 O2P ADE A 87 1.128 -0.161 3.450 1.00 0.00 SBOX ATOM 2569 O5' ADE A 87 -2.551 -0.081 3.736 1.00 0.00 SBOX O ATOM 2570 C5' ADE A 87 -3.410 3.926 -0.985 1.00 0.00 SBOX C ATOM 2571 H5' ADE A 87 -0.302 -6.472 9.347 1.00 0.00 SBOX ATOM 2572 H5'' ADE A 87 19.960 -14.097 -0.142 1.00 0.00 SBOX ATOM 2573 C4' ADE A 87 -4.637 -0.595 0.666 1.00 0.00 SBOX C ATOM 2574 H4' ADE A 87 16.813 -47.108 -28.934 1.00 0.00 SBOX ATOM 2575 O4' ADE A 87 1.155 -1.545 4.613 1.00 0.00 SBOX O ATOM 2576 C1' ADE A 87 3.313 6.261 2.066 1.00 0.00 SBOX C ATOM 2577 H1' ADE A 87 -0.681 12.966 5.190 1.00 0.00 SBOX ATOM 2578 N9 ADE A 87 3.799 -4.083 3.691 1.00 0.00 SBOX N ATOM 2579 C8 ADE A 87 0.487 -2.130 -0.614 1.00 0.00 SBOX C ATOM 2580 H8 ADE A 87 6.470 14.321 6.580 1.00 0.00 SBOX ATOM 2581 N7 ADE A 87 1.246 4.982 -2.394 1.00 0.00 SBOX N ATOM 2582 C5 ADE A 87 -1.517 -3.460 0.259 1.00 0.00 SBOX C ATOM 2583 C6 ADE A 87 2.943 2.412 -1.626 1.00 0.00 SBOX C ATOM 2584 N6 ADE A 87 -4.982 -0.250 0.568 1.00 0.00 SBOX N ATOM 2585 H61 ADE A 87 -17.797 2.870 -17.864 1.00 0.00 SBOX ATOM 2586 H62 ADE A 87 1.687 11.695 9.062 1.00 0.00 SBOX ATOM 2587 N1 ADE A 87 -0.195 4.174 1.565 1.00 0.00 SBOX N ATOM 2588 C2 ADE A 87 8.670 -0.255 1.801 1.00 0.00 SBOX C ATOM 2589 H2 ADE A 87 4.190 13.970 47.618 1.00 0.00 SBOX ATOM 2590 N3 ADE A 87 -2.088 -1.476 -1.128 1.00 0.00 SBOX N ATOM 2591 C4 ADE A 87 -5.941 -4.684 9.923 1.00 0.00 SBOX C ATOM 2592 C3' ADE A 87 -3.923 -1.080 -6.820 1.00 0.00 SBOX C ATOM 2593 H3' ADE A 87 -6.565 -11.282 -11.403 1.00 0.00 SBOX ATOM 2594 C2' ADE A 87 -0.228 -1.162 7.113 1.00 0.00 SBOX C ATOM 2595 H2'' ADE A 87 26.323 -4.184 20.686 1.00 0.00 SBOX ATOM 2596 O2' ADE A 87 7.693 -6.124 -2.862 1.00 0.00 SBOX O ATOM 2597 H2' ADE A 87 8.014 -1.697 -13.916 1.00 0.00 SBOX ATOM 2598 O3' ADE A 87 -0.750 -1.499 -1.709 1.00 0.00 SBOX O ATOM 2599 P URA A 88 -0.213 -0.857 -3.404 1.00 0.00 SBOX P ATOM 2600 O1P URA A 88 -2.058 2.254 -3.613 1.00 0.00 SBOX ATOM 2601 O2P URA A 88 -2.236 -0.433 -1.525 1.00 0.00 SBOX ATOM 2602 O5' URA A 88 -3.256 -1.550 8.604 1.00 0.00 SBOX O ATOM 2603 C5' URA A 88 6.167 -3.466 7.148 1.00 0.00 SBOX C ATOM 2604 H5' URA A 88 4.047 -2.160 6.899 1.00 0.00 SBOX ATOM 2605 H5'' URA A 88 -12.436 5.639 0.980 1.00 0.00 SBOX ATOM 2606 C4' URA A 88 4.003 1.932 -11.151 1.00 0.00 SBOX C ATOM 2607 H4' URA A 88 8.758 23.824 21.012 1.00 0.00 SBOX ATOM 2608 O4' URA A 88 -4.280 -2.945 -1.689 1.00 0.00 SBOX O ATOM 2609 C1' URA A 88 9.873 -0.432 3.005 1.00 0.00 SBOX C ATOM 2610 H1' URA A 88 9.091 13.710 1.409 1.00 0.00 SBOX ATOM 2611 N1 URA A 88 0.193 3.503 3.901 1.00 0.00 SBOX N ATOM 2612 C6 URA A 88 0.515 -1.972 5.184 1.00 0.00 SBOX C ATOM 2613 H6 URA A 88 24.492 -19.231 14.792 1.00 0.00 SBOX ATOM 2614 C5 URA A 88 -6.409 -2.667 -2.053 1.00 0.00 SBOX C ATOM 2615 H5 URA A 88 -8.286 2.886 -28.636 1.00 0.00 SBOX ATOM 2616 C4 URA A 88 4.541 -4.892 2.642 1.00 0.00 SBOX C ATOM 2617 O4 URA A 88 -1.888 2.662 -0.244 1.00 0.00 SBOX O ATOM 2618 N3 URA A 88 2.122 6.188 -3.609 1.00 0.00 SBOX N ATOM 2619 H3 URA A 88 17.914 9.302 6.506 1.00 0.00 SBOX ATOM 2620 C2 URA A 88 -2.551 0.674 -6.547 1.00 0.00 SBOX C ATOM 2621 O2 URA A 88 8.344 -4.655 -4.017 1.00 0.00 SBOX O ATOM 2622 C3' URA A 88 0.282 -3.374 -1.742 1.00 0.00 SBOX C ATOM 2623 H3' URA A 88 10.793 -2.420 -16.864 1.00 0.00 SBOX ATOM 2624 C2' URA A 88 0.530 -6.222 -0.294 1.00 0.00 SBOX C ATOM 2625 H2'' URA A 88 -22.359 6.984 -0.261 1.00 0.00 SBOX ATOM 2626 O2' URA A 88 -3.245 -2.009 -1.021 1.00 0.00 SBOX O ATOM 2627 H2' URA A 88 -2.433 5.671 -14.528 1.00 0.00 SBOX ATOM 2628 O3' URA A 88 3.397 -5.346 -6.759 1.00 0.00 SBOX O ATOM 2629 P GUA A 89 -5.461 2.583 -3.399 1.00 0.00 SBOX P ATOM 2630 O1P GUA A 89 -0.697 -0.470 4.086 1.00 0.00 SBOX ATOM 2631 O2P GUA A 89 -4.460 -3.054 -3.589 1.00 0.00 SBOX ATOM 2632 O5' GUA A 89 -6.215 -1.747 -0.509 1.00 0.00 SBOX O ATOM 2633 C5' GUA A 89 -4.124 -0.337 -4.872 1.00 0.00 SBOX C ATOM 2634 H5' GUA A 89 22.494 -25.092 -14.694 1.00 0.00 SBOX ATOM 2635 H5'' GUA A 89 -17.862 -3.456 16.352 1.00 0.00 SBOX ATOM 2636 C4' GUA A 89 3.695 4.024 1.783 1.00 0.00 SBOX C ATOM 2637 H4' GUA A 89 4.571 5.121 1.079 1.00 0.00 SBOX ATOM 2638 O4' GUA A 89 0.086 -4.219 -2.764 1.00 0.00 SBOX O ATOM 2639 C1' GUA A 89 -0.081 -2.895 -3.751 1.00 0.00 SBOX C ATOM 2640 H1' GUA A 89 -1.276 2.848 17.022 1.00 0.00 SBOX ATOM 2641 N9 GUA A 89 -3.479 -9.217 -3.748 1.00 0.00 SBOX N ATOM 2642 C8 GUA A 89 -0.065 6.348 5.358 1.00 0.00 SBOX C ATOM 2643 H8 GUA A 89 11.629 -17.662 -6.181 1.00 0.00 SBOX ATOM 2644 N7 GUA A 89 2.108 3.552 2.755 1.00 0.00 SBOX N ATOM 2645 C5 GUA A 89 -3.346 3.132 -4.725 1.00 0.00 SBOX C ATOM 2646 C6 GUA A 89 -2.005 3.476 7.141 1.00 0.00 SBOX C ATOM 2647 O6 GUA A 89 1.570 3.652 5.253 1.00 0.00 SBOX O ATOM 2648 N1 GUA A 89 -3.084 1.446 -1.729 1.00 0.00 SBOX N ATOM 2649 H1 GUA A 89 2.934 -0.685 -3.678 1.00 0.00 SBOX ATOM 2650 C2 GUA A 89 6.480 1.325 5.955 1.00 0.00 SBOX C ATOM 2651 N2 GUA A 89 -0.774 -4.489 -7.394 1.00 0.00 SBOX N ATOM 2652 H21 GUA A 89 7.175 8.158 11.705 1.00 0.00 SBOX ATOM 2653 H22 GUA A 89 8.841 11.008 -6.285 1.00 0.00 SBOX ATOM 2654 N3 GUA A 89 0.941 3.567 -5.067 1.00 0.00 SBOX N ATOM 2655 C4 GUA A 89 -2.028 3.809 2.231 1.00 0.00 SBOX C ATOM 2656 C3' GUA A 89 9.609 4.016 -0.654 1.00 0.00 SBOX C ATOM 2657 H3' GUA A 89 6.414 -1.701 9.492 1.00 0.00 SBOX ATOM 2658 C2' GUA A 89 -4.471 -0.254 0.737 1.00 0.00 SBOX C ATOM 2659 H2'' GUA A 89 -13.675 -1.259 4.126 1.00 0.00 SBOX ATOM 2660 O2' GUA A 89 -3.664 2.086 0.844 1.00 0.00 SBOX O ATOM 2661 H2' GUA A 89 -10.030 1.149 -20.205 1.00 0.00 SBOX ATOM 2662 O3' GUA A 89 -1.912 7.937 4.447 1.00 0.00 SBOX O ATOM 2663 P ADE A 90 2.831 0.271 1.521 1.00 0.00 SBOX P ATOM 2664 O1P ADE A 90 -1.566 -6.455 9.639 1.00 0.00 SBOX ATOM 2665 O2P ADE A 90 -3.285 -2.166 1.225 1.00 0.00 SBOX ATOM 2666 O5' ADE A 90 0.120 2.123 4.308 1.00 0.00 SBOX O ATOM 2667 C5' ADE A 90 -1.016 -1.741 -9.571 1.00 0.00 SBOX C ATOM 2668 H5' ADE A 90 -10.765 -5.843 1.924 1.00 0.00 SBOX ATOM 2669 H5'' ADE A 90 15.564 -0.770 -6.370 1.00 0.00 SBOX ATOM 2670 C4' ADE A 90 -3.074 -0.647 -3.606 1.00 0.00 SBOX C ATOM 2671 H4' ADE A 90 -3.378 -13.204 -3.930 1.00 0.00 SBOX ATOM 2672 O4' ADE A 90 0.182 0.148 -1.560 1.00 0.00 SBOX O ATOM 2673 C1' ADE A 90 -1.019 -8.258 -3.248 1.00 0.00 SBOX C ATOM 2674 H1' ADE A 90 -8.722 1.834 10.981 1.00 0.00 SBOX ATOM 2675 N9 ADE A 90 -1.066 -0.966 0.536 1.00 0.00 SBOX N ATOM 2676 C8 ADE A 90 -7.115 -2.096 8.104 1.00 0.00 SBOX C ATOM 2677 H8 ADE A 90 13.874 -3.174 -8.899 1.00 0.00 SBOX ATOM 2678 N7 ADE A 90 4.767 1.373 -2.218 1.00 0.00 SBOX N ATOM 2679 C5 ADE A 90 -0.888 -1.185 2.425 1.00 0.00 SBOX C ATOM 2680 C6 ADE A 90 -1.447 -6.157 2.686 1.00 0.00 SBOX C ATOM 2681 N6 ADE A 90 -0.631 1.207 -5.011 1.00 0.00 SBOX N ATOM 2682 H61 ADE A 90 -17.551 -2.908 0.222 1.00 0.00 SBOX ATOM 2683 H62 ADE A 90 2.785 -3.846 -10.808 1.00 0.00 SBOX ATOM 2684 N1 ADE A 90 -5.637 3.125 -3.705 1.00 0.00 SBOX N ATOM 2685 C2 ADE A 90 2.200 -1.459 -2.926 1.00 0.00 SBOX C ATOM 2686 H2 ADE A 90 -11.356 -7.347 -19.427 1.00 0.00 SBOX ATOM 2687 N3 ADE A 90 -3.804 5.252 -5.618 1.00 0.00 SBOX N ATOM 2688 C4 ADE A 90 -2.854 -8.652 -6.326 1.00 0.00 SBOX C ATOM 2689 C3' ADE A 90 10.582 -0.389 3.451 1.00 0.00 SBOX C ATOM 2690 H3' ADE A 90 3.942 -5.017 -6.833 1.00 0.00 SBOX ATOM 2691 C2' ADE A 90 -0.632 -4.663 -0.102 1.00 0.00 SBOX C ATOM 2692 H2'' ADE A 90 6.045 0.098 -21.037 1.00 0.00 SBOX ATOM 2693 O2' ADE A 90 -3.266 -3.071 4.156 1.00 0.00 SBOX O ATOM 2694 H2' ADE A 90 15.993 7.934 -7.348 1.00 0.00 SBOX ATOM 2695 O3' ADE A 90 -0.148 -0.614 -3.925 1.00 0.00 SBOX O ATOM 2696 P GUA A 91 4.091 0.865 -0.780 1.00 0.00 SBOX P ATOM 2697 O1P GUA A 91 4.546 -4.542 -0.846 1.00 0.00 SBOX ATOM 2698 O2P GUA A 91 -2.085 1.723 2.049 1.00 0.00 SBOX ATOM 2699 O5' GUA A 91 3.205 -0.586 3.819 1.00 0.00 SBOX O ATOM 2700 C5' GUA A 91 -0.841 10.892 0.134 1.00 0.00 SBOX C ATOM 2701 H5' GUA A 91 -1.857 26.757 11.920 1.00 0.00 SBOX ATOM 2702 H5'' GUA A 91 6.810 10.679 -1.844 1.00 0.00 SBOX ATOM 2703 C4' GUA A 91 -8.193 -0.616 -2.969 1.00 0.00 SBOX C ATOM 2704 H4' GUA A 91 7.748 2.846 16.716 1.00 0.00 SBOX ATOM 2705 O4' GUA A 91 2.168 8.415 -1.314 1.00 0.00 SBOX O ATOM 2706 C1' GUA A 91 -2.847 -4.655 -1.521 1.00 0.00 SBOX C ATOM 2707 H1' GUA A 91 8.892 -9.457 -5.494 1.00 0.00 SBOX ATOM 2708 N9 GUA A 91 1.845 4.052 -4.437 1.00 0.00 SBOX N ATOM 2709 C8 GUA A 91 0.257 6.818 -0.349 1.00 0.00 SBOX C ATOM 2710 H8 GUA A 91 32.375 17.494 -17.709 1.00 0.00 SBOX ATOM 2711 N7 GUA A 91 -2.278 10.146 -5.549 1.00 0.00 SBOX N ATOM 2712 C5 GUA A 91 2.973 0.161 3.888 1.00 0.00 SBOX C ATOM 2713 C6 GUA A 91 0.868 -1.040 4.729 1.00 0.00 SBOX C ATOM 2714 O6 GUA A 91 0.493 -0.062 1.114 1.00 0.00 SBOX O ATOM 2715 N1 GUA A 91 -1.732 -9.252 -4.491 1.00 0.00 SBOX N ATOM 2716 H1 GUA A 91 21.287 10.089 0.615 1.00 0.00 SBOX ATOM 2717 C2 GUA A 91 1.388 -8.916 1.957 1.00 0.00 SBOX C ATOM 2718 N2 GUA A 91 3.776 2.114 -2.152 1.00 0.00 SBOX N ATOM 2719 H21 GUA A 91 -1.304 -20.021 26.808 1.00 0.00 SBOX ATOM 2720 H22 GUA A 91 -7.476 -5.503 -8.831 1.00 0.00 SBOX ATOM 2721 N3 GUA A 91 -1.940 0.961 3.716 1.00 0.00 SBOX N ATOM 2722 C4 GUA A 91 -5.069 -2.642 -4.952 1.00 0.00 SBOX C ATOM 2723 C3' GUA A 91 3.323 2.183 1.063 1.00 0.00 SBOX C ATOM 2724 H3' GUA A 91 -2.976 20.368 13.386 1.00 0.00 SBOX ATOM 2725 C2' GUA A 91 4.146 1.505 2.775 1.00 0.00 SBOX C ATOM 2726 H2'' GUA A 91 5.011 5.333 4.483 1.00 0.00 SBOX ATOM 2727 O2' GUA A 91 2.303 -1.410 -1.914 1.00 0.00 SBOX O ATOM 2728 H2' GUA A 91 14.621 4.503 -35.287 1.00 0.00 SBOX ATOM 2729 O3' GUA A 91 4.080 2.099 -0.319 1.00 0.00 SBOX O ATOM 2730 P CYT A 92 -1.421 2.253 4.027 1.00 0.00 SBOX P ATOM 2731 O1P CYT A 92 4.286 1.361 -0.982 1.00 0.00 SBOX ATOM 2732 O2P CYT A 92 1.964 -7.168 -2.155 1.00 0.00 SBOX ATOM 2733 O5' CYT A 92 -4.314 -2.577 -0.043 1.00 0.00 SBOX O ATOM 2734 C5' CYT A 92 -4.674 4.446 2.313 1.00 0.00 SBOX C ATOM 2735 H5' CYT A 92 -16.884 -7.750 13.618 1.00 0.00 SBOX ATOM 2736 H5'' CYT A 92 -26.762 12.099 -3.771 1.00 0.00 SBOX ATOM 2737 C4' CYT A 92 -4.900 0.753 5.508 1.00 0.00 SBOX C ATOM 2738 H4' CYT A 92 1.416 17.800 19.593 1.00 0.00 SBOX ATOM 2739 O4' CYT A 92 -2.501 7.400 -0.465 1.00 0.00 SBOX O ATOM 2740 C1' CYT A 92 6.494 -2.715 3.547 1.00 0.00 SBOX C ATOM 2741 H1' CYT A 92 -10.472 8.326 5.944 1.00 0.00 SBOX ATOM 2742 N1 CYT A 92 -0.493 -1.819 -1.299 1.00 0.00 SBOX N ATOM 2743 C6 CYT A 92 6.676 2.402 2.435 1.00 0.00 SBOX C ATOM 2744 H6 CYT A 92 3.910 -5.665 13.983 1.00 0.00 SBOX ATOM 2745 C5 CYT A 92 -2.326 5.849 -6.060 1.00 0.00 SBOX C ATOM 2746 H5 CYT A 92 -12.674 10.301 0.988 1.00 0.00 SBOX ATOM 2747 C4 CYT A 92 -0.017 -1.684 -4.562 1.00 0.00 SBOX C ATOM 2748 N4 CYT A 92 -6.200 -1.239 1.766 1.00 0.00 SBOX N ATOM 2749 H41 CYT A 92 -42.642 -7.167 -17.573 1.00 0.00 SBOX ATOM 2750 H42 CYT A 92 -10.930 -2.634 -0.158 1.00 0.00 SBOX ATOM 2751 N3 CYT A 92 -2.066 -3.765 4.833 1.00 0.00 SBOX N ATOM 2752 C2 CYT A 92 0.191 -2.064 11.413 1.00 0.00 SBOX C ATOM 2753 O2 CYT A 92 5.521 -0.765 -1.275 1.00 0.00 SBOX O ATOM 2754 C3' CYT A 92 4.055 -0.990 -5.213 1.00 0.00 SBOX C ATOM 2755 H3' CYT A 92 -2.306 7.070 -1.430 1.00 0.00 SBOX ATOM 2756 C2' CYT A 92 -2.617 5.500 -2.067 1.00 0.00 SBOX C ATOM 2757 H2'' CYT A 92 -12.610 23.564 -34.476 1.00 0.00 SBOX ATOM 2758 O2' CYT A 92 -2.669 0.184 -2.666 1.00 0.00 SBOX O ATOM 2759 H2' CYT A 92 26.988 1.892 -3.524 1.00 0.00 SBOX ATOM 2760 O3' CYT A 92 4.487 -5.581 5.192 1.00 0.00 SBOX O ATOM 2761 P CYT A 93 -0.739 0.413 0.878 1.00 0.00 SBOX P ATOM 2762 O1P CYT A 93 -7.494 6.320 0.869 1.00 0.00 SBOX ATOM 2763 O2P CYT A 93 5.143 1.872 -5.084 1.00 0.00 SBOX ATOM 2764 O5' CYT A 93 4.147 2.736 -5.714 1.00 0.00 SBOX O ATOM 2765 C5' CYT A 93 -2.170 -1.791 -0.173 1.00 0.00 SBOX C ATOM 2766 H5' CYT A 93 -0.840 -8.953 -15.024 1.00 0.00 SBOX ATOM 2767 H5'' CYT A 93 -13.295 11.832 6.385 1.00 0.00 SBOX ATOM 2768 C4' CYT A 93 -7.003 -9.082 2.321 1.00 0.00 SBOX C ATOM 2769 H4' CYT A 93 -8.363 -10.241 -3.431 1.00 0.00 SBOX ATOM 2770 O4' CYT A 93 -0.460 -4.042 0.627 1.00 0.00 SBOX O ATOM 2771 C1' CYT A 93 -2.785 3.692 0.278 1.00 0.00 SBOX C ATOM 2772 H1' CYT A 93 -14.329 -2.708 13.884 1.00 0.00 SBOX ATOM 2773 N1 CYT A 93 -2.657 9.314 1.948 1.00 0.00 SBOX N ATOM 2774 C6 CYT A 93 -6.540 0.423 4.406 1.00 0.00 SBOX C ATOM 2775 H6 CYT A 93 -9.245 -11.461 3.206 1.00 0.00 SBOX ATOM 2776 C5 CYT A 93 4.042 -5.294 -1.064 1.00 0.00 SBOX C ATOM 2777 H5 CYT A 93 19.898 0.359 13.805 1.00 0.00 SBOX ATOM 2778 C4 CYT A 93 0.145 -3.456 7.482 1.00 0.00 SBOX C ATOM 2779 N4 CYT A 93 1.622 -0.394 -4.492 1.00 0.00 SBOX N ATOM 2780 H41 CYT A 93 -15.302 -6.005 -9.852 1.00 0.00 SBOX ATOM 2781 H42 CYT A 93 14.837 3.399 2.787 1.00 0.00 SBOX ATOM 2782 N3 CYT A 93 1.387 -8.486 -5.822 1.00 0.00 SBOX N ATOM 2783 C2 CYT A 93 6.691 4.323 4.147 1.00 0.00 SBOX C ATOM 2784 O2 CYT A 93 2.627 1.374 6.745 1.00 0.00 SBOX O ATOM 2785 C3' CYT A 93 5.788 -10.794 -0.855 1.00 0.00 SBOX C ATOM 2786 H3' CYT A 93 -29.003 -16.931 -1.793 1.00 0.00 SBOX ATOM 2787 C2' CYT A 93 5.199 -6.773 13.883 1.00 0.00 SBOX C ATOM 2788 H2'' CYT A 93 -5.231 -6.704 -3.343 1.00 0.00 SBOX ATOM 2789 O2' CYT A 93 5.523 0.379 2.146 1.00 0.00 SBOX O ATOM 2790 H2' CYT A 93 11.776 11.691 2.546 1.00 0.00 SBOX ATOM 2791 O3' CYT A 93 2.909 -5.823 1.597 1.00 0.00 SBOX O ATOM 2792 O3' ADE A 94 -1.277 -9.716 6.848 1.00 0.00 SBOX O ATOM 2793 H3T ADE A 94 0.045 -5.796 18.407 1.00 0.00 SBOX ATOM 2794 P ADE A 94 1.152 1.351 3.263 1.00 0.00 SBOX P ATOM 2795 O1P ADE A 94 -0.822 1.400 -2.106 1.00 0.00 SBOX ATOM 2796 O2P ADE A 94 -0.975 -5.977 -4.885 1.00 0.00 SBOX ATOM 2797 O5' ADE A 94 -2.890 5.109 0.867 1.00 0.00 SBOX O ATOM 2798 C5' ADE A 94 -6.471 -3.253 -8.446 1.00 0.00 SBOX C ATOM 2799 H5' ADE A 94 -3.476 -1.449 5.069 1.00 0.00 SBOX ATOM 2800 H5'' ADE A 94 -2.116 -13.104 -11.689 1.00 0.00 SBOX ATOM 2801 C4' ADE A 94 -0.993 2.242 0.797 1.00 0.00 SBOX C ATOM 2802 H4' ADE A 94 -1.627 2.931 -3.082 1.00 0.00 SBOX ATOM 2803 O4' ADE A 94 4.109 -2.912 -3.789 1.00 0.00 SBOX O ATOM 2804 C1' ADE A 94 4.183 1.743 -1.981 1.00 0.00 SBOX C ATOM 2805 H1' ADE A 94 19.523 1.468 -4.447 1.00 0.00 SBOX ATOM 2806 N9 ADE A 94 -1.662 -2.511 -2.197 1.00 0.00 SBOX N ATOM 2807 C8 ADE A 94 -0.887 4.633 1.591 1.00 0.00 SBOX C ATOM 2808 H8 ADE A 94 -19.711 -3.770 -3.611 1.00 0.00 SBOX ATOM 2809 N7 ADE A 94 2.043 1.299 -10.258 1.00 0.00 SBOX N ATOM 2810 C5 ADE A 94 9.175 15.643 -0.284 1.00 0.00 SBOX C ATOM 2811 C6 ADE A 94 -0.605 4.786 -0.808 1.00 0.00 SBOX C ATOM 2812 N6 ADE A 94 2.456 -0.727 -9.296 1.00 0.00 SBOX N ATOM 2813 H61 ADE A 94 -20.098 -11.743 -18.108 1.00 0.00 SBOX ATOM 2814 H62 ADE A 94 23.218 -13.716 6.831 1.00 0.00 SBOX ATOM 2815 N1 ADE A 94 5.393 -3.501 -0.049 1.00 0.00 SBOX N ATOM 2816 C2 ADE A 94 -0.173 -6.073 3.560 1.00 0.00 SBOX C ATOM 2817 H2 ADE A 94 7.933 -9.511 5.198 1.00 0.00 SBOX ATOM 2818 N3 ADE A 94 0.709 -1.830 -6.175 1.00 0.00 SBOX N ATOM 2819 C4 ADE A 94 -0.302 -3.568 -0.076 1.00 0.00 SBOX C ATOM 2820 C3' ADE A 94 -2.290 1.126 -3.437 1.00 0.00 SBOX C ATOM 2821 H3' ADE A 94 -0.319 2.034 -3.782 1.00 0.00 SBOX ATOM 2822 C2' ADE A 94 -3.663 -2.238 8.859 1.00 0.00 SBOX C ATOM 2823 H2'' ADE A 94 -9.863 1.592 12.383 1.00 0.00 SBOX ATOM 2824 O2' ADE A 94 3.361 -4.057 -6.930 1.00 0.00 SBOX O ATOM 2825 H2' ADE A 94 -16.573 8.798 -5.028 1.00 0.00 SBOX ATOM 2826 OH2 TIP3X 401 -4.445 1.122 1.126 1.00 0.00 SOLV O ATOM 2827 H1 TIP3X 401 -22.705 7.904 2.145 1.00 0.00 SOLV ATOM 2828 H2 TIP3X 401 -8.196 -18.052 0.400 1.00 0.00 SOLV ATOM 2829 OH2 TIP3X 402 -2.658 4.010 -0.884 1.00 0.00 SOLV O ATOM 2830 H1 TIP3X 402 8.954 5.088 10.167 1.00 0.00 SOLV ATOM 2831 H2 TIP3X 402 3.182 3.540 4.350 1.00 0.00 SOLV ATOM 2832 OH2 TIP3X 403 5.072 -6.665 5.944 1.00 0.00 SOLV O ATOM 2833 H1 TIP3X 403 4.133 -4.479 -10.858 1.00 0.00 SOLV ATOM 2834 H2 TIP3X 403 10.141 -1.475 5.656 1.00 0.00 SOLV ATOM 2835 OH2 TIP3X 404 0.732 -4.454 2.050 1.00 0.00 SOLV O ATOM 2836 H1 TIP3X 404 3.873 -0.019 1.018 1.00 0.00 SOLV ATOM 2837 H2 TIP3X 404 0.201 -4.616 7.612 1.00 0.00 SOLV ATOM 2838 OH2 TIP3X 405 8.668 -0.343 -4.443 1.00 0.00 SOLV O ATOM 2839 H1 TIP3X 405 0.349 -4.961 -2.348 1.00 0.00 SOLV ATOM 2840 H2 TIP3X 405 -0.687 -3.794 1.448 1.00 0.00 SOLV ATOM 2841 OH2 TIP3X 406 2.408 0.472 0.196 1.00 0.00 SOLV O ATOM 2842 H1 TIP3X 406 12.613 0.885 7.590 1.00 0.00 SOLV ATOM 2843 H2 TIP3X 406 16.281 -13.816 19.056 1.00 0.00 SOLV ATOM 2844 OH2 TIP3X 407 -2.989 2.936 5.913 1.00 0.00 SOLV O ATOM 2845 H1 TIP3X 407 7.363 8.532 5.090 1.00 0.00 SOLV ATOM 2846 H2 TIP3X 407 -5.627 4.958 -18.908 1.00 0.00 SOLV ATOM 2847 OH2 TIP3X 408 3.392 1.203 -2.130 1.00 0.00 SOLV O ATOM 2848 H1 TIP3X 408 4.282 4.222 -4.450 1.00 0.00 SOLV ATOM 2849 H2 TIP3X 408 11.908 15.355 -20.567 1.00 0.00 SOLV ATOM 2850 OH2 TIP3X 409 1.487 -1.988 2.163 1.00 0.00 SOLV O ATOM 2851 H1 TIP3X 409 1.505 -7.782 -8.754 1.00 0.00 SOLV ATOM 2852 H2 TIP3X 409 -24.999 -3.692 -6.011 1.00 0.00 SOLV ATOM 2853 OH2 TIP3X 410 3.108 1.947 -0.817 1.00 0.00 SOLV O ATOM 2854 H1 TIP3X 410 8.605 -7.387 -0.818 1.00 0.00 SOLV ATOM 2855 H2 TIP3X 410 -24.394 13.421 -8.465 1.00 0.00 SOLV ATOM 2856 OH2 TIP3X 411 5.440 -11.630 1.698 1.00 0.00 SOLV O ATOM 2857 H1 TIP3X 411 3.831 -11.041 5.325 1.00 0.00 SOLV ATOM 2858 H2 TIP3X 411 15.496 -10.558 -4.639 1.00 0.00 SOLV ATOM 2859 OH2 TIP3X 412 -0.919 5.071 1.251 1.00 0.00 SOLV O ATOM 2860 H1 TIP3X 412 2.939 -6.344 -1.094 1.00 0.00 SOLV ATOM 2861 H2 TIP3X 412 -1.532 -7.728 -14.035 1.00 0.00 SOLV ATOM 2862 OH2 TIP3X 413 6.069 -1.016 4.578 1.00 0.00 SOLV O ATOM 2863 H1 TIP3X 413 3.994 1.591 4.247 1.00 0.00 SOLV ATOM 2864 H2 TIP3X 413 6.546 -17.447 -2.045 1.00 0.00 SOLV ATOM 2865 OH2 TIP3X 415 1.658 -1.896 -1.630 1.00 0.00 SOLV O ATOM 2866 H1 TIP3X 415 -2.092 7.443 19.602 1.00 0.00 SOLV ATOM 2867 H2 TIP3X 415 30.342 11.106 -1.946 1.00 0.00 SOLV ATOM 2868 OH2 TIP3X 416 -1.677 -3.042 -4.784 1.00 0.00 SOLV O ATOM 2869 H1 TIP3X 416 4.376 -4.795 1.884 1.00 0.00 SOLV ATOM 2870 H2 TIP3X 416 19.192 -9.480 3.096 1.00 0.00 SOLV ATOM 2871 OH2 TIP3X 417 3.789 1.800 3.577 1.00 0.00 SOLV O ATOM 2872 H1 TIP3X 417 -23.159 5.186 5.933 1.00 0.00 SOLV ATOM 2873 H2 TIP3X 417 22.691 0.763 6.202 1.00 0.00 SOLV ATOM 2874 OH2 TIP3X 418 -3.830 -5.329 2.241 1.00 0.00 SOLV O ATOM 2875 H1 TIP3X 418 10.141 -9.649 -1.263 1.00 0.00 SOLV ATOM 2876 H2 TIP3X 418 1.688 7.211 -0.380 1.00 0.00 SOLV ATOM 2877 OH2 TIP3X 419 -5.597 6.743 -1.805 1.00 0.00 SOLV O ATOM 2878 H1 TIP3X 419 8.019 -0.987 16.593 1.00 0.00 SOLV ATOM 2879 H2 TIP3X 419 4.443 7.146 9.305 1.00 0.00 SOLV ATOM 2880 OH2 TIP3X 420 1.572 3.334 1.160 1.00 0.00 SOLV O ATOM 2881 H1 TIP3X 420 -13.881 -23.915 -6.588 1.00 0.00 SOLV ATOM 2882 H2 TIP3X 420 13.507 16.586 6.950 1.00 0.00 SOLV ATOM 2883 OH2 TIP3X 421 -8.159 2.808 -7.151 1.00 0.00 SOLV O ATOM 2884 H1 TIP3X 421 -26.613 11.565 -4.095 1.00 0.00 SOLV ATOM 2885 H2 TIP3X 421 -9.073 1.907 -6.389 1.00 0.00 SOLV ATOM 2886 OH2 TIP3X 422 1.161 0.753 5.127 1.00 0.00 SOLV O ATOM 2887 H1 TIP3X 422 3.702 4.398 -0.931 1.00 0.00 SOLV ATOM 2888 H2 TIP3X 422 -15.668 -4.221 4.760 1.00 0.00 SOLV ATOM 2889 OH2 TIP3X 423 6.119 -0.215 2.858 1.00 0.00 SOLV O ATOM 2890 H1 TIP3X 423 1.919 -3.503 6.839 1.00 0.00 SOLV ATOM 2891 H2 TIP3X 423 -4.370 -23.509 -5.232 1.00 0.00 SOLV ATOM 2892 OH2 TIP3X 424 -2.965 2.192 6.914 1.00 0.00 SOLV O ATOM 2893 H1 TIP3X 424 0.397 10.526 7.920 1.00 0.00 SOLV ATOM 2894 H2 TIP3X 424 -2.809 -10.190 -17.224 1.00 0.00 SOLV ATOM 2895 OH2 TIP3X 425 -2.372 0.959 1.901 1.00 0.00 SOLV O ATOM 2896 H1 TIP3X 425 -30.017 -11.318 1.095 1.00 0.00 SOLV ATOM 2897 H2 TIP3X 425 22.401 -22.125 -0.384 1.00 0.00 SOLV ATOM 2898 OH2 TIP3X 426 1.987 -6.048 0.955 1.00 0.00 SOLV O ATOM 2899 H1 TIP3X 426 5.447 -7.210 -6.942 1.00 0.00 SOLV ATOM 2900 H2 TIP3X 426 7.878 -1.690 10.502 1.00 0.00 SOLV ATOM 2901 OH2 TIP3X 427 0.846 -1.359 4.160 1.00 0.00 SOLV O ATOM 2902 H1 TIP3X 427 -6.746 -1.390 -11.155 1.00 0.00 SOLV ATOM 2903 H2 TIP3X 427 4.961 6.312 14.121 1.00 0.00 SOLV ATOM 2904 OH2 TIP3X 428 3.350 -0.707 0.534 1.00 0.00 SOLV O ATOM 2905 H1 TIP3X 428 -13.080 -2.914 11.233 1.00 0.00 SOLV ATOM 2906 H2 TIP3X 428 19.558 -1.845 21.343 1.00 0.00 SOLV ATOM 2907 OH2 TIP3X 429 4.496 4.241 1.190 1.00 0.00 SOLV O ATOM 2908 H1 TIP3X 429 -14.235 12.431 22.606 1.00 0.00 SOLV ATOM 2909 H2 TIP3X 429 15.344 -9.571 -16.072 1.00 0.00 SOLV ATOM 2910 OH2 TIP3X 430 -5.286 0.792 6.601 1.00 0.00 SOLV O ATOM 2911 H1 TIP3X 430 20.127 0.731 6.523 1.00 0.00 SOLV ATOM 2912 H2 TIP3X 430 -11.665 -21.508 6.925 1.00 0.00 SOLV ATOM 2913 OH2 TIP3X 431 9.442 2.122 6.484 1.00 0.00 SOLV O ATOM 2914 H1 TIP3X 431 17.757 -2.174 -10.640 1.00 0.00 SOLV ATOM 2915 H2 TIP3X 431 17.421 21.688 10.306 1.00 0.00 SOLV ATOM 2916 OH2 TIP3X 432 -11.213 3.409 4.636 1.00 0.00 SOLV O ATOM 2917 H1 TIP3X 432 1.750 8.029 -0.539 1.00 0.00 SOLV ATOM 2918 H2 TIP3X 432 -1.051 -13.756 10.416 1.00 0.00 SOLV ATOM 2919 OH2 TIP3X 433 0.554 2.186 -3.020 1.00 0.00 SOLV O ATOM 2920 H1 TIP3X 433 -12.655 10.663 2.190 1.00 0.00 SOLV ATOM 2921 H2 TIP3X 433 4.055 -7.094 2.927 1.00 0.00 SOLV ATOM 2922 OH2 TIP3X 434 -10.357 -3.706 0.351 1.00 0.00 SOLV O ATOM 2923 H1 TIP3X 434 -1.181 4.698 -6.868 1.00 0.00 SOLV ATOM 2924 H2 TIP3X 434 -4.405 19.248 -11.348 1.00 0.00 SOLV ATOM 2925 OH2 TIP3X 435 -5.574 0.204 -0.253 1.00 0.00 SOLV O ATOM 2926 H1 TIP3X 435 -20.837 10.275 1.347 1.00 0.00 SOLV ATOM 2927 H2 TIP3X 435 5.724 24.263 6.324 1.00 0.00 SOLV ATOM 2928 OH2 TIP3X 436 1.371 3.676 -4.397 1.00 0.00 SOLV O ATOM 2929 H1 TIP3X 436 -29.907 -19.327 30.799 1.00 0.00 SOLV ATOM 2930 H2 TIP3X 436 -11.552 -5.305 1.298 1.00 0.00 SOLV ATOM 2931 OH2 TIP3X 437 -5.403 1.611 2.083 1.00 0.00 SOLV O ATOM 2932 H1 TIP3X 437 -2.575 1.924 -12.497 1.00 0.00 SOLV ATOM 2933 H2 TIP3X 437 -2.212 -1.238 3.494 1.00 0.00 SOLV ATOM 2934 OH2 TIP3X 438 4.324 -6.769 -4.838 1.00 0.00 SOLV O ATOM 2935 H1 TIP3X 438 -3.026 -21.633 -0.335 1.00 0.00 SOLV ATOM 2936 H2 TIP3X 438 6.973 -14.536 -2.520 1.00 0.00 SOLV ATOM 2937 OH2 TIP3X 439 -6.241 5.801 1.177 1.00 0.00 SOLV O ATOM 2938 H1 TIP3X 439 -25.136 -6.311 -3.368 1.00 0.00 SOLV ATOM 2939 H2 TIP3X 439 -17.190 0.201 -0.186 1.00 0.00 SOLV ATOM 2940 OH2 TIP3X 440 0.293 -1.905 -4.514 1.00 0.00 SOLV O ATOM 2941 H1 TIP3X 440 -16.805 1.378 -0.758 1.00 0.00 SOLV ATOM 2942 H2 TIP3X 440 -7.940 -4.993 31.134 1.00 0.00 SOLV ATOM 2943 OH2 TIP3X 441 2.286 -2.269 0.421 1.00 0.00 SOLV O ATOM 2944 H1 TIP3X 441 -11.256 -19.298 1.904 1.00 0.00 SOLV ATOM 2945 H2 TIP3X 441 13.996 -10.342 -12.190 1.00 0.00 SOLV ATOM 2946 OH2 TIP3X 442 -1.129 -2.305 0.230 1.00 0.00 SOLV O ATOM 2947 H1 TIP3X 442 2.772 9.858 -9.562 1.00 0.00 SOLV ATOM 2948 H2 TIP3X 442 -5.541 10.040 -6.162 1.00 0.00 SOLV ATOM 2949 OH2 TIP3X 443 -0.614 2.313 5.493 1.00 0.00 SOLV O ATOM 2950 H1 TIP3X 443 21.784 -16.249 12.460 1.00 0.00 SOLV ATOM 2951 H2 TIP3X 443 -29.222 0.895 -1.016 1.00 0.00 SOLV ATOM 2952 OH2 TIP3X 444 -2.584 -0.048 0.236 1.00 0.00 SOLV O ATOM 2953 H1 TIP3X 444 -11.891 16.533 1.195 1.00 0.00 SOLV ATOM 2954 H2 TIP3X 444 -12.374 -17.502 -10.745 1.00 0.00 SOLV ATOM 2955 OH2 TIP3X 445 0.933 -5.759 4.339 1.00 0.00 SOLV O ATOM 2956 H1 TIP3X 445 6.380 14.281 -6.545 1.00 0.00 SOLV ATOM 2957 H2 TIP3X 445 -22.024 22.509 -26.582 1.00 0.00 SOLV ATOM 2958 OH2 TIP3X 446 -3.316 -8.423 9.909 1.00 0.00 SOLV O ATOM 2959 H1 TIP3X 446 -10.442 -9.579 -5.231 1.00 0.00 SOLV ATOM 2960 H2 TIP3X 446 12.247 -15.443 7.502 1.00 0.00 SOLV ATOM 2961 OH2 TIP3X 447 5.319 0.489 1.743 1.00 0.00 SOLV O ATOM 2962 H1 TIP3X 447 6.308 2.274 7.496 1.00 0.00 SOLV ATOM 2963 H2 TIP3X 447 -2.731 -14.731 8.056 1.00 0.00 SOLV ATOM 2964 OH2 TIP3X 448 -3.934 2.261 -2.760 1.00 0.00 SOLV O ATOM 2965 H1 TIP3X 448 -6.418 -4.254 6.740 1.00 0.00 SOLV ATOM 2966 H2 TIP3X 448 -3.055 -9.383 6.240 1.00 0.00 SOLV ATOM 2967 OH2 TIP3X 449 1.260 -1.156 2.917 1.00 0.00 SOLV O ATOM 2968 H1 TIP3X 449 22.730 15.550 -10.587 1.00 0.00 SOLV ATOM 2969 H2 TIP3X 449 14.990 11.376 -8.007 1.00 0.00 SOLV ATOM 2970 OH2 TIP3X 450 -2.333 0.786 0.475 1.00 0.00 SOLV O ATOM 2971 H1 TIP3X 450 -7.405 2.474 -8.803 1.00 0.00 SOLV ATOM 2972 H2 TIP3X 450 7.140 -9.793 12.778 1.00 0.00 SOLV ATOM 2973 OH2 TIP3X 451 -7.349 -1.412 -3.551 1.00 0.00 SOLV O ATOM 2974 H1 TIP3X 451 17.879 -19.333 9.841 1.00 0.00 SOLV ATOM 2975 H2 TIP3X 451 -14.061 7.231 -0.548 1.00 0.00 SOLV ATOM 2976 OH2 TIP3X 452 -3.740 -4.016 2.446 1.00 0.00 SOLV O ATOM 2977 H1 TIP3X 452 -18.452 2.051 10.443 1.00 0.00 SOLV ATOM 2978 H2 TIP3X 452 19.406 -12.188 -14.321 1.00 0.00 SOLV ATOM 2979 OH2 TIP3X 453 0.000 -1.678 -2.241 1.00 0.00 SOLV O ATOM 2980 H1 TIP3X 453 0.177 -1.040 -2.785 1.00 0.00 SOLV ATOM 2981 H2 TIP3X 453 -11.695 4.068 -1.966 1.00 0.00 SOLV ATOM 2982 OH2 TIP3X 454 -4.884 -6.475 -2.494 1.00 0.00 SOLV O ATOM 2983 H1 TIP3X 454 3.044 7.222 3.709 1.00 0.00 SOLV ATOM 2984 H2 TIP3X 454 -13.260 -3.865 -7.169 1.00 0.00 SOLV ATOM 2985 OH2 TIP3X 455 3.489 4.880 2.460 1.00 0.00 SOLV O ATOM 2986 H1 TIP3X 455 20.399 13.266 25.833 1.00 0.00 SOLV ATOM 2987 H2 TIP3X 455 -6.211 -2.256 -11.670 1.00 0.00 SOLV ATOM 2988 OH2 TIP3X 456 -4.134 -1.740 -0.658 1.00 0.00 SOLV O ATOM 2989 H1 TIP3X 456 0.744 -0.387 -2.772 1.00 0.00 SOLV ATOM 2990 H2 TIP3X 456 -24.568 5.051 3.752 1.00 0.00 SOLV ATOM 2991 OH2 TIP3X 457 5.918 2.937 0.879 1.00 0.00 SOLV O ATOM 2992 H1 TIP3X 457 -8.789 16.430 16.893 1.00 0.00 SOLV ATOM 2993 H2 TIP3X 457 13.252 -5.279 -8.273 1.00 0.00 SOLV ATOM 2994 OH2 TIP3X 458 -4.064 -1.983 -1.648 1.00 0.00 SOLV O ATOM 2995 H1 TIP3X 458 -9.303 -19.083 7.841 1.00 0.00 SOLV ATOM 2996 H2 TIP3X 458 -4.537 -0.566 -1.604 1.00 0.00 SOLV ATOM 2997 OH2 TIP3X 459 0.748 6.346 4.798 1.00 0.00 SOLV O ATOM 2998 H1 TIP3X 459 -0.246 -0.967 -8.882 1.00 0.00 SOLV ATOM 2999 H2 TIP3X 459 -9.672 -9.150 -5.250 1.00 0.00 SOLV ATOM 3000 OH2 TIP3X 460 7.745 -1.816 -4.590 1.00 0.00 SOLV O ATOM 3001 H1 TIP3X 460 -6.731 -7.218 5.277 1.00 0.00 SOLV ATOM 3002 H2 TIP3X 460 -3.106 -6.655 6.925 1.00 0.00 SOLV ATOM 3003 OH2 TIP3X 461 -4.127 -0.870 -0.406 1.00 0.00 SOLV O ATOM 3004 H1 TIP3X 461 -1.482 -9.925 -11.039 1.00 0.00 SOLV ATOM 3005 H2 TIP3X 461 -0.868 -5.282 -7.426 1.00 0.00 SOLV ATOM 3006 OH2 TIP3X 462 -0.620 -2.823 -0.296 1.00 0.00 SOLV O ATOM 3007 H1 TIP3X 462 1.907 -10.256 0.318 1.00 0.00 SOLV ATOM 3008 H2 TIP3X 462 -10.623 -1.969 -0.307 1.00 0.00 SOLV ATOM 3009 OH2 TIP3X 463 0.712 -2.351 0.800 1.00 0.00 SOLV O ATOM 3010 H1 TIP3X 463 8.098 5.819 -2.608 1.00 0.00 SOLV ATOM 3011 H2 TIP3X 463 -10.720 -3.454 -4.133 1.00 0.00 SOLV ATOM 3012 OH2 TIP3X 464 6.084 1.690 4.310 1.00 0.00 SOLV O ATOM 3013 H1 TIP3X 464 6.232 9.485 12.889 1.00 0.00 SOLV ATOM 3014 H2 TIP3X 464 4.227 -1.750 7.031 1.00 0.00 SOLV ATOM 3015 OH2 TIP3X 465 -5.910 0.030 -2.524 1.00 0.00 SOLV O ATOM 3016 H1 TIP3X 465 -6.037 4.992 -3.955 1.00 0.00 SOLV ATOM 3017 H2 TIP3X 465 -8.357 -1.574 -3.697 1.00 0.00 SOLV ATOM 3018 OH2 TIP3X 466 -0.499 0.263 4.093 1.00 0.00 SOLV O ATOM 3019 H1 TIP3X 466 -2.619 8.448 0.027 1.00 0.00 SOLV ATOM 3020 H2 TIP3X 466 0.648 -2.084 6.548 1.00 0.00 SOLV ATOM 3021 OH2 TIP3X 467 3.343 3.687 2.011 1.00 0.00 SOLV O ATOM 3022 H1 TIP3X 467 43.111 -33.204 -0.736 1.00 0.00 SOLV ATOM 3023 H2 TIP3X 467 -19.500 -22.110 -13.222 1.00 0.00 SOLV ATOM 3024 OH2 TIP3X 468 -0.385 0.367 -3.709 1.00 0.00 SOLV O ATOM 3025 H1 TIP3X 468 -2.255 5.513 -5.224 1.00 0.00 SOLV ATOM 3026 H2 TIP3X 468 7.519 16.631 6.342 1.00 0.00 SOLV ATOM 3027 OH2 TIP3X 469 -2.511 1.601 3.118 1.00 0.00 SOLV O ATOM 3028 H1 TIP3X 469 -7.079 -25.640 -12.901 1.00 0.00 SOLV ATOM 3029 H2 TIP3X 469 17.078 0.131 1.754 1.00 0.00 SOLV ATOM 3030 OH2 TIP3X 470 4.041 -1.862 -10.369 1.00 0.00 SOLV O ATOM 3031 H1 TIP3X 470 21.529 -21.112 -15.798 1.00 0.00 SOLV ATOM 3032 H2 TIP3X 470 2.389 1.184 0.796 1.00 0.00 SOLV ATOM 3033 OH2 TIP3X 471 -0.776 -0.595 -4.560 1.00 0.00 SOLV O ATOM 3034 H1 TIP3X 471 -11.507 3.138 0.559 1.00 0.00 SOLV ATOM 3035 H2 TIP3X 471 -5.743 22.708 -1.566 1.00 0.00 SOLV ATOM 3036 OH2 TIP3X 472 -0.670 -2.079 0.048 1.00 0.00 SOLV O ATOM 3037 H1 TIP3X 472 -2.355 15.188 -2.264 1.00 0.00 SOLV ATOM 3038 H2 TIP3X 472 2.810 8.737 -2.610 1.00 0.00 SOLV ATOM 3039 OH2 TIP3X 473 -4.783 -4.242 -5.302 1.00 0.00 SOLV O ATOM 3040 H1 TIP3X 473 -14.108 12.421 -5.815 1.00 0.00 SOLV ATOM 3041 H2 TIP3X 473 0.804 -8.237 17.139 1.00 0.00 SOLV ATOM 3042 OH2 TIP3X 474 0.818 -1.940 -7.062 1.00 0.00 SOLV O ATOM 3043 H1 TIP3X 474 -14.613 -10.053 -6.475 1.00 0.00 SOLV ATOM 3044 H2 TIP3X 474 16.835 4.124 -11.119 1.00 0.00 SOLV ATOM 3045 OH2 TIP3X 475 1.171 2.977 0.703 1.00 0.00 SOLV O ATOM 3046 H1 TIP3X 475 1.289 1.531 1.125 1.00 0.00 SOLV ATOM 3047 H2 TIP3X 475 -2.601 0.854 9.205 1.00 0.00 SOLV ATOM 3048 OH2 TIP3X 476 -3.074 1.977 -5.030 1.00 0.00 SOLV O ATOM 3049 H1 TIP3X 476 0.370 -12.212 20.477 1.00 0.00 SOLV ATOM 3050 H2 TIP3X 476 26.365 5.683 -10.323 1.00 0.00 SOLV ATOM 3051 OH2 TIP3X 477 1.585 -6.770 -0.655 1.00 0.00 SOLV O ATOM 3052 H1 TIP3X 477 8.366 -13.223 -15.572 1.00 0.00 SOLV ATOM 3053 H2 TIP3X 477 13.677 -38.434 -8.569 1.00 0.00 SOLV ATOM 3054 OH2 TIP3X 478 3.068 0.581 -6.551 1.00 0.00 SOLV O ATOM 3055 H1 TIP3X 478 16.264 0.724 -8.726 1.00 0.00 SOLV ATOM 3056 H2 TIP3X 478 7.919 3.294 -8.568 1.00 0.00 SOLV ATOM 3057 OH2 TIP3X 479 -0.815 -7.304 -2.777 1.00 0.00 SOLV O ATOM 3058 H1 TIP3X 479 -5.853 -16.233 -17.813 1.00 0.00 SOLV ATOM 3059 H2 TIP3X 479 12.562 3.037 0.651 1.00 0.00 SOLV ATOM 3060 OH2 TIP3X 480 -2.082 6.069 -0.118 1.00 0.00 SOLV O ATOM 3061 H1 TIP3X 480 1.894 3.785 3.483 1.00 0.00 SOLV ATOM 3062 H2 TIP3X 480 -10.600 6.514 -26.880 1.00 0.00 SOLV ATOM 3063 OH2 TIP3X 481 2.120 -1.283 -1.075 1.00 0.00 SOLV O ATOM 3064 H1 TIP3X 481 -3.064 1.650 1.121 1.00 0.00 SOLV ATOM 3065 H2 TIP3X 481 -3.987 2.258 1.291 1.00 0.00 SOLV ATOM 3066 OH2 TIP3X 482 -1.447 5.291 -0.485 1.00 0.00 SOLV O ATOM 3067 H1 TIP3X 482 -8.574 0.279 -0.232 1.00 0.00 SOLV ATOM 3068 H2 TIP3X 482 2.770 7.943 4.614 1.00 0.00 SOLV ATOM 3069 OH2 TIP3X 483 4.262 2.036 -0.525 1.00 0.00 SOLV O ATOM 3070 H1 TIP3X 483 3.667 4.603 -0.606 1.00 0.00 SOLV ATOM 3071 H2 TIP3X 483 1.389 3.233 20.678 1.00 0.00 SOLV ATOM 3072 OH2 TIP3X 484 -6.628 4.004 0.798 1.00 0.00 SOLV O ATOM 3073 H1 TIP3X 484 -4.183 24.980 -12.101 1.00 0.00 SOLV ATOM 3074 H2 TIP3X 484 -22.367 12.801 17.542 1.00 0.00 SOLV ATOM 3075 OH2 TIP3X 485 3.513 -1.182 3.000 1.00 0.00 SOLV O ATOM 3076 H1 TIP3X 485 8.708 -24.191 -9.189 1.00 0.00 SOLV ATOM 3077 H2 TIP3X 485 -8.785 13.811 -2.781 1.00 0.00 SOLV ATOM 3078 OH2 TIP3X 486 -1.010 -7.845 2.870 1.00 0.00 SOLV O ATOM 3079 H1 TIP3X 486 4.447 -1.770 0.549 1.00 0.00 SOLV ATOM 3080 H2 TIP3X 486 -5.899 -9.968 8.763 1.00 0.00 SOLV ATOM 3081 OH2 TIP3X 487 -4.959 6.139 -2.852 1.00 0.00 SOLV O ATOM 3082 H1 TIP3X 487 20.470 -5.134 3.899 1.00 0.00 SOLV ATOM 3083 H2 TIP3X 487 -6.968 -14.476 7.375 1.00 0.00 SOLV ATOM 3084 OH2 TIP3X 488 8.041 2.539 5.378 1.00 0.00 SOLV O ATOM 3085 H1 TIP3X 488 16.732 -8.978 12.854 1.00 0.00 SOLV ATOM 3086 H2 TIP3X 488 1.007 -5.854 -7.420 1.00 0.00 SOLV ATOM 3087 OH2 TIP3X 489 -1.415 -0.408 1.359 1.00 0.00 SOLV O ATOM 3088 H1 TIP3X 489 12.175 -22.121 13.168 1.00 0.00 SOLV ATOM 3089 H2 TIP3X 489 -3.336 4.443 -3.751 1.00 0.00 SOLV ATOM 3090 MG MG X 205 -3.415 -2.094 6.172 1.00 0.00 IONSMG ATOM 3091 MG MG X 206 -3.339 1.231 -1.044 1.00 0.00 IONSMG ATOM 3092 C4' SAM X 301 -8.062 -4.466 2.541 1.00 0.00 SAM C ATOM 3093 H4' SAM X 301 8.105 7.251 -3.905 1.00 0.00 SAM ATOM 3094 O4' SAM X 301 -1.633 -1.607 3.383 1.00 0.00 SAM O ATOM 3095 C1' SAM X 301 -2.688 4.123 -2.976 1.00 0.00 SAM C ATOM 3096 H1' SAM X 301 0.834 12.855 -10.443 1.00 0.00 SAM ATOM 3097 N9 SAM X 301 -0.045 -5.357 -0.243 1.00 0.00 SAM N ATOM 3098 C5 SAM X 301 -7.167 4.332 2.695 1.00 0.00 SAM C ATOM 3099 N7 SAM X 301 -5.496 -1.109 -4.752 1.00 0.00 SAM N ATOM 3100 C8 SAM X 301 -2.875 3.833 -2.486 1.00 0.00 SAM C ATOM 3101 H8 SAM X 301 -8.527 1.875 13.892 1.00 0.00 SAM ATOM 3102 N1 SAM X 301 -10.536 0.017 1.568 1.00 0.00 SAM N ATOM 3103 C2 SAM X 301 -2.031 4.555 -3.978 1.00 0.00 SAM C ATOM 3104 H2 SAM X 301 -3.888 9.049 -6.050 1.00 0.00 SAM ATOM 3105 N3 SAM X 301 -3.249 2.077 4.187 1.00 0.00 SAM N ATOM 3106 C4 SAM X 301 -2.096 4.839 -8.442 1.00 0.00 SAM C ATOM 3107 C6 SAM X 301 0.213 -5.317 1.750 1.00 0.00 SAM C ATOM 3108 N6 SAM X 301 -7.019 -6.445 -1.871 1.00 0.00 SAM N ATOM 3109 H61 SAM X 301 -8.760 15.438 -30.714 1.00 0.00 SAM ATOM 3110 H62 SAM X 301 -17.256 -16.073 10.919 1.00 0.00 SAM ATOM 3111 C2' SAM X 301 -0.159 -3.639 1.963 1.00 0.00 SAM C ATOM 3112 H2'' SAM X 301 4.502 6.207 -2.081 1.00 0.00 SAM ATOM 3113 O2' SAM X 301 1.783 -1.300 -8.214 1.00 0.00 SAM O ATOM 3114 H2' SAM X 301 -8.692 3.830 -18.328 1.00 0.00 SAM ATOM 3115 N SAM X 301 -6.500 -0.001 -2.128 1.00 0.00 SAM N ATOM 3116 HT1 SAM X 301 -10.521 -17.542 8.893 1.00 0.00 SAM ATOM 3117 HT2 SAM X 301 12.162 0.146 -10.699 1.00 0.00 SAM ATOM 3118 HT3 SAM X 301 3.055 0.195 2.101 1.00 0.00 SAM ATOM 3119 CA SAM X 301 -0.054 5.690 7.294 1.00 0.00 SAM C ATOM 3120 HA SAM X 301 -14.378 -9.350 -0.593 1.00 0.00 SAM ATOM 3121 CB SAM X 301 -2.595 -4.462 -4.246 1.00 0.00 SAM C ATOM 3122 HB1 SAM X 301 8.869 -6.439 1.529 1.00 0.00 SAM ATOM 3123 HB2 SAM X 301 -7.182 -5.717 6.406 1.00 0.00 SAM ATOM 3124 CG SAM X 301 1.633 0.642 2.769 1.00 0.00 SAM C ATOM 3125 HG1 SAM X 301 10.086 -2.431 7.243 1.00 0.00 SAM ATOM 3126 HG2 SAM X 301 5.058 4.543 -2.610 1.00 0.00 SAM ATOM 3127 SD SAM X 301 0.852 1.588 5.874 1.00 0.00 SAM S ATOM 3128 C5' SAM X 301 -1.757 0.870 -0.368 1.00 0.00 SAM C ATOM 3129 H5' SAM X 301 3.003 0.263 -18.962 1.00 0.00 SAM ATOM 3130 H5'' SAM X 301 -6.760 -6.072 4.746 1.00 0.00 SAM ATOM 3131 CE SAM X 301 -14.144 0.556 -2.953 1.00 0.00 SAM C ATOM 3132 HE1 SAM X 301 0.778 28.317 15.178 1.00 0.00 SAM ATOM 3133 HE2 SAM X 301 -7.037 2.689 15.970 1.00 0.00 SAM ATOM 3134 HE3 SAM X 301 -5.366 5.359 3.928 1.00 0.00 SAM ATOM 3135 C3' SAM X 301 13.792 2.632 -12.623 1.00 0.00 SAM C ATOM 3136 H3' SAM X 301 4.739 -6.229 -6.858 1.00 0.00 SAM ATOM 3137 O3' SAM X 301 -2.815 -3.660 -3.872 1.00 0.00 SAM O ATOM 3138 H3T SAM X 301 6.993 -30.691 16.732 1.00 0.00 SAM ATOM 3139 C SAM X 301 -0.904 6.162 -3.728 1.00 0.00 SAM C ATOM 3140 OXT SAM X 301 8.042 0.242 2.314 1.00 0.00 SAM O ATOM 3141 O SAM X 301 0.619 6.781 -0.748 1.00 0.00 SAM O ATOM 3142 OH2 TIP3 1 -6.062 -1.424 -8.608 1.00 0.00 WT1 O ATOM 3143 H1 TIP3 1 19.951 0.857 -19.678 1.00 0.00 WT1 H ATOM 3144 H2 TIP3 1 -0.254 -0.130 -6.934 1.00 0.00 WT1 H ATOM 3145 OH2 TIP3 2 2.785 1.987 -5.842 1.00 0.00 WT1 O ATOM 3146 H1 TIP3 2 33.617 -21.744 -7.233 1.00 0.00 WT1 H ATOM 3147 H2 TIP3 2 4.902 12.360 -10.867 1.00 0.00 WT1 H ATOM 3148 OH2 TIP3 3 -1.289 2.200 -4.552 1.00 0.00 WT1 O ATOM 3149 H1 TIP3 3 13.965 -3.296 -6.732 1.00 0.00 WT1 H ATOM 3150 H2 TIP3 3 -2.513 2.652 -4.729 1.00 0.00 WT1 H ATOM 3151 OH2 TIP3 4 1.430 -3.102 -2.367 1.00 0.00 WT1 O ATOM 3152 H1 TIP3 4 -5.898 -7.194 -0.344 1.00 0.00 WT1 H ATOM 3153 H2 TIP3 4 -16.170 -14.214 25.148 1.00 0.00 WT1 H ATOM 3154 OH2 TIP3 5 -1.222 1.661 -4.034 1.00 0.00 WT1 O ATOM 3155 H1 TIP3 5 -4.686 -11.370 -12.652 1.00 0.00 WT1 H ATOM 3156 H2 TIP3 5 6.648 8.507 21.777 1.00 0.00 WT1 H ATOM 3157 OH2 TIP3 6 3.420 2.248 -1.442 1.00 0.00 WT1 O ATOM 3158 H1 TIP3 6 3.144 1.253 -1.519 1.00 0.00 WT1 H ATOM 3159 H2 TIP3 6 7.419 -35.972 -16.010 1.00 0.00 WT1 H ATOM 3160 OH2 TIP3 7 -0.403 4.301 -1.950 1.00 0.00 WT1 O ATOM 3161 H1 TIP3 7 5.279 12.024 -2.143 1.00 0.00 WT1 H ATOM 3162 H2 TIP3 7 -3.108 -4.097 -1.968 1.00 0.00 WT1 H ATOM 3163 OH2 TIP3 8 3.729 0.178 2.215 1.00 0.00 WT1 O ATOM 3164 H1 TIP3 8 21.373 -6.386 4.460 1.00 0.00 WT1 H ATOM 3165 H2 TIP3 8 10.843 24.469 -3.017 1.00 0.00 WT1 H ATOM 3166 OH2 TIP3 9 -9.071 3.846 -3.258 1.00 0.00 WT1 O ATOM 3167 H1 TIP3 9 -10.566 6.804 -9.172 1.00 0.00 WT1 H ATOM 3168 H2 TIP3 9 -21.368 4.068 -10.433 1.00 0.00 WT1 H ATOM 3169 OH2 TIP3 10 -5.587 -2.654 -1.669 1.00 0.00 WT1 O ATOM 3170 H1 TIP3 10 2.638 -45.362 -20.483 1.00 0.00 WT1 H ATOM 3171 H2 TIP3 10 2.921 5.622 -8.242 1.00 0.00 WT1 H ATOM 3172 OH2 TIP3 11 -2.847 1.978 5.226 1.00 0.00 WT1 O ATOM 3173 H1 TIP3 11 -7.037 -0.853 5.662 1.00 0.00 WT1 H ATOM 3174 H2 TIP3 11 1.633 32.374 -21.289 1.00 0.00 WT1 H ATOM 3175 OH2 TIP3 12 -0.625 7.505 3.227 1.00 0.00 WT1 O ATOM 3176 H1 TIP3 12 11.955 7.449 0.498 1.00 0.00 WT1 H ATOM 3177 H2 TIP3 12 -10.324 23.767 -2.728 1.00 0.00 WT1 H ATOM 3178 OH2 TIP3 13 -6.048 3.692 6.374 1.00 0.00 WT1 O ATOM 3179 H1 TIP3 13 13.844 -24.331 27.558 1.00 0.00 WT1 H ATOM 3180 H2 TIP3 13 -0.072 -10.132 -20.519 1.00 0.00 WT1 H ATOM 3181 OH2 TIP3 14 -2.608 -4.245 2.027 1.00 0.00 WT1 O ATOM 3182 H1 TIP3 14 -5.404 1.135 -2.313 1.00 0.00 WT1 H ATOM 3183 H2 TIP3 14 2.907 -3.376 5.408 1.00 0.00 WT1 H ATOM 3184 OH2 TIP3 15 0.918 5.752 1.321 1.00 0.00 WT1 O ATOM 3185 H1 TIP3 15 -0.641 3.669 -9.831 1.00 0.00 WT1 H ATOM 3186 H2 TIP3 15 0.014 2.106 3.391 1.00 0.00 WT1 H ATOM 3187 OH2 TIP3 16 -4.315 2.859 -2.039 1.00 0.00 WT1 O ATOM 3188 H1 TIP3 16 -8.742 -0.437 22.871 1.00 0.00 WT1 H ATOM 3189 H2 TIP3 16 19.382 -2.404 -8.713 1.00 0.00 WT1 H ATOM 3190 OH2 TIP3 17 -2.120 -3.386 -2.829 1.00 0.00 WT1 O ATOM 3191 H1 TIP3 17 -20.349 -9.413 2.485 1.00 0.00 WT1 H ATOM 3192 H2 TIP3 17 -16.940 -13.626 3.157 1.00 0.00 WT1 H ATOM 3193 OH2 TIP3 18 5.766 0.714 1.762 1.00 0.00 WT1 O ATOM 3194 H1 TIP3 18 6.467 17.772 -5.174 1.00 0.00 WT1 H ATOM 3195 H2 TIP3 18 4.513 -10.222 6.991 1.00 0.00 WT1 H ATOM 3196 OH2 TIP3 19 2.516 1.666 -2.546 1.00 0.00 WT1 O ATOM 3197 H1 TIP3 19 16.357 -2.181 -0.277 1.00 0.00 WT1 H ATOM 3198 H2 TIP3 19 7.890 15.532 7.491 1.00 0.00 WT1 H ATOM 3199 OH2 TIP3 20 -7.395 3.783 -3.631 1.00 0.00 WT1 O ATOM 3200 H1 TIP3 20 -7.576 7.599 -8.214 1.00 0.00 WT1 H ATOM 3201 H2 TIP3 20 -5.846 -18.031 19.196 1.00 0.00 WT1 H ATOM 3202 OH2 TIP3 21 -2.100 -3.035 4.346 1.00 0.00 WT1 O ATOM 3203 H1 TIP3 21 -7.836 -3.915 4.902 1.00 0.00 WT1 H ATOM 3204 H2 TIP3 21 -1.705 2.026 6.386 1.00 0.00 WT1 H ATOM 3205 OH2 TIP3 22 -4.772 -5.388 -4.383 1.00 0.00 WT1 O ATOM 3206 H1 TIP3 22 5.506 7.186 4.490 1.00 0.00 WT1 H ATOM 3207 H2 TIP3 22 -9.671 3.356 13.284 1.00 0.00 WT1 H ATOM 3208 OH2 TIP3 23 2.746 -0.643 -2.236 1.00 0.00 WT1 O ATOM 3209 H1 TIP3 23 -1.893 -3.171 -4.721 1.00 0.00 WT1 H ATOM 3210 H2 TIP3 23 27.305 -1.491 -0.772 1.00 0.00 WT1 H ATOM 3211 OH2 TIP3 24 7.030 -1.629 2.638 1.00 0.00 WT1 O ATOM 3212 H1 TIP3 24 4.943 19.165 -9.329 1.00 0.00 WT1 H ATOM 3213 H2 TIP3 24 -0.439 -10.818 6.422 1.00 0.00 WT1 H ATOM 3214 OH2 TIP3 25 -0.585 -1.441 -9.083 1.00 0.00 WT1 O ATOM 3215 H1 TIP3 25 -1.754 -19.722 -17.580 1.00 0.00 WT1 H ATOM 3216 H2 TIP3 25 1.946 10.388 -5.840 1.00 0.00 WT1 H ATOM 3217 OH2 TIP3 26 -4.094 -3.091 2.056 1.00 0.00 WT1 O ATOM 3218 H1 TIP3 26 -13.983 -18.740 7.257 1.00 0.00 WT1 H ATOM 3219 H2 TIP3 26 6.766 -7.177 -10.460 1.00 0.00 WT1 H ATOM 3220 OH2 TIP3 27 -2.125 4.127 -0.017 1.00 0.00 WT1 O ATOM 3221 H1 TIP3 27 -10.457 9.352 -8.632 1.00 0.00 WT1 H ATOM 3222 H2 TIP3 27 -1.266 9.762 18.156 1.00 0.00 WT1 H ATOM 3223 OH2 TIP3 28 7.600 5.880 0.142 1.00 0.00 WT1 O ATOM 3224 H1 TIP3 28 22.886 10.813 -2.158 1.00 0.00 WT1 H ATOM 3225 H2 TIP3 28 -15.336 14.789 -12.313 1.00 0.00 WT1 H ATOM 3226 OH2 TIP3 29 2.576 -0.203 -9.054 1.00 0.00 WT1 O ATOM 3227 H1 TIP3 29 2.423 -10.439 6.749 1.00 0.00 WT1 H ATOM 3228 H2 TIP3 29 7.069 0.046 -5.921 1.00 0.00 WT1 H ATOM 3229 OH2 TIP3 30 3.284 -6.699 1.069 1.00 0.00 WT1 O ATOM 3230 H1 TIP3 30 6.339 -31.816 -14.750 1.00 0.00 WT1 H ATOM 3231 H2 TIP3 30 11.390 -13.888 -19.550 1.00 0.00 WT1 H ATOM 3232 OH2 TIP3 31 0.407 -2.725 1.697 1.00 0.00 WT1 O ATOM 3233 H1 TIP3 31 -18.418 18.739 -28.772 1.00 0.00 WT1 H ATOM 3234 H2 TIP3 31 22.834 1.854 9.510 1.00 0.00 WT1 H ATOM 3235 OH2 TIP3 32 -1.526 0.537 2.113 1.00 0.00 WT1 O ATOM 3236 H1 TIP3 32 21.739 -9.389 -5.356 1.00 0.00 WT1 H ATOM 3237 H2 TIP3 32 17.512 -3.968 -7.972 1.00 0.00 WT1 H ATOM 3238 OH2 TIP3 33 0.940 -5.284 0.802 1.00 0.00 WT1 O ATOM 3239 H1 TIP3 33 2.971 -8.968 -2.432 1.00 0.00 WT1 H ATOM 3240 H2 TIP3 33 12.844 -4.059 -3.583 1.00 0.00 WT1 H ATOM 3241 OH2 TIP3 34 6.805 5.322 -0.752 1.00 0.00 WT1 O ATOM 3242 H1 TIP3 34 3.248 -15.864 -1.235 1.00 0.00 WT1 H ATOM 3243 H2 TIP3 34 15.323 20.650 -7.467 1.00 0.00 WT1 H ATOM 3244 OH2 TIP3 35 1.249 -0.878 -5.501 1.00 0.00 WT1 O ATOM 3245 H1 TIP3 35 17.228 -4.792 5.848 1.00 0.00 WT1 H ATOM 3246 H2 TIP3 35 -21.655 9.230 -26.384 1.00 0.00 WT1 H ATOM 3247 OH2 TIP3 38 -4.516 -4.721 -3.581 1.00 0.00 WT1 O ATOM 3248 H1 TIP3 38 18.916 -17.187 -23.447 1.00 0.00 WT1 H ATOM 3249 H2 TIP3 38 4.865 -5.251 35.659 1.00 0.00 WT1 H ATOM 3250 OH2 TIP3 39 2.264 -1.679 -5.115 1.00 0.00 WT1 O ATOM 3251 H1 TIP3 39 23.173 -16.980 -9.970 1.00 0.00 WT1 H ATOM 3252 H2 TIP3 39 -2.197 6.235 -18.904 1.00 0.00 WT1 H ATOM 3253 OH2 TIP3 40 -0.591 5.346 -7.841 1.00 0.00 WT1 O ATOM 3254 H1 TIP3 40 -5.501 4.946 -3.744 1.00 0.00 WT1 H ATOM 3255 H2 TIP3 40 -2.386 14.625 -19.021 1.00 0.00 WT1 H ATOM 3256 OH2 TIP3 41 -2.924 -4.009 3.373 1.00 0.00 WT1 O ATOM 3257 H1 TIP3 41 -16.353 -13.387 13.172 1.00 0.00 WT1 H ATOM 3258 H2 TIP3 41 3.828 -16.892 -7.988 1.00 0.00 WT1 H ATOM 3259 OH2 TIP3 42 -4.593 -3.311 -0.249 1.00 0.00 WT1 O ATOM 3260 H1 TIP3 42 1.415 -7.727 -5.842 1.00 0.00 WT1 H ATOM 3261 H2 TIP3 42 -11.494 -25.293 -1.493 1.00 0.00 WT1 H ATOM 3262 OH2 TIP3 43 -4.063 4.647 0.545 1.00 0.00 WT1 O ATOM 3263 H1 TIP3 43 -4.195 -2.152 2.677 1.00 0.00 WT1 H ATOM 3264 H2 TIP3 43 -0.054 33.178 -11.116 1.00 0.00 WT1 H ATOM 3265 OH2 TIP3 44 -4.229 3.203 -3.339 1.00 0.00 WT1 O ATOM 3266 H1 TIP3 44 0.104 10.756 -8.253 1.00 0.00 WT1 H ATOM 3267 H2 TIP3 44 3.048 23.723 -3.762 1.00 0.00 WT1 H ATOM 3268 OH2 TIP3 45 -3.917 5.885 -0.217 1.00 0.00 WT1 O ATOM 3269 H1 TIP3 45 -0.749 9.704 2.856 1.00 0.00 WT1 H ATOM 3270 H2 TIP3 45 -0.928 11.010 -10.538 1.00 0.00 WT1 H ATOM 3271 OH2 TIP3 46 -3.702 9.924 -3.813 1.00 0.00 WT1 O ATOM 3272 H1 TIP3 46 2.851 3.671 -36.325 1.00 0.00 WT1 H ATOM 3273 H2 TIP3 46 2.694 17.579 13.985 1.00 0.00 WT1 H ATOM 3274 OH2 TIP3 47 8.949 0.055 -1.736 1.00 0.00 WT1 O ATOM 3275 H1 TIP3 47 -0.665 8.907 -1.118 1.00 0.00 WT1 H ATOM 3276 H2 TIP3 47 9.477 7.086 9.014 1.00 0.00 WT1 H ATOM 3277 OH2 TIP3 48 2.091 -3.359 -0.928 1.00 0.00 WT1 O ATOM 3278 H1 TIP3 48 -21.539 -12.821 16.066 1.00 0.00 WT1 H ATOM 3279 H2 TIP3 48 0.871 -22.524 -0.419 1.00 0.00 WT1 H ATOM 3280 OH2 TIP3 49 -0.707 -2.132 1.441 1.00 0.00 WT1 O ATOM 3281 H1 TIP3 49 1.008 0.149 9.732 1.00 0.00 WT1 H ATOM 3282 H2 TIP3 49 -3.968 -6.756 -12.704 1.00 0.00 WT1 H ATOM 3283 OH2 TIP3 50 -6.364 -5.156 -3.992 1.00 0.00 WT1 O ATOM 3284 H1 TIP3 50 -12.111 3.522 -4.290 1.00 0.00 WT1 H ATOM 3285 H2 TIP3 50 -5.546 -17.644 -3.395 1.00 0.00 WT1 H ATOM 3286 OH2 TIP3 51 -1.601 4.034 2.749 1.00 0.00 WT1 O ATOM 3287 H1 TIP3 51 19.188 -7.380 27.190 1.00 0.00 WT1 H ATOM 3288 H2 TIP3 51 -5.633 1.031 7.535 1.00 0.00 WT1 H ATOM 3289 OH2 TIP3 52 4.261 5.234 1.378 1.00 0.00 WT1 O ATOM 3290 H1 TIP3 52 -15.864 50.661 7.783 1.00 0.00 WT1 H ATOM 3291 H2 TIP3 52 -12.542 12.272 3.980 1.00 0.00 WT1 H ATOM 3292 OH2 TIP3 53 -2.840 2.027 -3.735 1.00 0.00 WT1 O ATOM 3293 H1 TIP3 53 3.917 -47.915 -22.763 1.00 0.00 WT1 H ATOM 3294 H2 TIP3 53 -9.361 -1.713 12.232 1.00 0.00 WT1 H ATOM 3295 OH2 TIP3 54 -4.182 0.573 2.259 1.00 0.00 WT1 O ATOM 3296 H1 TIP3 54 -11.496 6.019 10.981 1.00 0.00 WT1 H ATOM 3297 H2 TIP3 54 1.768 1.295 -4.641 1.00 0.00 WT1 H ATOM 3298 OH2 TIP3 56 -3.231 -1.473 -2.529 1.00 0.00 WT1 O ATOM 3299 H1 TIP3 56 -14.066 -0.235 -22.618 1.00 0.00 WT1 H ATOM 3300 H2 TIP3 56 12.249 15.336 -3.172 1.00 0.00 WT1 H ATOM 3301 OH2 TIP3 57 -2.900 3.183 1.303 1.00 0.00 WT1 O ATOM 3302 H1 TIP3 57 9.947 15.895 6.210 1.00 0.00 WT1 H ATOM 3303 H2 TIP3 57 -21.178 18.585 2.026 1.00 0.00 WT1 H ATOM 3304 OH2 TIP3 58 2.367 13.463 2.529 1.00 0.00 WT1 O ATOM 3305 H1 TIP3 58 16.970 -22.837 -16.984 1.00 0.00 WT1 H ATOM 3306 H2 TIP3 58 -11.711 9.172 14.454 1.00 0.00 WT1 H ATOM 3307 OH2 TIP3 59 3.595 1.816 -5.519 1.00 0.00 WT1 O ATOM 3308 H1 TIP3 59 -0.482 9.178 -17.441 1.00 0.00 WT1 H ATOM 3309 H2 TIP3 59 -18.525 5.387 14.547 1.00 0.00 WT1 H ATOM 3310 OH2 TIP3 60 0.589 5.198 3.313 1.00 0.00 WT1 O ATOM 3311 H1 TIP3 60 -0.940 5.171 2.825 1.00 0.00 WT1 H ATOM 3312 H2 TIP3 60 5.389 -19.194 9.284 1.00 0.00 WT1 H ATOM 3313 OH2 TIP3 61 -7.162 1.974 -1.398 1.00 0.00 WT1 O ATOM 3314 H1 TIP3 61 9.542 -5.616 -5.772 1.00 0.00 WT1 H ATOM 3315 H2 TIP3 61 -7.336 14.496 -20.691 1.00 0.00 WT1 H ATOM 3316 OH2 TIP3 62 0.529 -3.200 4.388 1.00 0.00 WT1 O ATOM 3317 H1 TIP3 62 -1.055 11.914 -5.715 1.00 0.00 WT1 H ATOM 3318 H2 TIP3 62 1.045 -13.585 22.713 1.00 0.00 WT1 H ATOM 3319 OH2 TIP3 63 3.734 -2.612 2.808 1.00 0.00 WT1 O ATOM 3320 H1 TIP3 63 -10.190 -9.937 -1.481 1.00 0.00 WT1 H ATOM 3321 H2 TIP3 63 -13.592 -29.316 1.416 1.00 0.00 WT1 H ATOM 3322 OH2 TIP3 64 1.749 -0.142 -1.626 1.00 0.00 WT1 O ATOM 3323 H1 TIP3 64 25.064 0.162 4.730 1.00 0.00 WT1 H ATOM 3324 H2 TIP3 64 -9.509 0.455 22.171 1.00 0.00 WT1 H ATOM 3325 OH2 TIP3 65 -3.442 0.859 5.827 1.00 0.00 WT1 O ATOM 3326 H1 TIP3 65 0.766 -1.970 4.765 1.00 0.00 WT1 H ATOM 3327 H2 TIP3 65 -12.678 -2.195 -19.055 1.00 0.00 WT1 H ATOM 3328 OH2 TIP3 66 0.251 6.156 0.372 1.00 0.00 WT1 O ATOM 3329 H1 TIP3 66 -2.850 7.119 -0.569 1.00 0.00 WT1 H ATOM 3330 H2 TIP3 66 -11.466 6.383 4.749 1.00 0.00 WT1 H ATOM 3331 OH2 TIP3 67 -2.273 -6.514 3.083 1.00 0.00 WT1 O ATOM 3332 H1 TIP3 67 -2.948 -31.726 9.403 1.00 0.00 WT1 H ATOM 3333 H2 TIP3 67 -1.128 -25.527 7.983 1.00 0.00 WT1 H ATOM 3334 OH2 TIP3 68 0.716 0.409 4.159 1.00 0.00 WT1 O ATOM 3335 H1 TIP3 68 14.247 -9.958 -1.377 1.00 0.00 WT1 H ATOM 3336 H2 TIP3 68 -1.399 -3.357 11.279 1.00 0.00 WT1 H ATOM 3337 OH2 TIP3 69 -4.279 0.413 4.682 1.00 0.00 WT1 O ATOM 3338 H1 TIP3 69 -16.993 -15.273 20.662 1.00 0.00 WT1 H ATOM 3339 H2 TIP3 69 5.421 -22.184 -29.415 1.00 0.00 WT1 H ATOM 3340 OH2 TIP3 70 5.184 -1.814 -3.824 1.00 0.00 WT1 O ATOM 3341 H1 TIP3 70 -9.389 -2.461 -2.203 1.00 0.00 WT1 H ATOM 3342 H2 TIP3 70 -29.604 -2.470 -7.740 1.00 0.00 WT1 H ATOM 3343 OH2 TIP3 71 -2.331 7.203 -0.929 1.00 0.00 WT1 O ATOM 3344 H1 TIP3 71 -17.891 -11.288 -24.365 1.00 0.00 WT1 H ATOM 3345 H2 TIP3 71 -9.995 -3.811 -8.810 1.00 0.00 WT1 H ATOM 3346 OH2 TIP3 72 2.195 -4.303 3.456 1.00 0.00 WT1 O ATOM 3347 H1 TIP3 72 8.172 14.664 19.507 1.00 0.00 WT1 H ATOM 3348 H2 TIP3 72 -6.229 -1.294 -6.641 1.00 0.00 WT1 H ATOM 3349 OH2 TIP3 73 -3.401 5.771 -2.434 1.00 0.00 WT1 O ATOM 3350 H1 TIP3 73 -2.269 7.433 6.004 1.00 0.00 WT1 H ATOM 3351 H2 TIP3 73 -28.014 -4.063 -6.849 1.00 0.00 WT1 H ATOM 3352 OH2 TIP3 74 -4.430 -1.050 5.526 1.00 0.00 WT1 O ATOM 3353 H1 TIP3 74 -4.023 -6.134 12.676 1.00 0.00 WT1 H ATOM 3354 H2 TIP3 74 10.872 3.636 -1.214 1.00 0.00 WT1 H ATOM 3355 OH2 TIP3 75 1.208 0.120 -7.895 1.00 0.00 WT1 O ATOM 3356 H1 TIP3 75 -3.195 -2.443 -20.378 1.00 0.00 WT1 H ATOM 3357 H2 TIP3 75 -8.318 -12.127 -7.556 1.00 0.00 WT1 H ATOM 3358 OH2 TIP3 76 5.073 0.249 8.597 1.00 0.00 WT1 O ATOM 3359 H1 TIP3 76 -15.744 -1.218 3.738 1.00 0.00 WT1 H ATOM 3360 H2 TIP3 76 -8.602 -2.022 7.530 1.00 0.00 WT1 H ATOM 3361 OH2 TIP3 77 -3.554 6.318 -2.321 1.00 0.00 WT1 O ATOM 3362 H1 TIP3 77 6.913 -8.829 14.501 1.00 0.00 WT1 H ATOM 3363 H2 TIP3 77 -27.062 -0.753 -9.846 1.00 0.00 WT1 H ATOM 3364 OH2 TIP3 78 -5.879 5.897 4.396 1.00 0.00 WT1 O ATOM 3365 H1 TIP3 78 1.891 5.946 6.884 1.00 0.00 WT1 H ATOM 3366 H2 TIP3 78 7.316 7.508 6.407 1.00 0.00 WT1 H ATOM 3367 OH2 TIP3 79 -0.958 3.661 0.049 1.00 0.00 WT1 O ATOM 3368 H1 TIP3 79 9.111 -9.624 -23.046 1.00 0.00 WT1 H ATOM 3369 H2 TIP3 79 15.553 5.343 21.553 1.00 0.00 WT1 H ATOM 3370 OH2 TIP3 80 -6.249 -2.092 2.044 1.00 0.00 WT1 O ATOM 3371 H1 TIP3 80 7.358 5.591 -18.751 1.00 0.00 WT1 H ATOM 3372 H2 TIP3 80 -6.750 -4.315 0.856 1.00 0.00 WT1 H ATOM 3373 OH2 TIP3 81 -1.957 -2.506 -1.727 1.00 0.00 WT1 O ATOM 3374 H1 TIP3 81 0.194 5.482 -5.967 1.00 0.00 WT1 H ATOM 3375 H2 TIP3 81 2.602 -14.166 -11.744 1.00 0.00 WT1 H ATOM 3376 OH2 TIP3 82 4.709 4.679 -2.236 1.00 0.00 WT1 O ATOM 3377 H1 TIP3 82 15.750 14.266 8.722 1.00 0.00 WT1 H ATOM 3378 H2 TIP3 82 5.616 13.522 10.535 1.00 0.00 WT1 H ATOM 3379 OH2 TIP3 83 2.721 -7.327 -0.242 1.00 0.00 WT1 O ATOM 3380 H1 TIP3 83 3.521 -21.314 -3.279 1.00 0.00 WT1 H ATOM 3381 H2 TIP3 83 0.457 -10.749 15.784 1.00 0.00 WT1 H ATOM 3382 OH2 TIP3 84 1.686 -8.183 5.735 1.00 0.00 WT1 O ATOM 3383 H1 TIP3 84 -8.773 2.339 12.729 1.00 0.00 WT1 H ATOM 3384 H2 TIP3 84 7.335 5.534 4.937 1.00 0.00 WT1 H ATOM 3385 OH2 TIP3 85 4.381 2.534 14.170 1.00 0.00 WT1 O ATOM 3386 H1 TIP3 85 -5.739 -13.018 -13.173 1.00 0.00 WT1 H ATOM 3387 H2 TIP3 85 2.387 -1.707 8.140 1.00 0.00 WT1 H ATOM 3388 OH2 TIP3 86 6.841 0.209 11.654 1.00 0.00 WT1 O ATOM 3389 H1 TIP3 86 7.615 -20.020 -3.976 1.00 0.00 WT1 H ATOM 3390 H2 TIP3 86 8.347 -17.727 -2.209 1.00 0.00 WT1 H ATOM 3391 OH2 TIP3 87 1.353 -3.655 -1.585 1.00 0.00 WT1 O ATOM 3392 H1 TIP3 87 9.366 4.322 -1.325 1.00 0.00 WT1 H ATOM 3393 H2 TIP3 87 23.347 -14.877 -2.412 1.00 0.00 WT1 H ATOM 3394 OH2 TIP3 88 0.859 -0.787 5.643 1.00 0.00 WT1 O ATOM 3395 H1 TIP3 88 -10.915 8.406 -11.063 1.00 0.00 WT1 H ATOM 3396 H2 TIP3 88 -18.448 28.630 2.201 1.00 0.00 WT1 H ATOM 3397 OH2 TIP3 89 -8.106 -4.621 -0.885 1.00 0.00 WT1 O ATOM 3398 H1 TIP3 89 -15.607 -2.121 -10.071 1.00 0.00 WT1 H ATOM 3399 H2 TIP3 89 -9.547 -0.046 -3.764 1.00 0.00 WT1 H ATOM 3400 OH2 TIP3 90 -7.332 -2.932 0.810 1.00 0.00 WT1 O ATOM 3401 H1 TIP3 90 -3.615 8.405 3.620 1.00 0.00 WT1 H ATOM 3402 H2 TIP3 90 -11.194 -4.342 5.703 1.00 0.00 WT1 H ATOM 3403 OH2 TIP3 91 0.373 1.685 -5.780 1.00 0.00 WT1 O ATOM 3404 H1 TIP3 91 1.095 2.534 -8.380 1.00 0.00 WT1 H ATOM 3405 H2 TIP3 91 -20.829 6.205 5.885 1.00 0.00 WT1 H ATOM 3406 OH2 TIP3 92 3.101 3.338 -1.589 1.00 0.00 WT1 O ATOM 3407 H1 TIP3 92 -7.083 -12.711 12.901 1.00 0.00 WT1 H ATOM 3408 H2 TIP3 92 16.005 24.097 -16.129 1.00 0.00 WT1 H ATOM 3409 OH2 TIP3 93 -1.324 -0.348 3.517 1.00 0.00 WT1 O ATOM 3410 H1 TIP3 93 -0.356 -18.690 -1.881 1.00 0.00 WT1 H ATOM 3411 H2 TIP3 93 -11.262 0.587 18.195 1.00 0.00 WT1 H ATOM 3412 OH2 TIP3 94 -0.450 -5.337 3.516 1.00 0.00 WT1 O ATOM 3413 H1 TIP3 94 3.069 -4.083 4.498 1.00 0.00 WT1 H ATOM 3414 H2 TIP3 94 -2.480 -2.810 1.865 1.00 0.00 WT1 H ATOM 3415 OH2 TIP3 95 3.637 0.132 1.081 1.00 0.00 WT1 O ATOM 3416 H1 TIP3 95 1.783 -6.648 -13.217 1.00 0.00 WT1 H ATOM 3417 H2 TIP3 95 -17.600 -2.660 -18.688 1.00 0.00 WT1 H ATOM 3418 OH2 TIP3 96 -2.456 -4.908 -4.078 1.00 0.00 WT1 O ATOM 3419 H1 TIP3 96 -19.267 0.274 -3.885 1.00 0.00 WT1 H ATOM 3420 H2 TIP3 96 -9.889 -3.532 -4.331 1.00 0.00 WT1 H ATOM 3421 OH2 TIP3 97 1.321 -4.890 4.208 1.00 0.00 WT1 O ATOM 3422 H1 TIP3 97 7.483 -11.672 -3.243 1.00 0.00 WT1 H ATOM 3423 H2 TIP3 97 -21.042 14.085 0.979 1.00 0.00 WT1 H ATOM 3424 OH2 TIP3 98 1.242 4.044 3.067 1.00 0.00 WT1 O ATOM 3425 H1 TIP3 98 -6.254 8.576 4.138 1.00 0.00 WT1 H ATOM 3426 H2 TIP3 98 6.159 12.244 -5.867 1.00 0.00 WT1 H ATOM 3427 OH2 TIP3 99 -4.624 -4.092 6.740 1.00 0.00 WT1 O ATOM 3428 H1 TIP3 99 21.252 -3.491 -11.755 1.00 0.00 WT1 H ATOM 3429 H2 TIP3 99 -3.293 -15.510 22.650 1.00 0.00 WT1 H ATOM 3430 OH2 TIP3 100 5.718 -3.545 -1.746 1.00 0.00 WT1 O ATOM 3431 H1 TIP3 100 3.250 8.354 7.105 1.00 0.00 WT1 H ATOM 3432 H2 TIP3 100 11.459 -16.449 -10.823 1.00 0.00 WT1 H ATOM 3433 OH2 TIP3 101 -3.161 0.288 3.204 1.00 0.00 WT1 O ATOM 3434 H1 TIP3 101 10.231 3.888 1.338 1.00 0.00 WT1 H ATOM 3435 H2 TIP3 101 -19.917 -34.012 0.940 1.00 0.00 WT1 H ATOM 3436 OH2 TIP3 102 2.593 3.248 4.894 1.00 0.00 WT1 O ATOM 3437 H1 TIP3 102 9.347 12.390 3.603 1.00 0.00 WT1 H ATOM 3438 H2 TIP3 102 6.932 6.877 5.630 1.00 0.00 WT1 H ATOM 3439 OH2 TIP3 103 4.324 -0.062 -2.907 1.00 0.00 WT1 O ATOM 3440 H1 TIP3 103 -13.196 -0.973 -7.484 1.00 0.00 WT1 H ATOM 3441 H2 TIP3 103 -0.598 16.161 2.005 1.00 0.00 WT1 H ATOM 3442 OH2 TIP3 104 3.354 0.087 0.909 1.00 0.00 WT1 O ATOM 3443 H1 TIP3 104 25.434 1.896 11.090 1.00 0.00 WT1 H ATOM 3444 H2 TIP3 104 9.491 6.541 17.752 1.00 0.00 WT1 H ATOM 3445 OH2 TIP3 105 -2.830 -0.426 0.730 1.00 0.00 WT1 O ATOM 3446 H1 TIP3 105 5.312 4.037 11.337 1.00 0.00 WT1 H ATOM 3447 H2 TIP3 105 4.777 -8.384 -5.032 1.00 0.00 WT1 H ATOM 3448 OH2 TIP3 106 -0.790 -0.488 2.607 1.00 0.00 WT1 O ATOM 3449 H1 TIP3 106 7.786 -1.081 -11.970 1.00 0.00 WT1 H ATOM 3450 H2 TIP3 106 -6.962 -11.390 13.873 1.00 0.00 WT1 H ATOM 3451 OH2 TIP3 107 8.611 -7.722 1.878 1.00 0.00 WT1 O ATOM 3452 H1 TIP3 107 -6.367 -4.638 8.526 1.00 0.00 WT1 H ATOM 3453 H2 TIP3 107 14.414 12.011 4.415 1.00 0.00 WT1 H ATOM 3454 OH2 TIP3 108 5.751 0.501 -4.210 1.00 0.00 WT1 O ATOM 3455 H1 TIP3 108 22.531 10.401 -4.324 1.00 0.00 WT1 H ATOM 3456 H2 TIP3 108 -2.043 2.654 -10.677 1.00 0.00 WT1 H ATOM 3457 OH2 TIP3 109 4.166 5.370 6.264 1.00 0.00 WT1 O ATOM 3458 H1 TIP3 109 31.972 -4.774 1.297 1.00 0.00 WT1 H ATOM 3459 H2 TIP3 109 11.681 -5.427 -6.625 1.00 0.00 WT1 H ATOM 3460 OH2 TIP3 110 -1.883 -0.935 1.360 1.00 0.00 WT1 O ATOM 3461 H1 TIP3 110 -3.794 -5.180 -4.082 1.00 0.00 WT1 H ATOM 3462 H2 TIP3 110 -9.556 13.379 3.819 1.00 0.00 WT1 H ATOM 3463 OH2 TIP3 111 -1.009 -5.756 -3.621 1.00 0.00 WT1 O ATOM 3464 H1 TIP3 111 -1.712 3.525 -14.450 1.00 0.00 WT1 H ATOM 3465 H2 TIP3 111 6.940 -13.606 -30.430 1.00 0.00 WT1 H ATOM 3466 OH2 TIP3 112 -3.646 -3.896 -3.344 1.00 0.00 WT1 O ATOM 3467 H1 TIP3 112 3.716 -14.182 -5.052 1.00 0.00 WT1 H ATOM 3468 H2 TIP3 112 5.048 -17.620 5.637 1.00 0.00 WT1 H ATOM 3469 OH2 TIP3 113 -0.050 2.119 -0.018 1.00 0.00 WT1 O ATOM 3470 H1 TIP3 113 0.685 -2.268 3.467 1.00 0.00 WT1 H ATOM 3471 H2 TIP3 113 2.152 7.545 9.039 1.00 0.00 WT1 H ATOM 3472 OH2 TIP3 114 0.116 4.638 4.986 1.00 0.00 WT1 O ATOM 3473 H1 TIP3 114 9.657 2.611 -7.899 1.00 0.00 WT1 H ATOM 3474 H2 TIP3 114 -11.402 -6.556 17.698 1.00 0.00 WT1 H ATOM 3475 OH2 TIP3 115 -1.307 -3.185 3.592 1.00 0.00 WT1 O ATOM 3476 H1 TIP3 115 -13.045 2.558 11.051 1.00 0.00 WT1 H ATOM 3477 H2 TIP3 115 -12.063 -12.729 -0.249 1.00 0.00 WT1 H ATOM 3478 OH2 TIP3 116 -5.231 -2.775 -5.702 1.00 0.00 WT1 O ATOM 3479 H1 TIP3 116 -2.354 2.556 -3.277 1.00 0.00 WT1 H ATOM 3480 H2 TIP3 116 7.476 -8.912 -14.859 1.00 0.00 WT1 H ATOM 3481 OH2 TIP3 117 -6.561 9.638 5.643 1.00 0.00 WT1 O ATOM 3482 H1 TIP3 117 -5.298 4.942 1.043 1.00 0.00 WT1 H ATOM 3483 H2 TIP3 117 -1.403 11.007 8.826 1.00 0.00 WT1 H ATOM 3484 OH2 TIP3 118 4.761 4.048 0.906 1.00 0.00 WT1 O ATOM 3485 H1 TIP3 118 12.981 8.622 11.052 1.00 0.00 WT1 H ATOM 3486 H2 TIP3 118 0.959 -15.713 -3.255 1.00 0.00 WT1 H ATOM 3487 OH2 TIP3 119 2.008 -3.879 3.258 1.00 0.00 WT1 O ATOM 3488 H1 TIP3 119 -4.364 14.381 -5.169 1.00 0.00 WT1 H ATOM 3489 H2 TIP3 119 -4.976 -3.357 28.755 1.00 0.00 WT1 H ATOM 3490 OH2 TIP3 120 -2.741 8.936 -6.386 1.00 0.00 WT1 O ATOM 3491 H1 TIP3 120 1.589 12.308 -8.970 1.00 0.00 WT1 H ATOM 3492 H2 TIP3 120 -0.370 13.313 -1.441 1.00 0.00 WT1 H ATOM 3493 OH2 TIP3 121 -0.678 -2.117 -0.685 1.00 0.00 WT1 O ATOM 3494 H1 TIP3 121 8.681 -34.362 -11.334 1.00 0.00 WT1 H ATOM 3495 H2 TIP3 121 -11.172 -10.976 -0.176 1.00 0.00 WT1 H ATOM 3496 OH2 TIP3 122 9.528 5.665 1.443 1.00 0.00 WT1 O ATOM 3497 H1 TIP3 122 -0.156 -2.779 -3.468 1.00 0.00 WT1 H ATOM 3498 H2 TIP3 122 26.872 11.261 9.399 1.00 0.00 WT1 H ATOM 3499 OH2 TIP3 123 0.106 7.626 -4.097 1.00 0.00 WT1 O ATOM 3500 H1 TIP3 123 -5.404 9.084 7.999 1.00 0.00 WT1 H ATOM 3501 H2 TIP3 123 6.294 9.235 -7.560 1.00 0.00 WT1 H ATOM 3502 OH2 TIP3 124 -2.889 -0.852 -2.153 1.00 0.00 WT1 O ATOM 3503 H1 TIP3 124 15.932 -8.663 12.947 1.00 0.00 WT1 H ATOM 3504 H2 TIP3 124 23.784 4.870 12.583 1.00 0.00 WT1 H ATOM 3505 OH2 TIP3 125 -2.057 3.529 -3.647 1.00 0.00 WT1 O ATOM 3506 H1 TIP3 125 8.319 -2.888 2.440 1.00 0.00 WT1 H ATOM 3507 H2 TIP3 125 -36.866 -10.839 -6.530 1.00 0.00 WT1 H ATOM 3508 OH2 TIP3 126 -2.192 0.492 -3.727 1.00 0.00 WT1 O ATOM 3509 H1 TIP3 126 -3.608 18.189 -21.659 1.00 0.00 WT1 H ATOM 3510 H2 TIP3 126 -4.615 17.030 6.556 1.00 0.00 WT1 H ATOM 3511 OH2 TIP3 127 3.023 -3.997 0.224 1.00 0.00 WT1 O ATOM 3512 H1 TIP3 127 -11.328 -9.875 -6.782 1.00 0.00 WT1 H ATOM 3513 H2 TIP3 127 4.847 -3.006 2.350 1.00 0.00 WT1 H ATOM 3514 OH2 TIP3 128 7.589 3.946 -6.995 1.00 0.00 WT1 O ATOM 3515 H1 TIP3 128 -2.490 -5.358 -14.750 1.00 0.00 WT1 H ATOM 3516 H2 TIP3 128 28.437 -10.137 1.908 1.00 0.00 WT1 H ATOM 3517 OH2 TIP3 129 -0.584 1.475 1.550 1.00 0.00 WT1 O ATOM 3518 H1 TIP3 129 13.162 -0.629 12.588 1.00 0.00 WT1 H ATOM 3519 H2 TIP3 129 7.560 -2.014 -7.857 1.00 0.00 WT1 H ATOM 3520 OH2 TIP3 130 -10.109 4.080 -10.214 1.00 0.00 WT1 O ATOM 3521 H1 TIP3 130 -25.244 11.435 -16.435 1.00 0.00 WT1 H ATOM 3522 H2 TIP3 130 5.367 -1.183 -15.517 1.00 0.00 WT1 H ATOM 3523 OH2 TIP3 131 6.859 -2.705 0.105 1.00 0.00 WT1 O ATOM 3524 H1 TIP3 131 1.573 -6.270 2.952 1.00 0.00 WT1 H ATOM 3525 H2 TIP3 131 27.429 4.010 -2.904 1.00 0.00 WT1 H ATOM 3526 OH2 TIP3 132 -0.864 0.201 -1.783 1.00 0.00 WT1 O ATOM 3527 H1 TIP3 132 -3.355 -2.054 11.455 1.00 0.00 WT1 H ATOM 3528 H2 TIP3 132 -11.858 -1.781 13.698 1.00 0.00 WT1 H ATOM 3529 OH2 TIP3 133 6.006 2.630 4.353 1.00 0.00 WT1 O ATOM 3530 H1 TIP3 133 7.620 1.858 5.622 1.00 0.00 WT1 H ATOM 3531 H2 TIP3 133 7.815 4.349 5.346 1.00 0.00 WT1 H ATOM 3532 OH2 TIP3 134 -3.011 5.723 -0.866 1.00 0.00 WT1 O ATOM 3533 H1 TIP3 134 -2.360 -10.272 -12.231 1.00 0.00 WT1 H ATOM 3534 H2 TIP3 134 -12.112 13.519 0.620 1.00 0.00 WT1 H ATOM 3535 OH2 TIP3 135 2.420 -0.731 -7.943 1.00 0.00 WT1 O ATOM 3536 H1 TIP3 135 3.567 11.748 -16.279 1.00 0.00 WT1 H ATOM 3537 H2 TIP3 135 -12.599 -4.660 -10.110 1.00 0.00 WT1 H ATOM 3538 OH2 TIP3 136 -0.484 6.798 0.567 1.00 0.00 WT1 O ATOM 3539 H1 TIP3 136 -17.756 -3.137 12.407 1.00 0.00 WT1 H ATOM 3540 H2 TIP3 136 -4.311 22.931 -3.758 1.00 0.00 WT1 H ATOM 3541 OH2 TIP3 137 -4.076 2.710 -4.726 1.00 0.00 WT1 O ATOM 3542 H1 TIP3 137 -2.453 10.475 5.142 1.00 0.00 WT1 H ATOM 3543 H2 TIP3 137 -13.729 -7.774 -3.472 1.00 0.00 WT1 H ATOM 3544 OH2 TIP3 138 3.084 -0.085 -6.163 1.00 0.00 WT1 O ATOM 3545 H1 TIP3 138 4.382 -0.402 4.414 1.00 0.00 WT1 H ATOM 3546 H2 TIP3 138 7.684 -2.247 -11.120 1.00 0.00 WT1 H ATOM 3547 OH2 TIP3 139 0.741 -6.755 -7.172 1.00 0.00 WT1 O ATOM 3548 H1 TIP3 139 0.785 9.602 -14.897 1.00 0.00 WT1 H ATOM 3549 H2 TIP3 139 4.778 -1.460 -11.688 1.00 0.00 WT1 H ATOM 3550 OH2 TIP3 140 -2.829 -4.277 -1.739 1.00 0.00 WT1 O ATOM 3551 H1 TIP3 140 -0.343 -8.173 2.332 1.00 0.00 WT1 H ATOM 3552 H2 TIP3 140 2.042 -1.508 1.051 1.00 0.00 WT1 H ATOM 3553 OH2 TIP3 141 -2.499 4.329 0.138 1.00 0.00 WT1 O ATOM 3554 H1 TIP3 141 -1.616 -12.761 -6.559 1.00 0.00 WT1 H ATOM 3555 H2 TIP3 141 0.717 9.400 19.765 1.00 0.00 WT1 H ATOM 3556 OH2 TIP3 142 5.494 2.033 -8.374 1.00 0.00 WT1 O ATOM 3557 H1 TIP3 142 -5.289 -1.049 3.121 1.00 0.00 WT1 H ATOM 3558 H2 TIP3 142 -2.036 6.045 -20.081 1.00 0.00 WT1 H ATOM 3559 OH2 TIP3 143 2.143 -1.337 1.943 1.00 0.00 WT1 O ATOM 3560 H1 TIP3 143 -1.385 4.239 -0.882 1.00 0.00 WT1 H ATOM 3561 H2 TIP3 143 1.028 6.550 0.479 1.00 0.00 WT1 H ATOM 3562 OH2 TIP3 144 2.795 -0.489 3.065 1.00 0.00 WT1 O ATOM 3563 H1 TIP3 144 -6.197 4.369 -10.736 1.00 0.00 WT1 H ATOM 3564 H2 TIP3 144 -2.184 5.206 5.322 1.00 0.00 WT1 H ATOM 3565 OH2 TIP3 145 6.696 0.762 -0.619 1.00 0.00 WT1 O ATOM 3566 H1 TIP3 145 -16.998 14.490 7.491 1.00 0.00 WT1 H ATOM 3567 H2 TIP3 145 11.459 -2.215 -2.881 1.00 0.00 WT1 H ATOM 3568 OH2 TIP3 146 1.574 2.660 3.195 1.00 0.00 WT1 O ATOM 3569 H1 TIP3 146 3.761 1.512 7.519 1.00 0.00 WT1 H ATOM 3570 H2 TIP3 146 3.313 1.598 6.231 1.00 0.00 WT1 H ATOM 3571 OH2 TIP3 147 -1.141 3.359 0.883 1.00 0.00 WT1 O ATOM 3572 H1 TIP3 147 16.325 12.061 4.490 1.00 0.00 WT1 H ATOM 3573 H2 TIP3 147 -12.631 -1.920 0.434 1.00 0.00 WT1 H ATOM 3574 OH2 TIP3 148 5.567 5.742 0.654 1.00 0.00 WT1 O ATOM 3575 H1 TIP3 148 4.698 3.753 1.717 1.00 0.00 WT1 H ATOM 3576 H2 TIP3 148 3.147 0.476 4.004 1.00 0.00 WT1 H ATOM 3577 OH2 TIP3 149 -4.879 2.744 5.532 1.00 0.00 WT1 O ATOM 3578 H1 TIP3 149 -12.619 6.180 13.768 1.00 0.00 WT1 H ATOM 3579 H2 TIP3 149 3.982 -0.149 -3.016 1.00 0.00 WT1 H ATOM 3580 OH2 TIP3 150 7.483 4.138 -6.017 1.00 0.00 WT1 O ATOM 3581 H1 TIP3 150 19.438 -3.640 17.201 1.00 0.00 WT1 H ATOM 3582 H2 TIP3 150 9.758 -0.179 15.034 1.00 0.00 WT1 H ATOM 3583 OH2 TIP3 151 7.389 3.314 -3.324 1.00 0.00 WT1 O ATOM 3584 H1 TIP3 151 5.187 0.955 -0.422 1.00 0.00 WT1 H ATOM 3585 H2 TIP3 151 8.839 5.605 -4.575 1.00 0.00 WT1 H ATOM 3586 OH2 TIP3 152 0.230 3.087 -0.146 1.00 0.00 WT1 O ATOM 3587 H1 TIP3 152 -6.790 -1.537 14.769 1.00 0.00 WT1 H ATOM 3588 H2 TIP3 152 -25.060 -14.276 17.452 1.00 0.00 WT1 H ATOM 3589 OH2 TIP3 153 1.508 0.989 1.631 1.00 0.00 WT1 O ATOM 3590 H1 TIP3 153 0.446 1.823 0.369 1.00 0.00 WT1 H ATOM 3591 H2 TIP3 153 11.764 -18.973 24.570 1.00 0.00 WT1 H ATOM 3592 OH2 TIP3 154 -3.102 -1.513 -7.222 1.00 0.00 WT1 O ATOM 3593 H1 TIP3 154 -20.769 -22.939 -18.634 1.00 0.00 WT1 H ATOM 3594 H2 TIP3 154 0.122 5.959 -2.760 1.00 0.00 WT1 H ATOM 3595 OH2 TIP3 155 -0.093 -0.771 1.386 1.00 0.00 WT1 O ATOM 3596 H1 TIP3 155 13.201 -6.103 -12.034 1.00 0.00 WT1 H ATOM 3597 H2 TIP3 155 22.592 -6.909 10.780 1.00 0.00 WT1 H ATOM 3598 OH2 TIP3 156 -4.687 -6.254 0.250 1.00 0.00 WT1 O ATOM 3599 H1 TIP3 156 -7.756 12.623 3.798 1.00 0.00 WT1 H ATOM 3600 H2 TIP3 156 8.164 -36.469 -11.913 1.00 0.00 WT1 H ATOM 3601 OH2 TIP3 157 2.125 -3.342 0.574 1.00 0.00 WT1 O ATOM 3602 H1 TIP3 157 -15.559 8.226 14.142 1.00 0.00 WT1 H ATOM 3603 H2 TIP3 157 -10.505 6.872 8.175 1.00 0.00 WT1 H ATOM 3604 OH2 TIP3 158 -4.564 3.410 -6.688 1.00 0.00 WT1 O ATOM 3605 H1 TIP3 158 14.513 18.244 13.889 1.00 0.00 WT1 H ATOM 3606 H2 TIP3 158 8.032 7.996 -36.660 1.00 0.00 WT1 H ATOM 3607 OH2 TIP3 159 -1.667 -5.777 -12.118 1.00 0.00 WT1 O ATOM 3608 H1 TIP3 159 0.940 -4.752 -6.584 1.00 0.00 WT1 H ATOM 3609 H2 TIP3 159 -15.492 -26.642 4.089 1.00 0.00 WT1 H ATOM 3610 OH2 TIP3 160 4.399 2.035 -2.243 1.00 0.00 WT1 O ATOM 3611 H1 TIP3 160 14.173 -11.728 -1.429 1.00 0.00 WT1 H ATOM 3612 H2 TIP3 160 -7.826 8.355 13.014 1.00 0.00 WT1 H ATOM 3613 OH2 TIP3 161 -2.099 0.613 -0.908 1.00 0.00 WT1 O ATOM 3614 H1 TIP3 161 -2.689 13.237 -4.212 1.00 0.00 WT1 H ATOM 3615 H2 TIP3 161 -2.928 -0.120 -2.804 1.00 0.00 WT1 H ATOM 3616 OH2 TIP3 162 -6.783 -0.173 -2.898 1.00 0.00 WT1 O ATOM 3617 H1 TIP3 162 -8.182 -0.933 -4.633 1.00 0.00 WT1 H ATOM 3618 H2 TIP3 162 -2.615 0.079 -6.601 1.00 0.00 WT1 H ATOM 3619 OH2 TIP3 163 -8.741 0.908 -2.983 1.00 0.00 WT1 O ATOM 3620 H1 TIP3 163 25.694 -34.092 -1.386 1.00 0.00 WT1 H ATOM 3621 H2 TIP3 163 -3.957 1.564 -12.897 1.00 0.00 WT1 H ATOM 3622 OH2 TIP3 164 0.224 -3.764 1.959 1.00 0.00 WT1 O ATOM 3623 H1 TIP3 164 14.250 4.165 -9.742 1.00 0.00 WT1 H ATOM 3624 H2 TIP3 164 14.489 4.299 -5.982 1.00 0.00 WT1 H ATOM 3625 OH2 TIP3 165 2.223 -1.945 -6.298 1.00 0.00 WT1 O ATOM 3626 H1 TIP3 165 -7.126 -17.828 -15.111 1.00 0.00 WT1 H ATOM 3627 H2 TIP3 165 -4.669 11.972 11.688 1.00 0.00 WT1 H ATOM 3628 OH2 TIP3 166 -6.952 2.038 -6.219 1.00 0.00 WT1 O ATOM 3629 H1 TIP3 166 -7.219 -17.144 -7.753 1.00 0.00 WT1 H ATOM 3630 H2 TIP3 166 0.432 -7.338 1.203 1.00 0.00 WT1 H ATOM 3631 OH2 TIP3 167 0.150 -0.633 -1.105 1.00 0.00 WT1 O ATOM 3632 H1 TIP3 167 -12.709 -15.475 -7.786 1.00 0.00 WT1 H ATOM 3633 H2 TIP3 167 -2.961 11.676 10.160 1.00 0.00 WT1 H ATOM 3634 OH2 TIP3 168 5.258 -1.198 7.037 1.00 0.00 WT1 O ATOM 3635 H1 TIP3 168 -0.268 7.425 2.831 1.00 0.00 WT1 H ATOM 3636 H2 TIP3 168 0.914 -8.208 16.026 1.00 0.00 WT1 H ATOM 3637 OH2 TIP3 169 1.705 1.234 -3.956 1.00 0.00 WT1 O ATOM 3638 H1 TIP3 169 -4.266 16.181 -10.785 1.00 0.00 WT1 H ATOM 3639 H2 TIP3 169 5.481 41.739 -2.631 1.00 0.00 WT1 H ATOM 3640 OH2 TIP3 170 6.636 6.899 8.251 1.00 0.00 WT1 O ATOM 3641 H1 TIP3 170 2.951 32.660 23.055 1.00 0.00 WT1 H ATOM 3642 H2 TIP3 170 7.688 4.220 4.297 1.00 0.00 WT1 H ATOM 3643 OH2 TIP3 171 -3.575 -2.963 -2.826 1.00 0.00 WT1 O ATOM 3644 H1 TIP3 171 15.729 -0.206 -5.394 1.00 0.00 WT1 H ATOM 3645 H2 TIP3 171 -21.431 -18.448 -26.115 1.00 0.00 WT1 H ATOM 3646 OH2 TIP3 172 1.030 -2.613 -1.291 1.00 0.00 WT1 O ATOM 3647 H1 TIP3 172 -16.918 2.819 -2.969 1.00 0.00 WT1 H ATOM 3648 H2 TIP3 172 0.192 -12.438 0.763 1.00 0.00 WT1 H ATOM 3649 OH2 TIP3 173 -2.847 -5.584 0.409 1.00 0.00 WT1 O ATOM 3650 H1 TIP3 173 -1.724 -2.296 -9.076 1.00 0.00 WT1 H ATOM 3651 H2 TIP3 173 -11.858 9.008 -1.241 1.00 0.00 WT1 H ATOM 3652 OH2 TIP3 174 7.227 7.408 6.779 1.00 0.00 WT1 O ATOM 3653 H1 TIP3 174 2.393 5.621 10.663 1.00 0.00 WT1 H ATOM 3654 H2 TIP3 174 -2.273 9.066 27.437 1.00 0.00 WT1 H ATOM 3655 OH2 TIP3 176 3.599 1.790 -4.748 1.00 0.00 WT1 O ATOM 3656 H1 TIP3 176 14.444 -21.441 -12.309 1.00 0.00 WT1 H ATOM 3657 H2 TIP3 176 14.236 2.303 -2.542 1.00 0.00 WT1 H ATOM 3658 OH2 TIP3 177 5.620 -1.140 -6.660 1.00 0.00 WT1 O ATOM 3659 H1 TIP3 177 -13.039 26.545 -10.924 1.00 0.00 WT1 H ATOM 3660 H2 TIP3 177 -10.273 24.682 -7.763 1.00 0.00 WT1 H ATOM 3661 OH2 TIP3 178 1.219 -4.585 0.119 1.00 0.00 WT1 O ATOM 3662 H1 TIP3 178 20.817 9.860 -14.343 1.00 0.00 WT1 H ATOM 3663 H2 TIP3 178 16.626 6.790 -10.092 1.00 0.00 WT1 H ATOM 3664 OH2 TIP3 179 3.113 -1.230 -1.478 1.00 0.00 WT1 O ATOM 3665 H1 TIP3 179 -6.108 -1.608 -8.541 1.00 0.00 WT1 H ATOM 3666 H2 TIP3 179 7.623 -11.315 -2.650 1.00 0.00 WT1 H ATOM 3667 OH2 TIP3 180 4.291 -2.671 -2.925 1.00 0.00 WT1 O ATOM 3668 H1 TIP3 180 -1.546 5.582 7.754 1.00 0.00 WT1 H ATOM 3669 H2 TIP3 180 0.265 5.018 2.115 1.00 0.00 WT1 H ATOM 3670 OH2 TIP3 181 -0.268 -4.716 -1.194 1.00 0.00 WT1 O ATOM 3671 H1 TIP3 181 -5.999 -9.861 6.072 1.00 0.00 WT1 H ATOM 3672 H2 TIP3 181 2.359 -2.005 -8.923 1.00 0.00 WT1 H ATOM 3673 OH2 TIP3 182 2.877 -0.265 4.736 1.00 0.00 WT1 O ATOM 3674 H1 TIP3 182 4.421 -10.177 12.852 1.00 0.00 WT1 H ATOM 3675 H2 TIP3 182 -16.156 -16.567 -4.826 1.00 0.00 WT1 H ATOM 3676 OH2 TIP3 183 -3.909 5.654 10.284 1.00 0.00 WT1 O ATOM 3677 H1 TIP3 183 15.861 12.567 24.032 1.00 0.00 WT1 H ATOM 3678 H2 TIP3 183 -26.381 -1.755 -4.551 1.00 0.00 WT1 H ATOM 3679 OH2 TIP3 184 9.023 0.574 -4.306 1.00 0.00 WT1 O ATOM 3680 H1 TIP3 184 3.322 -1.891 -12.715 1.00 0.00 WT1 H ATOM 3681 H2 TIP3 184 30.421 2.607 17.836 1.00 0.00 WT1 H ATOM 3682 OH2 TIP3 185 -0.136 0.876 3.477 1.00 0.00 WT1 O ATOM 3683 H1 TIP3 185 -15.253 -4.135 -8.156 1.00 0.00 WT1 H ATOM 3684 H2 TIP3 185 -5.074 -4.633 3.807 1.00 0.00 WT1 H ATOM 3685 OH2 TIP3 186 3.801 -1.688 9.979 1.00 0.00 WT1 O ATOM 3686 H1 TIP3 186 -9.171 5.275 9.377 1.00 0.00 WT1 H ATOM 3687 H2 TIP3 186 1.308 -2.210 9.026 1.00 0.00 WT1 H ATOM 3688 OH2 TIP3 187 4.473 6.882 1.647 1.00 0.00 WT1 O ATOM 3689 H1 TIP3 187 -3.479 -6.733 7.401 1.00 0.00 WT1 H ATOM 3690 H2 TIP3 187 5.251 -1.649 -1.274 1.00 0.00 WT1 H ATOM 3691 OH2 TIP3 188 2.480 0.053 3.685 1.00 0.00 WT1 O ATOM 3692 H1 TIP3 188 17.543 9.675 5.243 1.00 0.00 WT1 H ATOM 3693 H2 TIP3 188 -9.091 -15.058 0.443 1.00 0.00 WT1 H ATOM 3694 OH2 TIP3 190 3.317 1.529 -0.002 1.00 0.00 WT1 O ATOM 3695 H1 TIP3 190 -7.139 10.811 -7.491 1.00 0.00 WT1 H ATOM 3696 H2 TIP3 190 -2.482 -14.714 4.465 1.00 0.00 WT1 H ATOM 3697 OH2 TIP3 191 -0.910 6.604 5.136 1.00 0.00 WT1 O ATOM 3698 H1 TIP3 191 -5.643 3.773 -11.018 1.00 0.00 WT1 H ATOM 3699 H2 TIP3 191 2.271 -0.197 -6.132 1.00 0.00 WT1 H ATOM 3700 OH2 TIP3 192 1.676 -9.046 -3.494 1.00 0.00 WT1 O ATOM 3701 H1 TIP3 192 -10.796 -6.433 -7.841 1.00 0.00 WT1 H ATOM 3702 H2 TIP3 192 13.918 6.747 -10.463 1.00 0.00 WT1 H ATOM 3703 OH2 TIP3 193 2.780 -4.757 -0.271 1.00 0.00 WT1 O ATOM 3704 H1 TIP3 193 16.665 -4.661 14.839 1.00 0.00 WT1 H ATOM 3705 H2 TIP3 193 -6.457 6.985 -1.374 1.00 0.00 WT1 H ATOM 3706 OH2 TIP3 195 3.559 -2.562 -8.803 1.00 0.00 WT1 O ATOM 3707 H1 TIP3 195 2.139 6.928 -18.305 1.00 0.00 WT1 H ATOM 3708 H2 TIP3 195 13.104 -14.082 3.595 1.00 0.00 WT1 H ATOM 3709 OH2 TIP3 196 -3.808 0.429 -6.935 1.00 0.00 WT1 O ATOM 3710 H1 TIP3 196 -14.264 15.474 5.318 1.00 0.00 WT1 H ATOM 3711 H2 TIP3 196 15.633 -7.042 -6.186 1.00 0.00 WT1 H ATOM 3712 OH2 TIP3 198 4.593 3.726 3.819 1.00 0.00 WT1 O ATOM 3713 H1 TIP3 198 -4.553 -9.915 -16.355 1.00 0.00 WT1 H ATOM 3714 H2 TIP3 198 -6.643 2.474 14.834 1.00 0.00 WT1 H ATOM 3715 OH2 TIP3 199 1.429 2.181 -1.137 1.00 0.00 WT1 O ATOM 3716 H1 TIP3 199 -1.566 2.025 1.719 1.00 0.00 WT1 H ATOM 3717 H2 TIP3 199 9.655 9.399 4.860 1.00 0.00 WT1 H ATOM 3718 OH2 TIP3 200 -0.946 4.710 2.650 1.00 0.00 WT1 O ATOM 3719 H1 TIP3 200 -7.002 -3.491 -10.106 1.00 0.00 WT1 H ATOM 3720 H2 TIP3 200 10.990 30.429 7.139 1.00 0.00 WT1 H ATOM 3721 OH2 TIP3 201 2.635 -0.518 -1.672 1.00 0.00 WT1 O ATOM 3722 H1 TIP3 201 8.265 22.130 13.622 1.00 0.00 WT1 H ATOM 3723 H2 TIP3 201 -20.525 -6.005 -3.420 1.00 0.00 WT1 H ATOM 3724 OH2 TIP3 202 -1.319 1.503 2.367 1.00 0.00 WT1 O ATOM 3725 H1 TIP3 202 -10.936 -6.503 -22.775 1.00 0.00 WT1 H ATOM 3726 H2 TIP3 202 -16.783 -11.126 23.606 1.00 0.00 WT1 H ATOM 3727 OH2 TIP3 203 -1.913 -4.980 -1.518 1.00 0.00 WT1 O ATOM 3728 H1 TIP3 203 -4.202 -12.588 -1.643 1.00 0.00 WT1 H ATOM 3729 H2 TIP3 203 -16.122 5.756 4.348 1.00 0.00 WT1 H ATOM 3730 OH2 TIP3 204 0.500 -0.291 -1.166 1.00 0.00 WT1 O ATOM 3731 H1 TIP3 204 1.502 -17.447 -6.372 1.00 0.00 WT1 H ATOM 3732 H2 TIP3 204 21.085 8.493 -20.754 1.00 0.00 WT1 H ATOM 3733 OH2 TIP3 205 1.598 0.835 1.532 1.00 0.00 WT1 O ATOM 3734 H1 TIP3 205 -5.233 -13.317 8.774 1.00 0.00 WT1 H ATOM 3735 H2 TIP3 205 13.949 1.601 -2.784 1.00 0.00 WT1 H ATOM 3736 OH2 TIP3 206 -3.050 -3.542 1.192 1.00 0.00 WT1 O ATOM 3737 H1 TIP3 206 -0.912 -3.797 -0.705 1.00 0.00 WT1 H ATOM 3738 H2 TIP3 206 -9.567 -0.355 0.643 1.00 0.00 WT1 H ATOM 3739 OH2 TIP3 207 -3.061 3.763 -1.483 1.00 0.00 WT1 O ATOM 3740 H1 TIP3 207 7.916 13.777 -1.141 1.00 0.00 WT1 H ATOM 3741 H2 TIP3 207 -8.104 -1.016 6.460 1.00 0.00 WT1 H ATOM 3742 OH2 TIP3 208 0.836 0.278 0.633 1.00 0.00 WT1 O ATOM 3743 H1 TIP3 208 17.739 1.299 -20.892 1.00 0.00 WT1 H ATOM 3744 H2 TIP3 208 -4.734 -0.168 9.432 1.00 0.00 WT1 H ATOM 3745 OH2 TIP3 209 -6.056 -0.305 0.767 1.00 0.00 WT1 O ATOM 3746 H1 TIP3 209 11.608 -7.348 -26.400 1.00 0.00 WT1 H ATOM 3747 H2 TIP3 209 -3.998 -15.399 -0.427 1.00 0.00 WT1 H ATOM 3748 OH2 TIP3 210 -2.403 5.452 -5.325 1.00 0.00 WT1 O ATOM 3749 H1 TIP3 210 -8.418 -2.978 -22.150 1.00 0.00 WT1 H ATOM 3750 H2 TIP3 210 -3.851 -1.981 -9.412 1.00 0.00 WT1 H ATOM 3751 OH2 TIP3 211 -0.051 -3.192 2.166 1.00 0.00 WT1 O ATOM 3752 H1 TIP3 211 -2.856 0.822 8.956 1.00 0.00 WT1 H ATOM 3753 H2 TIP3 211 4.994 0.476 3.473 1.00 0.00 WT1 H ATOM 3754 OH2 TIP3 212 -2.677 0.480 6.077 1.00 0.00 WT1 O ATOM 3755 H1 TIP3 212 -12.662 -17.679 -18.050 1.00 0.00 WT1 H ATOM 3756 H2 TIP3 212 3.949 11.952 -16.202 1.00 0.00 WT1 H ATOM 3757 OH2 TIP3 213 1.936 -2.815 3.323 1.00 0.00 WT1 O ATOM 3758 H1 TIP3 213 1.804 0.957 -8.620 1.00 0.00 WT1 H ATOM 3759 H2 TIP3 213 -1.300 3.883 -10.811 1.00 0.00 WT1 H ATOM 3760 OH2 TIP3 214 1.303 -6.569 0.917 1.00 0.00 WT1 O ATOM 3761 H1 TIP3 214 4.854 -3.379 14.252 1.00 0.00 WT1 H ATOM 3762 H2 TIP3 214 -11.745 2.221 -0.989 1.00 0.00 WT1 H ATOM 3763 OH2 TIP3 215 1.276 1.682 -1.598 1.00 0.00 WT1 O ATOM 3764 H1 TIP3 215 -1.406 5.348 -0.375 1.00 0.00 WT1 H ATOM 3765 H2 TIP3 215 2.420 7.855 -4.504 1.00 0.00 WT1 H ATOM 3766 OH2 TIP3 216 -0.887 1.537 4.039 1.00 0.00 WT1 O ATOM 3767 H1 TIP3 216 7.860 -30.900 -5.783 1.00 0.00 WT1 H ATOM 3768 H2 TIP3 216 25.042 24.631 10.756 1.00 0.00 WT1 H ATOM 3769 OH2 TIP3 217 4.073 4.755 3.727 1.00 0.00 WT1 O ATOM 3770 H1 TIP3 217 -3.651 -3.657 21.489 1.00 0.00 WT1 H ATOM 3771 H2 TIP3 217 18.570 10.975 -11.885 1.00 0.00 WT1 H ATOM 3772 OH2 TIP3 219 5.078 4.458 -3.436 1.00 0.00 WT1 O ATOM 3773 H1 TIP3 219 2.759 12.095 6.439 1.00 0.00 WT1 H ATOM 3774 H2 TIP3 219 0.876 8.373 -21.197 1.00 0.00 WT1 H ATOM 3775 OH2 TIP3 220 -4.869 -2.480 -2.458 1.00 0.00 WT1 O ATOM 3776 H1 TIP3 220 2.842 -27.235 -3.455 1.00 0.00 WT1 H ATOM 3777 H2 TIP3 220 11.505 10.940 5.983 1.00 0.00 WT1 H ATOM 3778 OH2 TIP3 221 2.339 -2.571 -7.229 1.00 0.00 WT1 O ATOM 3779 H1 TIP3 221 -1.176 15.588 -1.328 1.00 0.00 WT1 H ATOM 3780 H2 TIP3 221 -0.928 -8.559 -26.779 1.00 0.00 WT1 H ATOM 3781 OH2 TIP3 222 -7.835 0.778 2.726 1.00 0.00 WT1 O ATOM 3782 H1 TIP3 222 18.206 -0.443 11.903 1.00 0.00 WT1 H ATOM 3783 H2 TIP3 222 -8.316 1.177 3.086 1.00 0.00 WT1 H ATOM 3784 OH2 TIP3 223 -3.341 5.382 4.666 1.00 0.00 WT1 O ATOM 3785 H1 TIP3 223 -15.243 18.608 8.646 1.00 0.00 WT1 H ATOM 3786 H2 TIP3 223 -3.105 8.807 4.748 1.00 0.00 WT1 H ATOM 3787 OH2 TIP3 224 -5.380 5.390 1.673 1.00 0.00 WT1 O ATOM 3788 H1 TIP3 224 -47.129 8.917 4.650 1.00 0.00 WT1 H ATOM 3789 H2 TIP3 224 21.281 0.585 14.029 1.00 0.00 WT1 H ATOM 3790 OH2 TIP3 225 -4.449 -2.121 0.254 1.00 0.00 WT1 O ATOM 3791 H1 TIP3 225 11.433 -5.249 3.205 1.00 0.00 WT1 H ATOM 3792 H2 TIP3 225 -13.332 -5.874 16.120 1.00 0.00 WT1 H ATOM 3793 OH2 TIP3 226 0.108 6.641 0.677 1.00 0.00 WT1 O ATOM 3794 H1 TIP3 226 2.646 22.234 12.261 1.00 0.00 WT1 H ATOM 3795 H2 TIP3 226 1.020 -10.865 9.242 1.00 0.00 WT1 H ATOM 3796 OH2 TIP3 227 -1.043 -2.258 -0.773 1.00 0.00 WT1 O ATOM 3797 H1 TIP3 227 12.978 4.348 3.510 1.00 0.00 WT1 H ATOM 3798 H2 TIP3 227 -9.073 6.134 5.328 1.00 0.00 WT1 H ATOM 3799 OH2 TIP3 228 5.109 -1.551 6.193 1.00 0.00 WT1 O ATOM 3800 H1 TIP3 228 4.589 -10.237 19.437 1.00 0.00 WT1 H ATOM 3801 H2 TIP3 228 1.764 8.373 -6.336 1.00 0.00 WT1 H ATOM 3802 OH2 TIP3 229 -2.569 4.451 -7.238 1.00 0.00 WT1 O ATOM 3803 H1 TIP3 229 2.149 -2.640 -27.528 1.00 0.00 WT1 H ATOM 3804 H2 TIP3 229 -12.252 5.222 -10.770 1.00 0.00 WT1 H ATOM 3805 OH2 TIP3 230 -1.511 -0.269 1.513 1.00 0.00 WT1 O ATOM 3806 H1 TIP3 230 7.774 5.083 2.719 1.00 0.00 WT1 H ATOM 3807 H2 TIP3 230 -1.125 -1.915 14.331 1.00 0.00 WT1 H ATOM 3808 OH2 TIP3 231 -10.885 4.665 -1.077 1.00 0.00 WT1 O ATOM 3809 H1 TIP3 231 6.008 -4.128 9.008 1.00 0.00 WT1 H ATOM 3810 H2 TIP3 231 -5.487 -2.480 8.338 1.00 0.00 WT1 H ATOM 3811 OH2 TIP3 232 -0.146 0.680 -4.443 1.00 0.00 WT1 O ATOM 3812 H1 TIP3 232 -9.364 3.247 -11.493 1.00 0.00 WT1 H ATOM 3813 H2 TIP3 232 -25.110 10.737 -16.701 1.00 0.00 WT1 H ATOM 3814 OH2 TIP3 233 5.620 2.423 -0.530 1.00 0.00 WT1 O ATOM 3815 H1 TIP3 233 -0.151 23.016 -5.922 1.00 0.00 WT1 H ATOM 3816 H2 TIP3 233 -3.121 30.024 -10.218 1.00 0.00 WT1 H ATOM 3817 OH2 TIP3 234 1.437 -0.785 3.500 1.00 0.00 WT1 O ATOM 3818 H1 TIP3 234 -11.380 -13.265 6.341 1.00 0.00 WT1 H ATOM 3819 H2 TIP3 234 2.429 -5.489 -9.802 1.00 0.00 WT1 H ATOM 3820 OH2 TIP3 235 0.200 -3.293 6.721 1.00 0.00 WT1 O ATOM 3821 H1 TIP3 235 -0.668 -6.509 -2.758 1.00 0.00 WT1 H ATOM 3822 H2 TIP3 235 4.648 11.638 -7.858 1.00 0.00 WT1 H ATOM 3823 OH2 TIP3 236 1.491 1.610 -6.457 1.00 0.00 WT1 O ATOM 3824 H1 TIP3 236 12.928 -15.600 -8.123 1.00 0.00 WT1 H ATOM 3825 H2 TIP3 236 21.244 20.568 14.781 1.00 0.00 WT1 H ATOM 3826 OH2 TIP3 237 -0.558 -8.562 1.405 1.00 0.00 WT1 O ATOM 3827 H1 TIP3 237 -6.602 -9.406 -1.616 1.00 0.00 WT1 H ATOM 3828 H2 TIP3 237 -19.975 -13.176 -25.127 1.00 0.00 WT1 H ATOM 3829 OH2 TIP3 238 -6.136 -3.757 -0.276 1.00 0.00 WT1 O ATOM 3830 H1 TIP3 238 -41.180 -19.416 18.320 1.00 0.00 WT1 H ATOM 3831 H2 TIP3 238 5.784 -18.048 9.666 1.00 0.00 WT1 H ATOM 3832 OH2 TIP3 239 0.194 -3.209 -0.833 1.00 0.00 WT1 O ATOM 3833 H1 TIP3 239 -13.564 -12.336 -0.828 1.00 0.00 WT1 H ATOM 3834 H2 TIP3 239 3.199 -1.447 4.376 1.00 0.00 WT1 H ATOM 3835 OH2 TIP3 240 1.372 -3.076 0.824 1.00 0.00 WT1 O ATOM 3836 H1 TIP3 240 4.140 -0.704 9.888 1.00 0.00 WT1 H ATOM 3837 H2 TIP3 240 10.968 -15.075 0.852 1.00 0.00 WT1 H ATOM 3838 OH2 TIP3 241 -1.219 2.314 7.341 1.00 0.00 WT1 O ATOM 3839 H1 TIP3 241 4.342 -6.048 11.258 1.00 0.00 WT1 H ATOM 3840 H2 TIP3 241 -0.533 1.067 10.792 1.00 0.00 WT1 H ATOM 3841 OH2 TIP3 242 2.550 -0.451 -0.226 1.00 0.00 WT1 O ATOM 3842 H1 TIP3 242 8.737 1.505 -4.313 1.00 0.00 WT1 H ATOM 3843 H2 TIP3 242 4.935 -2.342 -0.213 1.00 0.00 WT1 H ATOM 3844 OH2 TIP3 243 0.328 7.827 3.450 1.00 0.00 WT1 O ATOM 3845 H1 TIP3 243 -4.638 3.559 -5.738 1.00 0.00 WT1 H ATOM 3846 H2 TIP3 243 -5.606 0.045 18.920 1.00 0.00 WT1 H ATOM 3847 OH2 TIP3 244 5.723 5.088 -4.670 1.00 0.00 WT1 O ATOM 3848 H1 TIP3 244 -1.825 -1.199 -4.820 1.00 0.00 WT1 H ATOM 3849 H2 TIP3 244 -0.974 16.870 4.591 1.00 0.00 WT1 H ATOM 3850 OH2 TIP3 245 2.110 5.159 -2.951 1.00 0.00 WT1 O ATOM 3851 H1 TIP3 245 -13.012 -0.461 2.827 1.00 0.00 WT1 H ATOM 3852 H2 TIP3 245 -6.747 9.242 9.040 1.00 0.00 WT1 H ATOM 3853 OH2 TIP3 246 0.959 2.155 4.453 1.00 0.00 WT1 O ATOM 3854 H1 TIP3 246 2.080 3.867 7.993 1.00 0.00 WT1 H ATOM 3855 H2 TIP3 246 -6.595 2.365 -6.633 1.00 0.00 WT1 H ATOM 3856 OH2 TIP3 247 -4.910 3.493 -2.008 1.00 0.00 WT1 O ATOM 3857 H1 TIP3 247 -3.472 3.133 0.335 1.00 0.00 WT1 H ATOM 3858 H2 TIP3 247 -7.708 6.093 -11.996 1.00 0.00 WT1 H ATOM 3859 OH2 TIP3 248 3.702 3.599 4.221 1.00 0.00 WT1 O ATOM 3860 H1 TIP3 248 -12.322 2.198 11.274 1.00 0.00 WT1 H ATOM 3861 H2 TIP3 248 -7.885 2.564 9.369 1.00 0.00 WT1 H ATOM 3862 OH2 TIP3 249 11.939 -2.839 -7.163 1.00 0.00 WT1 O ATOM 3863 H1 TIP3 249 25.158 10.774 1.936 1.00 0.00 WT1 H ATOM 3864 H2 TIP3 249 13.098 19.498 59.983 1.00 0.00 WT1 H ATOM 3865 OH2 TIP3 250 2.254 5.361 3.946 1.00 0.00 WT1 O ATOM 3866 H1 TIP3 250 17.473 22.466 -8.496 1.00 0.00 WT1 H ATOM 3867 H2 TIP3 250 -5.695 2.888 0.589 1.00 0.00 WT1 H ATOM 3868 OH2 TIP3 251 -1.040 -2.074 -3.462 1.00 0.00 WT1 O ATOM 3869 H1 TIP3 251 -3.606 -8.317 -5.540 1.00 0.00 WT1 H ATOM 3870 H2 TIP3 251 8.055 2.778 -7.319 1.00 0.00 WT1 H ATOM 3871 OH2 TIP3 252 5.012 0.803 1.243 1.00 0.00 WT1 O ATOM 3872 H1 TIP3 252 13.086 -1.688 0.756 1.00 0.00 WT1 H ATOM 3873 H2 TIP3 252 7.556 0.615 -6.218 1.00 0.00 WT1 H ATOM 3874 OH2 TIP3 253 4.650 -2.600 1.943 1.00 0.00 WT1 O ATOM 3875 H1 TIP3 253 9.244 12.294 -20.953 1.00 0.00 WT1 H ATOM 3876 H2 TIP3 253 8.241 -7.155 8.179 1.00 0.00 WT1 H ATOM 3877 OH2 TIP3 254 0.519 -2.004 -3.119 1.00 0.00 WT1 O ATOM 3878 H1 TIP3 254 -4.032 -15.206 3.731 1.00 0.00 WT1 H ATOM 3879 H2 TIP3 254 -11.228 -13.866 1.023 1.00 0.00 WT1 H ATOM 3880 OH2 TIP3 255 -4.482 -0.968 2.301 1.00 0.00 WT1 O ATOM 3881 H1 TIP3 255 -40.587 -18.988 -14.741 1.00 0.00 WT1 H ATOM 3882 H2 TIP3 255 14.775 -16.956 15.129 1.00 0.00 WT1 H ATOM 3883 OH2 TIP3 256 4.587 0.903 3.566 1.00 0.00 WT1 O ATOM 3884 H1 TIP3 256 -0.225 9.416 2.266 1.00 0.00 WT1 H ATOM 3885 H2 TIP3 256 20.346 -9.211 -7.828 1.00 0.00 WT1 H ATOM 3886 OH2 TIP3 257 -5.153 4.224 -4.139 1.00 0.00 WT1 O ATOM 3887 H1 TIP3 257 -8.999 -2.238 -10.477 1.00 0.00 WT1 H ATOM 3888 H2 TIP3 257 12.573 5.781 -3.676 1.00 0.00 WT1 H ATOM 3889 OH2 TIP3 258 -5.131 -0.457 3.853 1.00 0.00 WT1 O ATOM 3890 H1 TIP3 258 -0.708 6.691 1.310 1.00 0.00 WT1 H ATOM 3891 H2 TIP3 258 -4.281 -7.510 5.301 1.00 0.00 WT1 H ATOM 3892 OH2 TIP3 259 -4.624 -11.375 1.442 1.00 0.00 WT1 O ATOM 3893 H1 TIP3 259 -11.770 -10.951 4.568 1.00 0.00 WT1 H ATOM 3894 H2 TIP3 259 -2.539 -0.439 17.747 1.00 0.00 WT1 H ATOM 3895 OH2 TIP3 260 -3.294 6.337 2.593 1.00 0.00 WT1 O ATOM 3896 H1 TIP3 260 -4.853 5.668 -0.957 1.00 0.00 WT1 H ATOM 3897 H2 TIP3 260 -5.339 11.248 -0.920 1.00 0.00 WT1 H ATOM 3898 OH2 TIP3 261 -4.313 -1.290 1.052 1.00 0.00 WT1 O ATOM 3899 H1 TIP3 261 -12.885 -7.470 12.653 1.00 0.00 WT1 H ATOM 3900 H2 TIP3 261 -1.174 26.446 10.301 1.00 0.00 WT1 H ATOM 3901 OH2 TIP3 262 5.241 -3.781 6.418 1.00 0.00 WT1 O ATOM 3902 H1 TIP3 262 2.630 -1.641 18.654 1.00 0.00 WT1 H ATOM 3903 H2 TIP3 262 -6.496 -9.129 -12.819 1.00 0.00 WT1 H ATOM 3904 OH2 TIP3 263 0.446 -4.401 4.341 1.00 0.00 WT1 O ATOM 3905 H1 TIP3 263 -5.271 2.304 9.120 1.00 0.00 WT1 H ATOM 3906 H2 TIP3 263 5.805 -1.775 5.545 1.00 0.00 WT1 H ATOM 3907 OH2 TIP3 264 5.078 0.386 -2.848 1.00 0.00 WT1 O ATOM 3908 H1 TIP3 264 16.156 0.182 -13.985 1.00 0.00 WT1 H ATOM 3909 H2 TIP3 264 2.291 1.279 -0.562 1.00 0.00 WT1 H ATOM 3910 OH2 TIP3 265 8.460 2.180 0.350 1.00 0.00 WT1 O ATOM 3911 H1 TIP3 265 13.433 18.667 -11.710 1.00 0.00 WT1 H ATOM 3912 H2 TIP3 265 -0.188 19.676 -7.316 1.00 0.00 WT1 H ATOM 3913 OH2 TIP3 266 -5.744 -2.017 -1.450 1.00 0.00 WT1 O ATOM 3914 H1 TIP3 266 2.068 -13.289 22.992 1.00 0.00 WT1 H ATOM 3915 H2 TIP3 266 7.382 -12.206 -22.149 1.00 0.00 WT1 H ATOM 3916 OH2 TIP3 267 -3.201 1.859 5.015 1.00 0.00 WT1 O ATOM 3917 H1 TIP3 267 -3.396 2.267 4.782 1.00 0.00 WT1 H ATOM 3918 H2 TIP3 267 -11.438 7.995 3.242 1.00 0.00 WT1 H ATOM 3919 OH2 TIP3 268 -3.417 2.542 5.676 1.00 0.00 WT1 O ATOM 3920 H1 TIP3 268 -0.104 -5.900 8.426 1.00 0.00 WT1 H ATOM 3921 H2 TIP3 268 -1.020 0.378 -1.017 1.00 0.00 WT1 H ATOM 3922 OH2 TIP3 269 4.962 3.494 4.998 1.00 0.00 WT1 O ATOM 3923 H1 TIP3 269 7.659 -7.644 -5.778 1.00 0.00 WT1 H ATOM 3924 H2 TIP3 269 6.556 -25.211 -3.540 1.00 0.00 WT1 H ATOM 3925 OH2 TIP3 270 2.932 0.977 -0.655 1.00 0.00 WT1 O ATOM 3926 H1 TIP3 270 19.413 -6.241 -31.698 1.00 0.00 WT1 H ATOM 3927 H2 TIP3 270 5.870 12.140 20.032 1.00 0.00 WT1 H ATOM 3928 OH2 TIP3 271 -2.379 4.046 -4.113 1.00 0.00 WT1 O ATOM 3929 H1 TIP3 271 10.690 -18.664 -16.810 1.00 0.00 WT1 H ATOM 3930 H2 TIP3 271 12.763 -8.437 -13.408 1.00 0.00 WT1 H ATOM 3931 OH2 TIP3 272 -1.204 1.150 3.145 1.00 0.00 WT1 O ATOM 3932 H1 TIP3 272 16.407 12.543 -3.491 1.00 0.00 WT1 H ATOM 3933 H2 TIP3 272 -16.506 -10.124 9.520 1.00 0.00 WT1 H ATOM 3934 OH2 TIP3 273 -2.786 -0.662 3.101 1.00 0.00 WT1 O ATOM 3935 H1 TIP3 273 -10.763 3.531 33.559 1.00 0.00 WT1 H ATOM 3936 H2 TIP3 273 3.153 0.446 -19.130 1.00 0.00 WT1 H ATOM 3937 OH2 TIP3 274 -1.258 -1.340 5.789 1.00 0.00 WT1 O ATOM 3938 H1 TIP3 274 -3.496 -0.458 2.947 1.00 0.00 WT1 H ATOM 3939 H2 TIP3 274 -7.400 -2.996 2.428 1.00 0.00 WT1 H ATOM 3940 OH2 TIP3 275 -2.534 8.006 -0.004 1.00 0.00 WT1 O ATOM 3941 H1 TIP3 275 -9.993 14.375 -10.473 1.00 0.00 WT1 H ATOM 3942 H2 TIP3 275 -12.711 11.074 -10.567 1.00 0.00 WT1 H ATOM 3943 OH2 TIP3 276 2.481 0.994 -3.350 1.00 0.00 WT1 O ATOM 3944 H1 TIP3 276 -19.662 28.284 -29.831 1.00 0.00 WT1 H ATOM 3945 H2 TIP3 276 0.508 -19.170 -24.062 1.00 0.00 WT1 H ATOM 3946 OH2 TIP3 277 -3.041 0.813 -0.405 1.00 0.00 WT1 O ATOM 3947 H1 TIP3 277 11.966 3.314 5.801 1.00 0.00 WT1 H ATOM 3948 H2 TIP3 277 -7.174 -8.414 -14.533 1.00 0.00 WT1 H ATOM 3949 OH2 TIP3 278 -2.156 6.553 2.221 1.00 0.00 WT1 O ATOM 3950 H1 TIP3 278 -0.510 6.624 10.755 1.00 0.00 WT1 H ATOM 3951 H2 TIP3 278 -2.507 16.831 -0.293 1.00 0.00 WT1 H ATOM 3952 OH2 TIP3 279 2.419 5.380 2.639 1.00 0.00 WT1 O ATOM 3953 H1 TIP3 279 1.663 33.793 -11.199 1.00 0.00 WT1 H ATOM 3954 H2 TIP3 279 13.274 -13.840 -19.470 1.00 0.00 WT1 H ATOM 3955 OH2 TIP3 280 0.416 2.743 -0.148 1.00 0.00 WT1 O ATOM 3956 H1 TIP3 280 1.867 1.641 -0.809 1.00 0.00 WT1 H ATOM 3957 H2 TIP3 280 -4.267 6.466 2.999 1.00 0.00 WT1 H ATOM 3958 OH2 TIP3 281 4.312 -2.452 1.094 1.00 0.00 WT1 O ATOM 3959 H1 TIP3 281 6.815 -11.236 -5.804 1.00 0.00 WT1 H ATOM 3960 H2 TIP3 281 3.412 2.981 8.131 1.00 0.00 WT1 H ATOM 3961 OH2 TIP3 282 -5.266 -2.970 1.578 1.00 0.00 WT1 O ATOM 3962 H1 TIP3 282 -12.178 8.113 -5.281 1.00 0.00 WT1 H ATOM 3963 H2 TIP3 282 3.311 -7.450 3.248 1.00 0.00 WT1 H ATOM 3964 OH2 TIP3 283 -5.460 3.258 0.704 1.00 0.00 WT1 O ATOM 3965 H1 TIP3 283 -6.447 16.314 4.637 1.00 0.00 WT1 H ATOM 3966 H2 TIP3 283 -2.078 12.848 2.508 1.00 0.00 WT1 H ATOM 3967 OH2 TIP3 284 -2.111 -0.322 -2.227 1.00 0.00 WT1 O ATOM 3968 H1 TIP3 284 -10.042 8.314 8.943 1.00 0.00 WT1 H ATOM 3969 H2 TIP3 284 -9.533 -0.328 -0.105 1.00 0.00 WT1 H ATOM 3970 OH2 TIP3 285 -8.139 1.892 -0.882 1.00 0.00 WT1 O ATOM 3971 H1 TIP3 285 24.696 15.515 40.584 1.00 0.00 WT1 H ATOM 3972 H2 TIP3 285 5.931 7.222 15.914 1.00 0.00 WT1 H ATOM 3973 OH2 TIP3 286 5.731 -2.221 1.733 1.00 0.00 WT1 O ATOM 3974 H1 TIP3 286 -17.322 16.565 -47.760 1.00 0.00 WT1 H ATOM 3975 H2 TIP3 286 -3.056 19.670 3.004 1.00 0.00 WT1 H ATOM 3976 OH2 TIP3 287 1.607 -3.220 1.806 1.00 0.00 WT1 O ATOM 3977 H1 TIP3 287 7.652 -5.135 3.737 1.00 0.00 WT1 H ATOM 3978 H2 TIP3 287 -2.766 -3.177 -3.009 1.00 0.00 WT1 H ATOM 3979 OH2 TIP3 288 2.383 -1.797 1.123 1.00 0.00 WT1 O ATOM 3980 H1 TIP3 288 4.947 -0.523 0.630 1.00 0.00 WT1 H ATOM 3981 H2 TIP3 288 -5.238 -3.140 -6.517 1.00 0.00 WT1 H ATOM 3982 OH2 TIP3 289 6.981 5.295 0.876 1.00 0.00 WT1 O ATOM 3983 H1 TIP3 289 4.287 -25.475 -22.656 1.00 0.00 WT1 H ATOM 3984 H2 TIP3 289 0.493 3.364 -1.471 1.00 0.00 WT1 H ATOM 3985 OH2 TIP3 290 -2.607 9.856 -1.182 1.00 0.00 WT1 O ATOM 3986 H1 TIP3 290 -35.496 -5.327 11.016 1.00 0.00 WT1 H ATOM 3987 H2 TIP3 290 -12.659 -21.739 22.030 1.00 0.00 WT1 H ATOM 3988 OH2 TIP3 291 -3.027 -2.023 1.191 1.00 0.00 WT1 O ATOM 3989 H1 TIP3 291 -21.768 24.821 -7.345 1.00 0.00 WT1 H ATOM 3990 H2 TIP3 291 -4.406 -5.568 4.014 1.00 0.00 WT1 H ATOM 3991 OH2 TIP3 292 -3.321 6.717 -3.489 1.00 0.00 WT1 O ATOM 3992 H1 TIP3 292 7.815 9.170 8.268 1.00 0.00 WT1 H ATOM 3993 H2 TIP3 292 -17.628 8.482 -11.170 1.00 0.00 WT1 H ATOM 3994 OH2 TIP3 293 -0.951 -7.267 4.160 1.00 0.00 WT1 O ATOM 3995 H1 TIP3 293 -20.614 1.206 0.091 1.00 0.00 WT1 H ATOM 3996 H2 TIP3 293 -15.318 -11.682 -2.115 1.00 0.00 WT1 H ATOM 3997 OH2 TIP3 294 -2.578 2.399 -5.726 1.00 0.00 WT1 O ATOM 3998 H1 TIP3 294 -5.946 -3.935 8.313 1.00 0.00 WT1 H ATOM 3999 H2 TIP3 294 5.097 16.272 -18.731 1.00 0.00 WT1 H ATOM 4000 OH2 TIP3 295 -7.568 -6.080 3.936 1.00 0.00 WT1 O ATOM 4001 H1 TIP3 295 -19.792 -1.831 10.223 1.00 0.00 WT1 H ATOM 4002 H2 TIP3 295 -12.674 -19.977 -7.243 1.00 0.00 WT1 H ATOM 4003 OH2 TIP3 296 -1.681 -0.806 1.027 1.00 0.00 WT1 O ATOM 4004 H1 TIP3 296 -6.946 2.173 8.571 1.00 0.00 WT1 H ATOM 4005 H2 TIP3 296 -6.812 15.975 5.902 1.00 0.00 WT1 H ATOM 4006 OH2 TIP3 297 3.691 -0.903 -1.705 1.00 0.00 WT1 O ATOM 4007 H1 TIP3 297 11.985 24.642 7.468 1.00 0.00 WT1 H ATOM 4008 H2 TIP3 297 5.503 -23.500 -6.344 1.00 0.00 WT1 H ATOM 4009 OH2 TIP3 298 -0.379 -4.727 -7.536 1.00 0.00 WT1 O ATOM 4010 H1 TIP3 298 3.535 -5.746 -22.941 1.00 0.00 WT1 H ATOM 4011 H2 TIP3 298 -8.584 -3.060 9.988 1.00 0.00 WT1 H ATOM 4012 OH2 TIP3 299 0.592 0.906 2.369 1.00 0.00 WT1 O ATOM 4013 H1 TIP3 299 9.544 -1.277 -10.490 1.00 0.00 WT1 H ATOM 4014 H2 TIP3 299 6.486 4.349 8.224 1.00 0.00 WT1 H ATOM 4015 OH2 TIP3 300 3.242 7.963 -1.598 1.00 0.00 WT1 O ATOM 4016 H1 TIP3 300 2.794 3.483 -4.534 1.00 0.00 WT1 H ATOM 4017 H2 TIP3 300 -0.690 1.955 -7.009 1.00 0.00 WT1 H ATOM 4018 OH2 TIP3 301 -2.588 -0.787 -4.766 1.00 0.00 WT1 O ATOM 4019 H1 TIP3 301 -10.053 -9.279 -16.021 1.00 0.00 WT1 H ATOM 4020 H2 TIP3 301 2.995 17.838 -13.464 1.00 0.00 WT1 H ATOM 4021 OH2 TIP3 302 2.368 -0.249 3.637 1.00 0.00 WT1 O ATOM 4022 H1 TIP3 302 6.945 1.488 7.093 1.00 0.00 WT1 H ATOM 4023 H2 TIP3 302 11.808 11.608 -4.909 1.00 0.00 WT1 H ATOM 4024 OH2 TIP3 303 -6.800 1.779 -0.742 1.00 0.00 WT1 O ATOM 4025 H1 TIP3 303 8.221 10.527 -6.181 1.00 0.00 WT1 H ATOM 4026 H2 TIP3 303 -5.745 -38.611 15.304 1.00 0.00 WT1 H ATOM 4027 OH2 TIP3 304 0.945 2.297 7.574 1.00 0.00 WT1 O ATOM 4028 H1 TIP3 304 -0.527 7.331 -11.513 1.00 0.00 WT1 H ATOM 4029 H2 TIP3 304 -26.660 14.770 16.095 1.00 0.00 WT1 H ATOM 4030 OH2 TIP3 305 -3.974 -1.801 1.409 1.00 0.00 WT1 O ATOM 4031 H1 TIP3 305 -7.066 2.628 13.554 1.00 0.00 WT1 H ATOM 4032 H2 TIP3 305 -11.597 0.189 8.711 1.00 0.00 WT1 H ATOM 4033 OH2 TIP3 306 4.461 -0.342 2.904 1.00 0.00 WT1 O ATOM 4034 H1 TIP3 306 12.393 -15.760 -1.935 1.00 0.00 WT1 H ATOM 4035 H2 TIP3 306 -22.922 11.877 -17.352 1.00 0.00 WT1 H ATOM 4036 OH2 TIP3 307 -3.812 1.123 -6.453 1.00 0.00 WT1 O ATOM 4037 H1 TIP3 307 -3.304 31.344 5.272 1.00 0.00 WT1 H ATOM 4038 H2 TIP3 307 7.911 -17.803 16.328 1.00 0.00 WT1 H ATOM 4039 OH2 TIP3 308 -3.214 -5.568 2.113 1.00 0.00 WT1 O ATOM 4040 H1 TIP3 308 -3.662 -10.656 0.554 1.00 0.00 WT1 H ATOM 4041 H2 TIP3 308 -1.179 11.370 23.230 1.00 0.00 WT1 H ATOM 4042 OH2 TIP3 309 5.856 -4.677 -3.604 1.00 0.00 WT1 O ATOM 4043 H1 TIP3 309 11.887 -3.574 0.079 1.00 0.00 WT1 H ATOM 4044 H2 TIP3 309 1.500 -3.808 -5.724 1.00 0.00 WT1 H ATOM 4045 OH2 TIP3 311 0.039 3.599 -6.521 1.00 0.00 WT1 O ATOM 4046 H1 TIP3 311 0.583 4.768 -0.641 1.00 0.00 WT1 H ATOM 4047 H2 TIP3 311 -0.539 -2.610 -7.077 1.00 0.00 WT1 H ATOM 4048 OH2 TIP3 312 4.822 -4.648 2.243 1.00 0.00 WT1 O ATOM 4049 H1 TIP3 312 -2.223 12.491 7.650 1.00 0.00 WT1 H ATOM 4050 H2 TIP3 312 5.468 -5.266 1.373 1.00 0.00 WT1 H ATOM 4051 OH2 TIP3 313 -0.802 -3.172 -4.551 1.00 0.00 WT1 O ATOM 4052 H1 TIP3 313 -7.090 3.346 1.643 1.00 0.00 WT1 H ATOM 4053 H2 TIP3 313 -0.351 2.013 -14.001 1.00 0.00 WT1 H ATOM 4054 OH2 TIP3 314 -2.443 -4.045 -3.571 1.00 0.00 WT1 O ATOM 4055 H1 TIP3 314 -1.904 -8.096 11.625 1.00 0.00 WT1 H ATOM 4056 H2 TIP3 314 -2.615 -20.688 21.400 1.00 0.00 WT1 H ATOM 4057 OH2 TIP3 316 -0.377 -6.379 0.549 1.00 0.00 WT1 O ATOM 4058 H1 TIP3 316 -2.542 -13.989 12.402 1.00 0.00 WT1 H ATOM 4059 H2 TIP3 316 21.767 9.427 2.925 1.00 0.00 WT1 H ATOM 4060 OH2 TIP3 317 -1.202 -4.083 6.324 1.00 0.00 WT1 O ATOM 4061 H1 TIP3 317 -6.696 -5.196 -25.319 1.00 0.00 WT1 H ATOM 4062 H2 TIP3 317 -2.881 -13.135 24.943 1.00 0.00 WT1 H ATOM 4063 OH2 TIP3 318 -9.374 9.704 4.352 1.00 0.00 WT1 O ATOM 4064 H1 TIP3 318 9.393 4.492 12.810 1.00 0.00 WT1 H ATOM 4065 H2 TIP3 318 -5.640 13.443 -4.243 1.00 0.00 WT1 H ATOM 4066 OH2 TIP3 319 3.826 7.401 3.949 1.00 0.00 WT1 O ATOM 4067 H1 TIP3 319 9.501 11.373 17.466 1.00 0.00 WT1 H ATOM 4068 H2 TIP3 319 -12.197 2.675 -13.032 1.00 0.00 WT1 H ATOM 4069 OH2 TIP3 320 3.113 -0.328 5.127 1.00 0.00 WT1 O ATOM 4070 H1 TIP3 320 -23.104 -17.970 -24.843 1.00 0.00 WT1 H ATOM 4071 H2 TIP3 320 23.535 -4.630 -0.116 1.00 0.00 WT1 H ATOM 4072 OH2 TIP3 321 -6.823 -2.712 -1.089 1.00 0.00 WT1 O ATOM 4073 H1 TIP3 321 13.751 5.810 1.623 1.00 0.00 WT1 H ATOM 4074 H2 TIP3 321 -0.681 2.404 0.393 1.00 0.00 WT1 H ATOM 4075 OH2 TIP3 322 -6.161 1.687 1.815 1.00 0.00 WT1 O ATOM 4076 H1 TIP3 322 -5.581 2.623 5.065 1.00 0.00 WT1 H ATOM 4077 H2 TIP3 322 -9.844 8.159 -16.820 1.00 0.00 WT1 H ATOM 4078 OH2 TIP3 324 -2.591 2.483 -0.779 1.00 0.00 WT1 O ATOM 4079 H1 TIP3 324 3.908 -1.730 -1.897 1.00 0.00 WT1 H ATOM 4080 H2 TIP3 324 -7.022 -20.464 -16.345 1.00 0.00 WT1 H ATOM 4081 OH2 TIP3 325 -5.557 -5.895 1.525 1.00 0.00 WT1 O ATOM 4082 H1 TIP3 325 -5.176 6.201 5.044 1.00 0.00 WT1 H ATOM 4083 H2 TIP3 325 -20.094 -6.136 -3.249 1.00 0.00 WT1 H ATOM 4084 OH2 TIP3 326 -7.557 -0.368 4.706 1.00 0.00 WT1 O ATOM 4085 H1 TIP3 326 -10.233 -6.581 6.975 1.00 0.00 WT1 H ATOM 4086 H2 TIP3 326 -12.739 0.455 -1.976 1.00 0.00 WT1 H ATOM 4087 OH2 TIP3 327 -9.208 1.934 1.592 1.00 0.00 WT1 O ATOM 4088 H1 TIP3 327 -7.598 1.475 -6.318 1.00 0.00 WT1 H ATOM 4089 H2 TIP3 327 -20.287 -6.159 7.130 1.00 0.00 WT1 H ATOM 4090 OH2 TIP3 328 1.320 -4.227 -8.047 1.00 0.00 WT1 O ATOM 4091 H1 TIP3 328 3.380 13.147 -27.351 1.00 0.00 WT1 H ATOM 4092 H2 TIP3 328 -5.614 7.819 0.780 1.00 0.00 WT1 H ATOM 4093 OH2 TIP3 329 1.246 -3.380 0.762 1.00 0.00 WT1 O ATOM 4094 H1 TIP3 329 15.572 16.245 -5.760 1.00 0.00 WT1 H ATOM 4095 H2 TIP3 329 1.719 -14.050 2.167 1.00 0.00 WT1 H ATOM 4096 OH2 TIP3 330 -2.610 1.845 1.500 1.00 0.00 WT1 O ATOM 4097 H1 TIP3 330 -3.236 2.901 1.042 1.00 0.00 WT1 H ATOM 4098 H2 TIP3 330 1.258 -5.678 11.051 1.00 0.00 WT1 H ATOM 4099 OH2 TIP3 331 1.597 -1.476 1.479 1.00 0.00 WT1 O ATOM 4100 H1 TIP3 331 -16.527 2.499 2.060 1.00 0.00 WT1 H ATOM 4101 H2 TIP3 331 7.562 10.650 -1.940 1.00 0.00 WT1 H ATOM 4102 OH2 TIP3 332 -1.380 -1.049 5.041 1.00 0.00 WT1 O ATOM 4103 H1 TIP3 332 3.857 -1.428 5.478 1.00 0.00 WT1 H ATOM 4104 H2 TIP3 332 -5.457 -0.950 2.092 1.00 0.00 WT1 H ATOM 4105 OH2 TIP3 333 0.865 2.910 0.579 1.00 0.00 WT1 O ATOM 4106 H1 TIP3 333 -5.221 -7.717 0.437 1.00 0.00 WT1 H ATOM 4107 H2 TIP3 333 -0.565 11.382 4.975 1.00 0.00 WT1 H ATOM 4108 OH2 TIP3 335 1.834 -2.142 0.961 1.00 0.00 WT1 O ATOM 4109 H1 TIP3 335 1.217 12.088 12.637 1.00 0.00 WT1 H ATOM 4110 H2 TIP3 335 -4.522 21.392 25.267 1.00 0.00 WT1 H ATOM 4111 OH2 TIP3 336 -3.719 -0.324 0.516 1.00 0.00 WT1 O ATOM 4112 H1 TIP3 336 -9.216 4.288 -6.276 1.00 0.00 WT1 H ATOM 4113 H2 TIP3 336 3.178 -22.117 -0.404 1.00 0.00 WT1 H ATOM 4114 OH2 TIP3 337 -4.463 1.994 5.105 1.00 0.00 WT1 O ATOM 4115 H1 TIP3 337 1.449 6.768 -9.071 1.00 0.00 WT1 H ATOM 4116 H2 TIP3 337 6.205 -1.826 -20.068 1.00 0.00 WT1 H ATOM 4117 OH2 TIP3 338 -1.324 -8.877 2.391 1.00 0.00 WT1 O ATOM 4118 H1 TIP3 338 4.018 -2.437 10.069 1.00 0.00 WT1 H ATOM 4119 H2 TIP3 338 9.506 -13.623 -5.460 1.00 0.00 WT1 H ATOM 4120 OH2 TIP3 339 4.635 -7.446 6.376 1.00 0.00 WT1 O ATOM 4121 H1 TIP3 339 -5.586 -5.454 -10.646 1.00 0.00 WT1 H ATOM 4122 H2 TIP3 339 13.724 -24.254 4.530 1.00 0.00 WT1 H ATOM 4123 OH2 TIP3 340 3.633 0.491 2.776 1.00 0.00 WT1 O ATOM 4124 H1 TIP3 340 -32.192 -1.975 -2.238 1.00 0.00 WT1 H ATOM 4125 H2 TIP3 340 -13.383 28.213 0.658 1.00 0.00 WT1 H ATOM 4126 OH2 TIP3 341 -0.148 2.217 -0.219 1.00 0.00 WT1 O ATOM 4127 H1 TIP3 341 2.219 13.685 -19.234 1.00 0.00 WT1 H ATOM 4128 H2 TIP3 341 -9.426 -15.006 -6.334 1.00 0.00 WT1 H ATOM 4129 OH2 TIP3 342 -2.006 -7.640 5.787 1.00 0.00 WT1 O ATOM 4130 H1 TIP3 342 -0.708 4.474 10.729 1.00 0.00 WT1 H ATOM 4131 H2 TIP3 342 12.126 2.580 0.626 1.00 0.00 WT1 H ATOM 4132 OH2 TIP3 343 1.080 -0.527 -2.144 1.00 0.00 WT1 O ATOM 4133 H1 TIP3 343 -0.908 10.775 -20.749 1.00 0.00 WT1 H ATOM 4134 H2 TIP3 343 -8.334 -11.903 -13.401 1.00 0.00 WT1 H ATOM 4135 OH2 TIP3 344 -0.489 3.846 2.163 1.00 0.00 WT1 O ATOM 4136 H1 TIP3 344 -3.047 23.775 4.361 1.00 0.00 WT1 H ATOM 4137 H2 TIP3 344 6.536 -13.432 13.163 1.00 0.00 WT1 H ATOM 4138 OH2 TIP3 345 -6.935 -2.872 -1.492 1.00 0.00 WT1 O ATOM 4139 H1 TIP3 345 -12.810 -4.700 10.328 1.00 0.00 WT1 H ATOM 4140 H2 TIP3 345 -6.450 10.979 -2.578 1.00 0.00 WT1 H ATOM 4141 OH2 TIP3 346 -3.043 -4.858 -6.946 1.00 0.00 WT1 O ATOM 4142 H1 TIP3 346 -1.921 1.852 5.731 1.00 0.00 WT1 H ATOM 4143 H2 TIP3 346 -15.500 -2.305 -11.787 1.00 0.00 WT1 H ATOM 4144 OH2 TIP3 347 -1.802 3.172 1.145 1.00 0.00 WT1 O ATOM 4145 H1 TIP3 347 3.108 1.557 1.693 1.00 0.00 WT1 H ATOM 4146 H2 TIP3 347 3.311 6.239 -6.244 1.00 0.00 WT1 H ATOM 4147 OH2 TIP3 348 -5.202 -5.701 -3.368 1.00 0.00 WT1 O ATOM 4148 H1 TIP3 348 -5.635 2.950 -0.652 1.00 0.00 WT1 H ATOM 4149 H2 TIP3 348 -7.801 13.684 1.610 1.00 0.00 WT1 H ATOM 4150 OH2 TIP3 349 -1.516 0.178 1.443 1.00 0.00 WT1 O ATOM 4151 H1 TIP3 349 -2.103 19.852 -9.909 1.00 0.00 WT1 H ATOM 4152 H2 TIP3 349 -8.501 0.994 7.890 1.00 0.00 WT1 H ATOM 4153 OH2 TIP3 350 4.701 0.804 4.811 1.00 0.00 WT1 O ATOM 4154 H1 TIP3 350 -2.068 -4.022 11.605 1.00 0.00 WT1 H ATOM 4155 H2 TIP3 350 6.385 2.415 -4.390 1.00 0.00 WT1 H ATOM 4156 OH2 TIP3 352 0.193 -4.306 -3.392 1.00 0.00 WT1 O ATOM 4157 H1 TIP3 352 -2.362 -4.459 -25.700 1.00 0.00 WT1 H ATOM 4158 H2 TIP3 352 -3.323 -5.917 -26.125 1.00 0.00 WT1 H ATOM 4159 OH2 TIP3 353 1.293 2.823 0.272 1.00 0.00 WT1 O ATOM 4160 H1 TIP3 353 -19.665 -16.745 3.160 1.00 0.00 WT1 H ATOM 4161 H2 TIP3 353 19.649 -10.001 -17.113 1.00 0.00 WT1 H ATOM 4162 OH2 TIP3 355 -1.942 6.744 4.159 1.00 0.00 WT1 O ATOM 4163 H1 TIP3 355 4.730 0.628 -19.521 1.00 0.00 WT1 H ATOM 4164 H2 TIP3 355 -1.228 24.229 12.574 1.00 0.00 WT1 H ATOM 4165 OH2 TIP3 356 -1.821 6.547 2.454 1.00 0.00 WT1 O ATOM 4166 H1 TIP3 356 -16.846 1.343 1.652 1.00 0.00 WT1 H ATOM 4167 H2 TIP3 356 -0.018 1.037 18.032 1.00 0.00 WT1 H ATOM 4168 OH2 TIP3 357 2.161 2.345 -2.143 1.00 0.00 WT1 O ATOM 4169 H1 TIP3 357 10.147 2.837 3.665 1.00 0.00 WT1 H ATOM 4170 H2 TIP3 357 10.173 -0.666 5.126 1.00 0.00 WT1 H ATOM 4171 OH2 TIP3 358 3.882 3.140 9.096 1.00 0.00 WT1 O ATOM 4172 H1 TIP3 358 -2.504 3.080 8.236 1.00 0.00 WT1 H ATOM 4173 H2 TIP3 358 6.173 2.354 3.242 1.00 0.00 WT1 H ATOM 4174 OH2 TIP3 359 -2.719 -0.405 -4.180 1.00 0.00 WT1 O ATOM 4175 H1 TIP3 359 2.405 -8.512 -3.381 1.00 0.00 WT1 H ATOM 4176 H2 TIP3 359 -10.966 8.519 3.692 1.00 0.00 WT1 H ATOM 4177 OH2 TIP3 360 2.154 2.564 -3.459 1.00 0.00 WT1 O ATOM 4178 H1 TIP3 360 -8.524 13.835 -6.282 1.00 0.00 WT1 H ATOM 4179 H2 TIP3 360 2.112 -3.731 -1.068 1.00 0.00 WT1 H ATOM 4180 OH2 TIP3 361 -6.623 -0.674 0.251 1.00 0.00 WT1 O ATOM 4181 H1 TIP3 361 -10.791 2.538 -3.319 1.00 0.00 WT1 H ATOM 4182 H2 TIP3 361 -3.641 4.933 1.981 1.00 0.00 WT1 H ATOM 4183 OH2 TIP3 362 1.207 3.692 -0.265 1.00 0.00 WT1 O ATOM 4184 H1 TIP3 362 -2.189 2.873 -14.961 1.00 0.00 WT1 H ATOM 4185 H2 TIP3 362 -2.387 26.865 0.989 1.00 0.00 WT1 H ATOM 4186 OH2 TIP3 363 -6.419 -0.684 5.634 1.00 0.00 WT1 O ATOM 4187 H1 TIP3 363 -13.652 5.752 8.232 1.00 0.00 WT1 H ATOM 4188 H2 TIP3 363 -3.657 -10.009 -4.339 1.00 0.00 WT1 H ATOM 4189 OH2 TIP3 364 -2.421 -1.890 2.783 1.00 0.00 WT1 O ATOM 4190 H1 TIP3 364 -0.680 -1.621 4.855 1.00 0.00 WT1 H ATOM 4191 H2 TIP3 364 0.992 2.596 -5.999 1.00 0.00 WT1 H ATOM 4192 OH2 TIP3 365 -2.145 -7.868 -3.879 1.00 0.00 WT1 O ATOM 4193 H1 TIP3 365 -12.600 -4.151 9.183 1.00 0.00 WT1 H ATOM 4194 H2 TIP3 365 10.907 -1.924 -9.792 1.00 0.00 WT1 H ATOM 4195 OH2 TIP3 366 -2.133 -4.692 -4.522 1.00 0.00 WT1 O ATOM 4196 H1 TIP3 366 9.839 6.467 -8.549 1.00 0.00 WT1 H ATOM 4197 H2 TIP3 366 -11.626 -23.465 -17.757 1.00 0.00 WT1 H ATOM 4198 OH2 TIP3 367 -1.617 5.989 -3.076 1.00 0.00 WT1 O ATOM 4199 H1 TIP3 367 -6.606 3.624 10.232 1.00 0.00 WT1 H ATOM 4200 H2 TIP3 367 -10.074 -2.323 -4.751 1.00 0.00 WT1 H ATOM 4201 OH2 TIP3 368 4.199 -2.810 -2.484 1.00 0.00 WT1 O ATOM 4202 H1 TIP3 368 -2.760 -4.707 -2.896 1.00 0.00 WT1 H ATOM 4203 H2 TIP3 368 14.649 -8.235 1.482 1.00 0.00 WT1 H ATOM 4204 OH2 TIP3 369 -1.961 -3.670 -1.470 1.00 0.00 WT1 O ATOM 4205 H1 TIP3 369 -15.646 -3.412 -17.206 1.00 0.00 WT1 H ATOM 4206 H2 TIP3 369 6.759 -27.268 8.319 1.00 0.00 WT1 H ATOM 4207 OH2 TIP3 370 -6.083 3.546 -3.572 1.00 0.00 WT1 O ATOM 4208 H1 TIP3 370 7.209 -0.603 11.657 1.00 0.00 WT1 H ATOM 4209 H2 TIP3 370 -15.843 -1.445 -1.770 1.00 0.00 WT1 H ATOM 4210 OH2 TIP3 371 -6.153 3.111 0.272 1.00 0.00 WT1 O ATOM 4211 H1 TIP3 371 1.568 -14.437 0.950 1.00 0.00 WT1 H ATOM 4212 H2 TIP3 371 8.659 -1.730 7.263 1.00 0.00 WT1 H ATOM 4213 OH2 TIP3 372 3.381 5.135 -1.581 1.00 0.00 WT1 O ATOM 4214 H1 TIP3 372 -0.626 1.811 1.625 1.00 0.00 WT1 H ATOM 4215 H2 TIP3 372 5.458 8.821 -1.065 1.00 0.00 WT1 H ATOM 4216 OH2 TIP3 373 -2.156 -2.348 1.279 1.00 0.00 WT1 O ATOM 4217 H1 TIP3 373 1.108 -6.009 -17.830 1.00 0.00 WT1 H ATOM 4218 H2 TIP3 373 0.359 -28.870 -11.706 1.00 0.00 WT1 H ATOM 4219 OH2 TIP3 374 -0.576 2.110 0.029 1.00 0.00 WT1 O ATOM 4220 H1 TIP3 374 -1.055 14.480 16.420 1.00 0.00 WT1 H ATOM 4221 H2 TIP3 374 10.023 -22.458 0.800 1.00 0.00 WT1 H ATOM 4222 OH2 TIP3 375 -0.310 0.399 7.708 1.00 0.00 WT1 O ATOM 4223 H1 TIP3 375 -0.664 1.203 5.180 1.00 0.00 WT1 H ATOM 4224 H2 TIP3 375 -5.392 7.547 -14.602 1.00 0.00 WT1 H ATOM 4225 OH2 TIP3 376 -1.704 1.220 -2.425 1.00 0.00 WT1 O ATOM 4226 H1 TIP3 376 6.954 -7.302 7.136 1.00 0.00 WT1 H ATOM 4227 H2 TIP3 376 -15.229 1.269 4.774 1.00 0.00 WT1 H ATOM 4228 OH2 TIP3 377 3.250 5.108 4.865 1.00 0.00 WT1 O ATOM 4229 H1 TIP3 377 20.165 -21.652 1.369 1.00 0.00 WT1 H ATOM 4230 H2 TIP3 377 7.489 13.302 -3.304 1.00 0.00 WT1 H ATOM 4231 OH2 TIP3 378 -2.121 -1.496 -0.373 1.00 0.00 WT1 O ATOM 4232 H1 TIP3 378 37.680 1.891 -24.578 1.00 0.00 WT1 H ATOM 4233 H2 TIP3 378 29.730 -8.884 -9.894 1.00 0.00 WT1 H ATOM 4234 OH2 TIP3 379 4.600 -2.657 -1.686 1.00 0.00 WT1 O ATOM 4235 H1 TIP3 379 2.323 -1.195 2.711 1.00 0.00 WT1 H ATOM 4236 H2 TIP3 379 4.869 -2.564 -5.810 1.00 0.00 WT1 H ATOM 4237 OH2 TIP3 380 2.626 6.404 -8.997 1.00 0.00 WT1 O ATOM 4238 H1 TIP3 380 10.203 18.599 -8.574 1.00 0.00 WT1 H ATOM 4239 H2 TIP3 380 -4.785 7.782 -19.064 1.00 0.00 WT1 H ATOM 4240 OH2 TIP3 381 3.470 -1.939 1.836 1.00 0.00 WT1 O ATOM 4241 H1 TIP3 381 5.431 -6.289 -4.548 1.00 0.00 WT1 H ATOM 4242 H2 TIP3 381 -22.992 12.256 28.730 1.00 0.00 WT1 H ATOM 4243 OH2 TIP3 382 -2.534 -0.132 -3.005 1.00 0.00 WT1 O ATOM 4244 H1 TIP3 382 -4.539 12.389 -8.591 1.00 0.00 WT1 H ATOM 4245 H2 TIP3 382 -51.225 8.240 -11.093 1.00 0.00 WT1 H ATOM 4246 OH2 TIP3 383 1.823 0.672 -10.225 1.00 0.00 WT1 O ATOM 4247 H1 TIP3 383 6.383 -6.740 2.873 1.00 0.00 WT1 H ATOM 4248 H2 TIP3 383 -14.679 4.345 -1.221 1.00 0.00 WT1 H ATOM 4249 OH2 TIP3 384 9.645 1.096 -3.236 1.00 0.00 WT1 O ATOM 4250 H1 TIP3 384 -3.448 -10.563 -5.079 1.00 0.00 WT1 H ATOM 4251 H2 TIP3 384 -3.739 -17.047 -5.842 1.00 0.00 WT1 H ATOM 4252 OH2 TIP3 385 5.281 -4.424 -4.945 1.00 0.00 WT1 O ATOM 4253 H1 TIP3 385 4.190 -8.485 -4.424 1.00 0.00 WT1 H ATOM 4254 H2 TIP3 385 6.731 2.710 -3.425 1.00 0.00 WT1 H ATOM 4255 OH2 TIP3 386 0.656 -3.298 5.080 1.00 0.00 WT1 O ATOM 4256 H1 TIP3 386 4.738 -2.457 11.301 1.00 0.00 WT1 H ATOM 4257 H2 TIP3 386 -7.509 -7.053 2.781 1.00 0.00 WT1 H ATOM 4258 OH2 TIP3 387 2.399 6.079 -7.911 1.00 0.00 WT1 O ATOM 4259 H1 TIP3 387 2.550 11.919 -7.217 1.00 0.00 WT1 H ATOM 4260 H2 TIP3 387 19.830 -32.900 3.616 1.00 0.00 WT1 H ATOM 4261 OH2 TIP3 388 3.798 3.144 3.585 1.00 0.00 WT1 O ATOM 4262 H1 TIP3 388 17.518 -13.811 8.603 1.00 0.00 WT1 H ATOM 4263 H2 TIP3 388 -3.200 -6.160 -11.601 1.00 0.00 WT1 H ATOM 4264 OH2 TIP3 389 -4.332 -0.230 5.576 1.00 0.00 WT1 O ATOM 4265 H1 TIP3 389 14.380 1.234 -6.089 1.00 0.00 WT1 H ATOM 4266 H2 TIP3 389 9.305 21.816 10.227 1.00 0.00 WT1 H ATOM 4267 OH2 TIP3 390 4.206 -3.846 3.408 1.00 0.00 WT1 O ATOM 4268 H1 TIP3 390 24.855 7.840 -13.196 1.00 0.00 WT1 H ATOM 4269 H2 TIP3 390 17.263 -1.659 -3.207 1.00 0.00 WT1 H ATOM 4270 OH2 TIP3 391 -0.080 -2.275 5.904 1.00 0.00 WT1 O ATOM 4271 H1 TIP3 391 6.084 8.826 4.837 1.00 0.00 WT1 H ATOM 4272 H2 TIP3 391 -0.556 11.179 12.258 1.00 0.00 WT1 H ATOM 4273 OH2 TIP3 392 5.826 0.998 4.406 1.00 0.00 WT1 O ATOM 4274 H1 TIP3 392 -16.222 9.898 -38.904 1.00 0.00 WT1 H ATOM 4275 H2 TIP3 392 15.271 0.439 22.534 1.00 0.00 WT1 H ATOM 4276 OH2 TIP3 393 0.596 0.904 -3.572 1.00 0.00 WT1 O ATOM 4277 H1 TIP3 393 -12.811 -21.084 -9.343 1.00 0.00 WT1 H ATOM 4278 H2 TIP3 393 -12.160 -7.014 -2.874 1.00 0.00 WT1 H ATOM 4279 OH2 TIP3 394 3.910 -0.805 3.676 1.00 0.00 WT1 O ATOM 4280 H1 TIP3 394 -18.352 0.310 -1.169 1.00 0.00 WT1 H ATOM 4281 H2 TIP3 394 5.827 -15.341 -4.112 1.00 0.00 WT1 H ATOM 4282 OH2 TIP3 395 1.961 2.455 0.240 1.00 0.00 WT1 O ATOM 4283 H1 TIP3 395 3.158 13.792 0.622 1.00 0.00 WT1 H ATOM 4284 H2 TIP3 395 -0.880 -0.684 -10.115 1.00 0.00 WT1 H ATOM 4285 OH2 TIP3 396 3.728 1.331 0.126 1.00 0.00 WT1 O ATOM 4286 H1 TIP3 396 -4.689 4.250 -3.029 1.00 0.00 WT1 H ATOM 4287 H2 TIP3 396 9.749 -2.982 0.719 1.00 0.00 WT1 H ATOM 4288 OH2 TIP3 397 3.534 4.425 -10.983 1.00 0.00 WT1 O ATOM 4289 H1 TIP3 397 11.672 -10.987 15.728 1.00 0.00 WT1 H ATOM 4290 H2 TIP3 397 4.938 0.410 -1.325 1.00 0.00 WT1 H ATOM 4291 OH2 TIP3 399 0.004 2.503 4.644 1.00 0.00 WT1 O ATOM 4292 H1 TIP3 399 -2.358 -0.277 1.507 1.00 0.00 WT1 H ATOM 4293 H2 TIP3 399 -16.742 22.834 11.519 1.00 0.00 WT1 H ATOM 4294 OH2 TIP3 400 -0.919 -1.296 -4.383 1.00 0.00 WT1 O ATOM 4295 H1 TIP3 400 -1.264 14.280 -5.319 1.00 0.00 WT1 H ATOM 4296 H2 TIP3 400 7.076 25.036 2.149 1.00 0.00 WT1 H ATOM 4297 OH2 TIP3 401 4.647 -0.252 0.308 1.00 0.00 WT1 O ATOM 4298 H1 TIP3 401 16.989 -4.561 3.604 1.00 0.00 WT1 H ATOM 4299 H2 TIP3 401 -1.693 0.459 -2.130 1.00 0.00 WT1 H ATOM 4300 OH2 TIP3 402 -3.227 -2.398 1.467 1.00 0.00 WT1 O ATOM 4301 H1 TIP3 402 -13.673 4.565 7.419 1.00 0.00 WT1 H ATOM 4302 H2 TIP3 402 -8.721 -6.965 3.187 1.00 0.00 WT1 H ATOM 4303 OH2 TIP3 403 1.834 -5.731 2.899 1.00 0.00 WT1 O ATOM 4304 H1 TIP3 403 11.647 7.806 5.223 1.00 0.00 WT1 H ATOM 4305 H2 TIP3 403 0.798 -2.501 2.361 1.00 0.00 WT1 H ATOM 4306 OH2 TIP3 404 -7.486 1.428 -3.171 1.00 0.00 WT1 O ATOM 4307 H1 TIP3 404 2.574 -6.141 3.265 1.00 0.00 WT1 H ATOM 4308 H2 TIP3 404 -23.251 -14.897 -2.068 1.00 0.00 WT1 H ATOM 4309 OH2 TIP3 405 2.531 -5.956 -5.710 1.00 0.00 WT1 O ATOM 4310 H1 TIP3 405 6.481 -11.524 -9.236 1.00 0.00 WT1 H ATOM 4311 H2 TIP3 405 -4.201 -9.309 8.830 1.00 0.00 WT1 H ATOM 4312 OH2 TIP3 406 -4.924 -4.978 1.747 1.00 0.00 WT1 O ATOM 4313 H1 TIP3 406 -15.629 -14.173 7.356 1.00 0.00 WT1 H ATOM 4314 H2 TIP3 406 -4.914 8.161 10.233 1.00 0.00 WT1 H ATOM 4315 OH2 TIP3 407 -1.231 0.955 -2.376 1.00 0.00 WT1 O ATOM 4316 H1 TIP3 407 -2.690 18.333 -0.821 1.00 0.00 WT1 H ATOM 4317 H2 TIP3 407 -2.378 -5.409 13.839 1.00 0.00 WT1 H ATOM 4318 OH2 TIP3 408 3.201 2.786 -5.963 1.00 0.00 WT1 O ATOM 4319 H1 TIP3 408 -0.653 11.500 -10.477 1.00 0.00 WT1 H ATOM 4320 H2 TIP3 408 15.245 -4.583 18.557 1.00 0.00 WT1 H ATOM 4321 OH2 TIP3 409 6.528 3.365 4.416 1.00 0.00 WT1 O ATOM 4322 H1 TIP3 409 4.031 5.318 7.814 1.00 0.00 WT1 H ATOM 4323 H2 TIP3 409 -29.569 -7.296 -7.290 1.00 0.00 WT1 H ATOM 4324 OH2 TIP3 411 -6.266 -0.565 0.952 1.00 0.00 WT1 O ATOM 4325 H1 TIP3 411 -9.657 6.843 -24.905 1.00 0.00 WT1 H ATOM 4326 H2 TIP3 411 2.561 -18.812 -11.815 1.00 0.00 WT1 H ATOM 4327 OH2 TIP3 412 -2.809 2.786 2.303 1.00 0.00 WT1 O ATOM 4328 H1 TIP3 412 -13.633 11.137 4.741 1.00 0.00 WT1 H ATOM 4329 H2 TIP3 412 0.991 0.978 14.929 1.00 0.00 WT1 H ATOM 4330 OH2 TIP3 413 -0.748 -1.962 -2.942 1.00 0.00 WT1 O ATOM 4331 H1 TIP3 413 5.156 -20.785 18.132 1.00 0.00 WT1 H ATOM 4332 H2 TIP3 413 4.078 -5.450 7.319 1.00 0.00 WT1 H ATOM 4333 OH2 TIP3 414 4.058 -3.830 -10.101 1.00 0.00 WT1 O ATOM 4334 H1 TIP3 414 5.922 25.220 14.031 1.00 0.00 WT1 H ATOM 4335 H2 TIP3 414 5.995 -11.114 -7.354 1.00 0.00 WT1 H ATOM 4336 OH2 TIP3 415 -4.737 5.056 -1.661 1.00 0.00 WT1 O ATOM 4337 H1 TIP3 415 7.027 1.119 2.396 1.00 0.00 WT1 H ATOM 4338 H2 TIP3 415 1.651 21.495 2.156 1.00 0.00 WT1 H ATOM 4339 OH2 TIP3 417 3.768 -1.571 -0.252 1.00 0.00 WT1 O ATOM 4340 H1 TIP3 417 13.198 8.570 15.954 1.00 0.00 WT1 H ATOM 4341 H2 TIP3 417 -13.776 -6.753 28.876 1.00 0.00 WT1 H ATOM 4342 OH2 TIP3 418 -5.014 0.456 8.475 1.00 0.00 WT1 O ATOM 4343 H1 TIP3 418 -2.853 8.453 8.626 1.00 0.00 WT1 H ATOM 4344 H2 TIP3 418 -12.313 1.063 6.914 1.00 0.00 WT1 H ATOM 4345 OH2 TIP3 419 -2.450 -0.075 -1.905 1.00 0.00 WT1 O ATOM 4346 H1 TIP3 419 -0.837 14.932 -8.500 1.00 0.00 WT1 H ATOM 4347 H2 TIP3 419 15.021 -6.786 0.053 1.00 0.00 WT1 H ATOM 4348 OH2 TIP3 420 1.900 0.863 1.028 1.00 0.00 WT1 O ATOM 4349 H1 TIP3 420 28.256 -7.914 18.184 1.00 0.00 WT1 H ATOM 4350 H2 TIP3 420 31.169 -7.667 -3.049 1.00 0.00 WT1 H ATOM 4351 OH2 TIP3 421 -8.511 0.818 3.913 1.00 0.00 WT1 O ATOM 4352 H1 TIP3 421 1.873 4.636 9.009 1.00 0.00 WT1 H ATOM 4353 H2 TIP3 421 -4.486 -7.582 13.826 1.00 0.00 WT1 H ATOM 4354 OH2 TIP3 422 -2.572 -0.240 2.397 1.00 0.00 WT1 O ATOM 4355 H1 TIP3 422 -6.887 17.492 8.258 1.00 0.00 WT1 H ATOM 4356 H2 TIP3 422 -4.388 -6.735 -10.422 1.00 0.00 WT1 H ATOM 4357 OH2 TIP3 423 4.527 -5.453 3.623 1.00 0.00 WT1 O ATOM 4358 H1 TIP3 423 9.330 3.551 10.089 1.00 0.00 WT1 H ATOM 4359 H2 TIP3 423 19.210 -0.399 11.343 1.00 0.00 WT1 H ATOM 4360 OH2 TIP3 424 1.968 -3.255 -3.427 1.00 0.00 WT1 O ATOM 4361 H1 TIP3 424 -1.075 -6.131 16.392 1.00 0.00 WT1 H ATOM 4362 H2 TIP3 424 4.648 25.593 -1.928 1.00 0.00 WT1 H ATOM 4363 OH2 TIP3 425 -4.325 -0.621 -2.768 1.00 0.00 WT1 O ATOM 4364 H1 TIP3 425 -6.527 -17.564 13.757 1.00 0.00 WT1 H ATOM 4365 H2 TIP3 425 13.978 6.332 23.252 1.00 0.00 WT1 H ATOM 4366 OH2 TIP3 426 1.994 0.601 -2.804 1.00 0.00 WT1 O ATOM 4367 H1 TIP3 426 -11.643 21.239 -8.248 1.00 0.00 WT1 H ATOM 4368 H2 TIP3 426 -0.481 9.548 10.964 1.00 0.00 WT1 H ATOM 4369 OH2 TIP3 427 0.731 1.225 -1.999 1.00 0.00 WT1 O ATOM 4370 H1 TIP3 427 -0.124 8.118 5.614 1.00 0.00 WT1 H ATOM 4371 H2 TIP3 427 -5.935 19.808 25.415 1.00 0.00 WT1 H ATOM 4372 OH2 TIP3 428 0.938 -1.873 -4.777 1.00 0.00 WT1 O ATOM 4373 H1 TIP3 428 7.492 -8.304 -13.056 1.00 0.00 WT1 H ATOM 4374 H2 TIP3 428 25.673 18.652 -14.579 1.00 0.00 WT1 H ATOM 4375 OH2 TIP3 429 0.917 2.962 -4.548 1.00 0.00 WT1 O ATOM 4376 H1 TIP3 429 -5.173 5.346 10.203 1.00 0.00 WT1 H ATOM 4377 H2 TIP3 429 -8.219 -9.732 -2.983 1.00 0.00 WT1 H ATOM 4378 OH2 TIP3 430 2.375 -1.595 2.896 1.00 0.00 WT1 O ATOM 4379 H1 TIP3 430 13.415 14.751 11.455 1.00 0.00 WT1 H ATOM 4380 H2 TIP3 430 -8.957 -17.307 -6.309 1.00 0.00 WT1 H ATOM 4381 OH2 TIP3 431 3.550 6.207 -0.333 1.00 0.00 WT1 O ATOM 4382 H1 TIP3 431 -14.572 3.599 2.287 1.00 0.00 WT1 H ATOM 4383 H2 TIP3 431 12.464 10.766 0.812 1.00 0.00 WT1 H ATOM 4384 OH2 TIP3 432 -4.619 0.471 -0.605 1.00 0.00 WT1 O ATOM 4385 H1 TIP3 432 0.562 -13.445 -0.254 1.00 0.00 WT1 H ATOM 4386 H2 TIP3 432 -5.147 9.585 -7.517 1.00 0.00 WT1 H ATOM 4387 OH2 TIP3 433 0.815 8.544 4.872 1.00 0.00 WT1 O ATOM 4388 H1 TIP3 433 13.651 13.600 12.276 1.00 0.00 WT1 H ATOM 4389 H2 TIP3 433 3.757 18.737 4.224 1.00 0.00 WT1 H ATOM 4390 OH2 TIP3 434 2.819 4.157 -5.915 1.00 0.00 WT1 O ATOM 4391 H1 TIP3 434 3.983 4.880 -8.254 1.00 0.00 WT1 H ATOM 4392 H2 TIP3 434 -3.179 -1.814 -2.835 1.00 0.00 WT1 H ATOM 4393 OH2 TIP3 435 3.317 0.272 -1.114 1.00 0.00 WT1 O ATOM 4394 H1 TIP3 435 6.559 6.593 8.630 1.00 0.00 WT1 H ATOM 4395 H2 TIP3 435 11.949 -12.328 -47.322 1.00 0.00 WT1 H ATOM 4396 OH2 TIP3 436 3.266 0.434 3.890 1.00 0.00 WT1 O ATOM 4397 H1 TIP3 436 -0.906 -10.315 18.721 1.00 0.00 WT1 H ATOM 4398 H2 TIP3 436 4.350 -11.142 -10.930 1.00 0.00 WT1 H ATOM 4399 OH2 TIP3 437 -2.773 2.904 3.490 1.00 0.00 WT1 O ATOM 4400 H1 TIP3 437 -2.576 -7.232 4.233 1.00 0.00 WT1 H ATOM 4401 H2 TIP3 437 -3.840 29.220 -0.801 1.00 0.00 WT1 H ATOM 4402 OH2 TIP3 438 -0.257 2.770 -3.469 1.00 0.00 WT1 O ATOM 4403 H1 TIP3 438 11.083 4.061 8.551 1.00 0.00 WT1 H ATOM 4404 H2 TIP3 438 -5.342 12.727 -11.964 1.00 0.00 WT1 H ATOM 4405 OH2 TIP3 439 -5.452 2.765 -3.341 1.00 0.00 WT1 O ATOM 4406 H1 TIP3 439 5.042 -4.712 16.653 1.00 0.00 WT1 H ATOM 4407 H2 TIP3 439 -5.192 1.881 6.209 1.00 0.00 WT1 H ATOM 4408 OH2 TIP3 440 6.095 6.331 0.690 1.00 0.00 WT1 O ATOM 4409 H1 TIP3 440 -10.920 5.518 -1.746 1.00 0.00 WT1 H ATOM 4410 H2 TIP3 440 24.035 -4.658 8.778 1.00 0.00 WT1 H ATOM 4411 OH2 TIP3 441 -0.746 2.822 -2.994 1.00 0.00 WT1 O ATOM 4412 H1 TIP3 441 -11.065 14.476 -4.590 1.00 0.00 WT1 H ATOM 4413 H2 TIP3 441 6.134 2.790 -13.021 1.00 0.00 WT1 H ATOM 4414 OH2 TIP3 442 -1.110 -0.469 -6.128 1.00 0.00 WT1 O ATOM 4415 H1 TIP3 442 28.309 -37.005 7.429 1.00 0.00 WT1 H ATOM 4416 H2 TIP3 442 -20.885 0.725 -9.491 1.00 0.00 WT1 H ATOM 4417 OH2 TIP3 443 -0.196 8.078 -2.342 1.00 0.00 WT1 O ATOM 4418 H1 TIP3 443 -6.307 6.453 8.153 1.00 0.00 WT1 H ATOM 4419 H2 TIP3 443 17.392 18.824 -9.930 1.00 0.00 WT1 H ATOM 4420 OH2 TIP3 444 -0.299 1.884 -9.007 1.00 0.00 WT1 O ATOM 4421 H1 TIP3 444 15.852 -1.503 -18.727 1.00 0.00 WT1 H ATOM 4422 H2 TIP3 444 -4.731 15.431 6.154 1.00 0.00 WT1 H ATOM 4423 OH2 TIP3 446 0.804 -0.732 2.409 1.00 0.00 WT1 O ATOM 4424 H1 TIP3 446 6.730 10.684 7.908 1.00 0.00 WT1 H ATOM 4425 H2 TIP3 446 -5.436 11.756 0.669 1.00 0.00 WT1 H ATOM 4426 OH2 TIP3 447 1.447 -10.220 1.627 1.00 0.00 WT1 O ATOM 4427 H1 TIP3 447 -15.091 9.357 -24.088 1.00 0.00 WT1 H ATOM 4428 H2 TIP3 447 17.482 -8.401 20.016 1.00 0.00 WT1 H ATOM 4429 OH2 TIP3 448 2.889 2.237 4.013 1.00 0.00 WT1 O ATOM 4430 H1 TIP3 448 -12.688 0.372 7.395 1.00 0.00 WT1 H ATOM 4431 H2 TIP3 448 6.644 21.050 11.249 1.00 0.00 WT1 H ATOM 4432 OH2 TIP3 450 2.949 0.643 -0.122 1.00 0.00 WT1 O ATOM 4433 H1 TIP3 450 0.339 -7.364 0.406 1.00 0.00 WT1 H ATOM 4434 H2 TIP3 450 0.243 -12.088 -9.929 1.00 0.00 WT1 H ATOM 4435 OH2 TIP3 451 1.108 -3.930 1.572 1.00 0.00 WT1 O ATOM 4436 H1 TIP3 451 -23.735 -10.204 -16.657 1.00 0.00 WT1 H ATOM 4437 H2 TIP3 451 -2.287 -3.090 -1.371 1.00 0.00 WT1 H ATOM 4438 OH2 TIP3 452 -0.084 4.115 4.153 1.00 0.00 WT1 O ATOM 4439 H1 TIP3 452 -12.516 -0.517 -9.934 1.00 0.00 WT1 H ATOM 4440 H2 TIP3 452 -1.275 -1.791 10.877 1.00 0.00 WT1 H ATOM 4441 OH2 TIP3 453 4.714 -2.476 7.342 1.00 0.00 WT1 O ATOM 4442 H1 TIP3 453 30.220 -14.212 8.132 1.00 0.00 WT1 H ATOM 4443 H2 TIP3 453 1.721 -1.591 9.529 1.00 0.00 WT1 H ATOM 4444 OH2 TIP3 454 -0.271 5.220 -7.107 1.00 0.00 WT1 O ATOM 4445 H1 TIP3 454 -0.099 11.025 -3.707 1.00 0.00 WT1 H ATOM 4446 H2 TIP3 454 5.472 8.548 -14.429 1.00 0.00 WT1 H ATOM 4447 OH2 TIP3 455 1.409 -1.584 -2.915 1.00 0.00 WT1 O ATOM 4448 H1 TIP3 455 -3.666 1.436 -15.511 1.00 0.00 WT1 H ATOM 4449 H2 TIP3 455 -8.386 -6.530 6.307 1.00 0.00 WT1 H ATOM 4450 OH2 TIP3 456 -3.516 -1.890 7.206 1.00 0.00 WT1 O ATOM 4451 H1 TIP3 456 17.963 13.062 -38.332 1.00 0.00 WT1 H ATOM 4452 H2 TIP3 456 5.333 3.664 3.168 1.00 0.00 WT1 H ATOM 4453 OH2 TIP3 457 -3.597 -3.822 8.501 1.00 0.00 WT1 O ATOM 4454 H1 TIP3 457 0.690 -4.826 16.916 1.00 0.00 WT1 H ATOM 4455 H2 TIP3 457 0.223 3.616 23.123 1.00 0.00 WT1 H ATOM 4456 OH2 TIP3 458 -0.047 -1.021 -0.533 1.00 0.00 WT1 O ATOM 4457 H1 TIP3 458 -3.984 -0.818 13.637 1.00 0.00 WT1 H ATOM 4458 H2 TIP3 458 12.310 13.697 -3.963 1.00 0.00 WT1 H ATOM 4459 OH2 TIP3 459 -3.512 -2.082 -2.995 1.00 0.00 WT1 O ATOM 4460 H1 TIP3 459 -12.410 6.823 1.064 1.00 0.00 WT1 H ATOM 4461 H2 TIP3 459 6.639 -30.495 -18.294 1.00 0.00 WT1 H ATOM 4462 OH2 TIP3 460 -2.754 0.684 1.126 1.00 0.00 WT1 O ATOM 4463 H1 TIP3 460 9.334 -16.450 -14.804 1.00 0.00 WT1 H ATOM 4464 H2 TIP3 460 -18.116 -0.813 8.588 1.00 0.00 WT1 H ATOM 4465 OH2 TIP3 461 -0.573 -2.720 -6.734 1.00 0.00 WT1 O ATOM 4466 H1 TIP3 461 4.686 -0.222 -35.785 1.00 0.00 WT1 H ATOM 4467 H2 TIP3 461 11.174 -25.785 3.531 1.00 0.00 WT1 H ATOM 4468 OH2 TIP3 462 -3.464 -3.595 1.022 1.00 0.00 WT1 O ATOM 4469 H1 TIP3 462 -8.957 11.538 5.985 1.00 0.00 WT1 H ATOM 4470 H2 TIP3 462 4.791 -21.559 -22.437 1.00 0.00 WT1 H ATOM 4471 OH2 TIP3 463 1.455 4.122 -2.747 1.00 0.00 WT1 O ATOM 4472 H1 TIP3 463 1.346 9.010 -13.165 1.00 0.00 WT1 H ATOM 4473 H2 TIP3 463 -20.854 9.144 -33.086 1.00 0.00 WT1 H ATOM 4474 OH2 TIP3 465 4.240 -1.996 4.840 1.00 0.00 WT1 O ATOM 4475 H1 TIP3 465 40.190 22.573 -1.899 1.00 0.00 WT1 H ATOM 4476 H2 TIP3 465 6.332 -6.720 4.783 1.00 0.00 WT1 H ATOM 4477 OH2 TIP3 466 -6.779 5.553 5.124 1.00 0.00 WT1 O ATOM 4478 H1 TIP3 466 -10.210 -7.762 -11.387 1.00 0.00 WT1 H ATOM 4479 H2 TIP3 466 -3.548 -8.317 24.817 1.00 0.00 WT1 H ATOM 4480 OH2 TIP3 467 1.461 -0.853 -2.393 1.00 0.00 WT1 O ATOM 4481 H1 TIP3 467 4.111 9.416 -0.613 1.00 0.00 WT1 H ATOM 4482 H2 TIP3 467 -16.900 -15.708 9.823 1.00 0.00 WT1 H ATOM 4483 OH2 TIP3 468 -3.136 3.110 -1.985 1.00 0.00 WT1 O ATOM 4484 H1 TIP3 468 3.319 -4.748 3.366 1.00 0.00 WT1 H ATOM 4485 H2 TIP3 468 -7.715 -0.567 -19.877 1.00 0.00 WT1 H ATOM 4486 OH2 TIP3 469 0.987 -3.701 -5.781 1.00 0.00 WT1 O ATOM 4487 H1 TIP3 469 0.043 5.937 -16.386 1.00 0.00 WT1 H ATOM 4488 H2 TIP3 469 -2.416 11.035 -14.062 1.00 0.00 WT1 H ATOM 4489 OH2 TIP3 470 2.266 -0.577 -6.307 1.00 0.00 WT1 O ATOM 4490 H1 TIP3 470 11.228 18.328 -9.376 1.00 0.00 WT1 H ATOM 4491 H2 TIP3 470 13.142 -5.059 5.485 1.00 0.00 WT1 H ATOM 4492 OH2 TIP3 471 6.346 -0.638 -6.821 1.00 0.00 WT1 O ATOM 4493 H1 TIP3 471 4.843 13.874 6.023 1.00 0.00 WT1 H ATOM 4494 H2 TIP3 471 -7.605 -1.142 -21.090 1.00 0.00 WT1 H ATOM 4495 OH2 TIP3 472 1.042 6.824 -6.280 1.00 0.00 WT1 O ATOM 4496 H1 TIP3 472 -1.803 -1.519 -3.245 1.00 0.00 WT1 H ATOM 4497 H2 TIP3 472 -7.402 12.792 -6.673 1.00 0.00 WT1 H ATOM 4498 OH2 TIP3 473 0.457 1.326 2.903 1.00 0.00 WT1 O ATOM 4499 H1 TIP3 473 -4.646 -8.309 -2.671 1.00 0.00 WT1 H ATOM 4500 H2 TIP3 473 -12.237 -9.599 8.491 1.00 0.00 WT1 H ATOM 4501 OH2 TIP3 474 3.096 -1.172 -0.224 1.00 0.00 WT1 O ATOM 4502 H1 TIP3 474 2.464 -1.012 -4.669 1.00 0.00 WT1 H ATOM 4503 H2 TIP3 474 -0.557 4.588 -11.235 1.00 0.00 WT1 H ATOM 4504 OH2 TIP3 475 0.756 -2.914 -3.094 1.00 0.00 WT1 O ATOM 4505 H1 TIP3 475 -0.017 -1.251 -16.675 1.00 0.00 WT1 H ATOM 4506 H2 TIP3 475 -8.922 -13.047 6.919 1.00 0.00 WT1 H ATOM 4507 OH2 TIP3 476 3.875 2.992 -0.937 1.00 0.00 WT1 O ATOM 4508 H1 TIP3 476 3.687 -6.343 -1.415 1.00 0.00 WT1 H ATOM 4509 H2 TIP3 476 5.629 12.755 2.088 1.00 0.00 WT1 H ATOM 4510 OH2 TIP3 477 7.382 4.235 -4.210 1.00 0.00 WT1 O ATOM 4511 H1 TIP3 477 13.243 -0.403 5.688 1.00 0.00 WT1 H ATOM 4512 H2 TIP3 477 -1.782 12.287 -20.053 1.00 0.00 WT1 H ATOM 4513 OH2 TIP3 478 0.689 -0.783 6.100 1.00 0.00 WT1 O ATOM 4514 H1 TIP3 478 -6.293 7.537 9.021 1.00 0.00 WT1 H ATOM 4515 H2 TIP3 478 0.471 -17.606 -9.968 1.00 0.00 WT1 H ATOM 4516 OH2 TIP3 479 -0.282 1.677 0.357 1.00 0.00 WT1 O ATOM 4517 H1 TIP3 479 -8.210 -5.915 -31.127 1.00 0.00 WT1 H ATOM 4518 H2 TIP3 479 7.033 6.108 2.085 1.00 0.00 WT1 H ATOM 4519 OH2 TIP3 480 -2.636 -4.586 4.073 1.00 0.00 WT1 O ATOM 4520 H1 TIP3 480 11.073 -24.907 -1.182 1.00 0.00 WT1 H ATOM 4521 H2 TIP3 480 -33.212 -9.281 14.821 1.00 0.00 WT1 H ATOM 4522 OH2 TIP3 481 0.713 1.148 5.218 1.00 0.00 WT1 O ATOM 4523 H1 TIP3 481 8.930 -3.431 6.299 1.00 0.00 WT1 H ATOM 4524 H2 TIP3 481 -7.138 -6.401 -6.210 1.00 0.00 WT1 H ATOM 4525 OH2 TIP3 482 2.473 -3.205 -7.319 1.00 0.00 WT1 O ATOM 4526 H1 TIP3 482 -3.273 -4.365 -5.590 1.00 0.00 WT1 H ATOM 4527 H2 TIP3 482 2.834 0.110 -2.711 1.00 0.00 WT1 H ATOM 4528 OH2 TIP3 483 -2.163 -1.999 -2.390 1.00 0.00 WT1 O ATOM 4529 H1 TIP3 483 2.568 -3.236 -4.922 1.00 0.00 WT1 H ATOM 4530 H2 TIP3 483 24.620 20.261 -9.149 1.00 0.00 WT1 H ATOM 4531 OH2 TIP3 484 -2.559 -4.834 -9.559 1.00 0.00 WT1 O ATOM 4532 H1 TIP3 484 -2.104 -18.982 -8.918 1.00 0.00 WT1 H ATOM 4533 H2 TIP3 484 0.179 -7.122 -11.838 1.00 0.00 WT1 H ATOM 4534 OH2 TIP3 485 -2.633 6.115 -3.628 1.00 0.00 WT1 O ATOM 4535 H1 TIP3 485 -1.717 1.719 -12.723 1.00 0.00 WT1 H ATOM 4536 H2 TIP3 485 1.894 16.214 12.101 1.00 0.00 WT1 H ATOM 4537 OH2 TIP3 486 2.941 6.621 -2.195 1.00 0.00 WT1 O ATOM 4538 H1 TIP3 486 31.447 4.373 -4.377 1.00 0.00 WT1 H ATOM 4539 H2 TIP3 486 2.225 16.561 8.117 1.00 0.00 WT1 H ATOM 4540 OH2 TIP3 487 0.645 4.301 5.940 1.00 0.00 WT1 O ATOM 4541 H1 TIP3 487 -0.827 -16.470 7.556 1.00 0.00 WT1 H ATOM 4542 H2 TIP3 487 24.352 8.310 6.676 1.00 0.00 WT1 H ATOM 4543 OH2 TIP3 488 7.380 -1.949 -0.598 1.00 0.00 WT1 O ATOM 4544 H1 TIP3 488 5.622 10.780 -14.073 1.00 0.00 WT1 H ATOM 4545 H2 TIP3 488 15.486 2.237 6.388 1.00 0.00 WT1 H ATOM 4546 OH2 TIP3 489 -4.822 3.636 -2.018 1.00 0.00 WT1 O ATOM 4547 H1 TIP3 489 7.652 -32.649 -3.069 1.00 0.00 WT1 H ATOM 4548 H2 TIP3 489 -10.766 -0.979 -1.512 1.00 0.00 WT1 H ATOM 4549 OH2 TIP3 490 0.217 1.252 -2.128 1.00 0.00 WT1 O ATOM 4550 H1 TIP3 490 8.364 1.583 -6.281 1.00 0.00 WT1 H ATOM 4551 H2 TIP3 490 -14.407 5.155 3.104 1.00 0.00 WT1 H ATOM 4552 OH2 TIP3 491 10.357 -0.790 3.166 1.00 0.00 WT1 O ATOM 4553 H1 TIP3 491 8.026 -3.577 -3.318 1.00 0.00 WT1 H ATOM 4554 H2 TIP3 491 15.750 -5.110 4.440 1.00 0.00 WT1 H ATOM 4555 OH2 TIP3 492 10.415 -0.680 -1.509 1.00 0.00 WT1 O ATOM 4556 H1 TIP3 492 -1.094 -30.975 0.423 1.00 0.00 WT1 H ATOM 4557 H2 TIP3 492 -0.199 -16.042 4.597 1.00 0.00 WT1 H ATOM 4558 OH2 TIP3 493 -0.698 -1.360 -0.609 1.00 0.00 WT1 O ATOM 4559 H1 TIP3 493 -5.388 8.433 -10.108 1.00 0.00 WT1 H ATOM 4560 H2 TIP3 493 7.768 -8.873 -22.451 1.00 0.00 WT1 H ATOM 4561 OH2 TIP3 494 2.252 2.549 -4.720 1.00 0.00 WT1 O ATOM 4562 H1 TIP3 494 1.296 4.758 3.674 1.00 0.00 WT1 H ATOM 4563 H2 TIP3 494 6.633 -2.452 -13.631 1.00 0.00 WT1 H ATOM 4564 OH2 TIP3 495 -1.024 8.434 -0.110 1.00 0.00 WT1 O ATOM 4565 H1 TIP3 495 -1.327 6.234 4.115 1.00 0.00 WT1 H ATOM 4566 H2 TIP3 495 -0.446 10.167 1.643 1.00 0.00 WT1 H ATOM 4567 OH2 TIP3 496 2.569 1.052 5.092 1.00 0.00 WT1 O ATOM 4568 H1 TIP3 496 -4.736 3.839 -15.729 1.00 0.00 WT1 H ATOM 4569 H2 TIP3 496 18.528 16.795 0.847 1.00 0.00 WT1 H ATOM 4570 OH2 TIP3 497 -0.011 4.143 -1.373 1.00 0.00 WT1 O ATOM 4571 H1 TIP3 497 -3.287 5.343 -0.933 1.00 0.00 WT1 H ATOM 4572 H2 TIP3 497 0.684 4.012 -0.505 1.00 0.00 WT1 H ATOM 4573 OH2 TIP3 498 -1.211 0.473 2.517 1.00 0.00 WT1 O ATOM 4574 H1 TIP3 498 6.677 -0.569 16.002 1.00 0.00 WT1 H ATOM 4575 H2 TIP3 498 -9.924 0.139 -14.918 1.00 0.00 WT1 H ATOM 4576 OH2 TIP3 499 -1.400 -2.522 0.629 1.00 0.00 WT1 O ATOM 4577 H1 TIP3 499 -8.678 -2.300 5.545 1.00 0.00 WT1 H ATOM 4578 H2 TIP3 499 -14.013 -0.180 7.650 1.00 0.00 WT1 H ATOM 4579 OH2 TIP3 500 1.944 -3.856 -0.778 1.00 0.00 WT1 O ATOM 4580 H1 TIP3 500 -12.519 -17.763 -5.422 1.00 0.00 WT1 H ATOM 4581 H2 TIP3 500 -8.020 14.878 -0.008 1.00 0.00 WT1 H ATOM 4582 OH2 TIP3 501 -3.709 0.301 1.902 1.00 0.00 WT1 O ATOM 4583 H1 TIP3 501 -12.253 5.219 -12.250 1.00 0.00 WT1 H ATOM 4584 H2 TIP3 501 8.119 15.305 -2.172 1.00 0.00 WT1 H ATOM 4585 OH2 TIP3 502 -2.487 -1.473 1.608 1.00 0.00 WT1 O ATOM 4586 H1 TIP3 502 -0.888 6.987 5.202 1.00 0.00 WT1 H ATOM 4587 H2 TIP3 502 -2.255 3.559 -3.279 1.00 0.00 WT1 H ATOM 4588 OH2 TIP3 503 2.252 0.420 1.148 1.00 0.00 WT1 O ATOM 4589 H1 TIP3 503 5.213 25.121 -6.304 1.00 0.00 WT1 H ATOM 4590 H2 TIP3 503 -0.968 30.122 -3.252 1.00 0.00 WT1 H ATOM 4591 OH2 TIP3 504 1.258 -2.770 -1.209 1.00 0.00 WT1 O ATOM 4592 H1 TIP3 504 -6.913 17.186 -8.179 1.00 0.00 WT1 H ATOM 4593 H2 TIP3 504 19.547 -10.286 -12.145 1.00 0.00 WT1 H ATOM 4594 OH2 TIP3 505 -5.545 -0.751 -4.491 1.00 0.00 WT1 O ATOM 4595 H1 TIP3 505 -20.468 -6.885 -2.540 1.00 0.00 WT1 H ATOM 4596 H2 TIP3 505 -5.717 15.196 7.953 1.00 0.00 WT1 H ATOM 4597 OH2 TIP3 506 4.150 -0.021 0.266 1.00 0.00 WT1 O ATOM 4598 H1 TIP3 506 12.343 -9.176 -3.532 1.00 0.00 WT1 H ATOM 4599 H2 TIP3 506 7.655 -17.016 -7.608 1.00 0.00 WT1 H ATOM 4600 OH2 TIP3 507 -6.515 -3.557 -5.350 1.00 0.00 WT1 O ATOM 4601 H1 TIP3 507 -0.374 -2.363 -10.438 1.00 0.00 WT1 H ATOM 4602 H2 TIP3 507 -10.544 -4.589 -0.990 1.00 0.00 WT1 H ATOM 4603 OH2 TIP3 508 -0.115 -2.091 10.722 1.00 0.00 WT1 O ATOM 4604 H1 TIP3 508 -0.939 0.940 8.838 1.00 0.00 WT1 H ATOM 4605 H2 TIP3 508 0.211 0.303 10.425 1.00 0.00 WT1 H ATOM 4606 OH2 TIP3 509 0.807 2.291 5.186 1.00 0.00 WT1 O ATOM 4607 H1 TIP3 509 25.249 -12.982 7.252 1.00 0.00 WT1 H ATOM 4608 H2 TIP3 509 14.582 16.866 2.809 1.00 0.00 WT1 H ATOM 4609 OH2 TIP3 510 -4.070 2.310 2.157 1.00 0.00 WT1 O ATOM 4610 H1 TIP3 510 -0.878 -0.315 -3.428 1.00 0.00 WT1 H ATOM 4611 H2 TIP3 510 -9.031 9.184 2.103 1.00 0.00 WT1 H ATOM 4612 OH2 TIP3 511 -2.299 1.712 2.264 1.00 0.00 WT1 O ATOM 4613 H1 TIP3 511 -0.643 6.281 -8.056 1.00 0.00 WT1 H ATOM 4614 H2 TIP3 511 1.737 -3.451 15.949 1.00 0.00 WT1 H ATOM 4615 OH2 TIP3 512 -2.226 -2.690 2.806 1.00 0.00 WT1 O ATOM 4616 H1 TIP3 512 2.864 1.431 1.423 1.00 0.00 WT1 H ATOM 4617 H2 TIP3 512 1.096 -13.950 0.386 1.00 0.00 WT1 H ATOM 4618 OH2 TIP3 513 1.997 -3.763 3.262 1.00 0.00 WT1 O ATOM 4619 H1 TIP3 513 -12.917 14.936 3.711 1.00 0.00 WT1 H ATOM 4620 H2 TIP3 513 -10.832 -1.042 14.161 1.00 0.00 WT1 H ATOM 4621 OH2 TIP3 514 0.495 3.283 4.398 1.00 0.00 WT1 O ATOM 4622 H1 TIP3 514 -4.583 -3.317 1.509 1.00 0.00 WT1 H ATOM 4623 H2 TIP3 514 41.417 33.932 17.818 1.00 0.00 WT1 H ATOM 4624 OH2 TIP3 515 -1.352 -0.334 -2.380 1.00 0.00 WT1 O ATOM 4625 H1 TIP3 515 8.136 10.939 -7.784 1.00 0.00 WT1 H ATOM 4626 H2 TIP3 515 -4.865 -11.852 -6.166 1.00 0.00 WT1 H ATOM 4627 OH2 TIP3 516 -2.931 2.743 1.552 1.00 0.00 WT1 O ATOM 4628 H1 TIP3 516 -0.118 1.756 0.852 1.00 0.00 WT1 H ATOM 4629 H2 TIP3 516 -1.109 -1.617 5.964 1.00 0.00 WT1 H ATOM 4630 OH2 TIP3 517 -6.180 -1.670 -2.340 1.00 0.00 WT1 O ATOM 4631 H1 TIP3 517 -10.314 -20.307 4.184 1.00 0.00 WT1 H ATOM 4632 H2 TIP3 517 5.614 -2.313 -2.740 1.00 0.00 WT1 H ATOM 4633 OH2 TIP3 518 5.758 2.577 5.212 1.00 0.00 WT1 O ATOM 4634 H1 TIP3 518 6.278 -0.583 1.780 1.00 0.00 WT1 H ATOM 4635 H2 TIP3 518 11.807 -1.112 6.755 1.00 0.00 WT1 H ATOM 4636 OH2 TIP3 519 -0.730 -3.410 0.133 1.00 0.00 WT1 O ATOM 4637 H1 TIP3 519 -18.183 22.728 2.345 1.00 0.00 WT1 H ATOM 4638 H2 TIP3 519 -11.190 9.164 4.107 1.00 0.00 WT1 H ATOM 4639 OH2 TIP3 521 0.599 1.391 0.773 1.00 0.00 WT1 O ATOM 4640 H1 TIP3 521 -1.520 1.794 11.976 1.00 0.00 WT1 H ATOM 4641 H2 TIP3 521 15.550 38.492 -19.533 1.00 0.00 WT1 H ATOM 4642 OH2 TIP3 522 -1.550 6.742 5.793 1.00 0.00 WT1 O ATOM 4643 H1 TIP3 522 5.890 31.865 7.798 1.00 0.00 WT1 H ATOM 4644 H2 TIP3 522 -1.478 13.653 15.275 1.00 0.00 WT1 H ATOM 4645 OH2 TIP3 523 -2.366 10.514 2.418 1.00 0.00 WT1 O ATOM 4646 H1 TIP3 523 6.083 8.919 2.253 1.00 0.00 WT1 H ATOM 4647 H2 TIP3 523 6.695 8.002 7.436 1.00 0.00 WT1 H ATOM 4648 OH2 TIP3 524 5.168 -0.333 -6.179 1.00 0.00 WT1 O ATOM 4649 H1 TIP3 524 -0.271 -9.303 -10.506 1.00 0.00 WT1 H ATOM 4650 H2 TIP3 524 4.559 -5.313 -6.976 1.00 0.00 WT1 H ATOM 4651 OH2 TIP3 525 0.638 -2.839 3.815 1.00 0.00 WT1 O ATOM 4652 H1 TIP3 525 -9.493 10.018 7.106 1.00 0.00 WT1 H ATOM 4653 H2 TIP3 525 -2.847 -10.653 -3.307 1.00 0.00 WT1 H ATOM 4654 OH2 TIP3 526 -1.528 5.817 6.145 1.00 0.00 WT1 O ATOM 4655 H1 TIP3 526 -6.701 8.131 -3.425 1.00 0.00 WT1 H ATOM 4656 H2 TIP3 526 -26.260 6.680 8.835 1.00 0.00 WT1 H ATOM 4657 OH2 TIP3 527 -0.770 8.146 5.424 1.00 0.00 WT1 O ATOM 4658 H1 TIP3 527 -6.508 -5.673 1.830 1.00 0.00 WT1 H ATOM 4659 H2 TIP3 527 -7.935 17.009 11.563 1.00 0.00 WT1 H ATOM 4660 OH2 TIP3 528 6.723 -5.887 3.249 1.00 0.00 WT1 O ATOM 4661 H1 TIP3 528 7.138 -7.071 2.033 1.00 0.00 WT1 H ATOM 4662 H2 TIP3 528 1.738 2.766 16.824 1.00 0.00 WT1 H ATOM 4663 OH2 TIP3 529 3.704 -5.085 -1.733 1.00 0.00 WT1 O ATOM 4664 H1 TIP3 529 -6.802 -0.584 18.153 1.00 0.00 WT1 H ATOM 4665 H2 TIP3 529 1.318 8.730 -12.206 1.00 0.00 WT1 H ATOM 4666 OH2 TIP3 530 3.413 9.630 3.490 1.00 0.00 WT1 O ATOM 4667 H1 TIP3 530 2.899 11.009 1.684 1.00 0.00 WT1 H ATOM 4668 H2 TIP3 530 4.533 3.185 13.827 1.00 0.00 WT1 H ATOM 4669 OH2 TIP3 531 -2.626 -4.416 -0.045 1.00 0.00 WT1 O ATOM 4670 H1 TIP3 531 -4.016 -4.586 1.953 1.00 0.00 WT1 H ATOM 4671 H2 TIP3 531 -4.384 -7.155 -4.914 1.00 0.00 WT1 H ATOM 4672 OH2 TIP3 532 3.090 -3.583 2.394 1.00 0.00 WT1 O ATOM 4673 H1 TIP3 532 17.908 10.849 -6.587 1.00 0.00 WT1 H ATOM 4674 H2 TIP3 532 -4.718 9.835 -4.091 1.00 0.00 WT1 H ATOM 4675 OH2 TIP3 533 -6.984 -0.057 -3.949 1.00 0.00 WT1 O ATOM 4676 H1 TIP3 533 -3.938 -1.318 4.823 1.00 0.00 WT1 H ATOM 4677 H2 TIP3 533 -2.554 -0.457 -6.257 1.00 0.00 WT1 H ATOM 4678 OH2 TIP3 534 1.374 -0.186 -3.631 1.00 0.00 WT1 O ATOM 4679 H1 TIP3 534 7.928 25.259 -2.347 1.00 0.00 WT1 H ATOM 4680 H2 TIP3 534 -13.425 -5.055 19.036 1.00 0.00 WT1 H ATOM 4681 OH2 TIP3 535 1.978 4.842 3.724 1.00 0.00 WT1 O ATOM 4682 H1 TIP3 535 -24.595 19.553 25.019 1.00 0.00 WT1 H ATOM 4683 H2 TIP3 535 1.771 1.027 -1.398 1.00 0.00 WT1 H ATOM 4684 OH2 TIP3 536 -2.269 1.590 -3.121 1.00 0.00 WT1 O ATOM 4685 H1 TIP3 536 -7.708 -17.672 -9.933 1.00 0.00 WT1 H ATOM 4686 H2 TIP3 536 23.383 4.557 -12.702 1.00 0.00 WT1 H ATOM 4687 OH2 TIP3 537 5.902 3.612 1.556 1.00 0.00 WT1 O ATOM 4688 H1 TIP3 537 19.237 6.183 2.164 1.00 0.00 WT1 H ATOM 4689 H2 TIP3 537 16.550 8.551 7.284 1.00 0.00 WT1 H ATOM 4690 OH2 TIP3 538 4.450 1.650 -1.595 1.00 0.00 WT1 O ATOM 4691 H1 TIP3 538 -9.210 1.596 0.957 1.00 0.00 WT1 H ATOM 4692 H2 TIP3 538 0.846 4.303 -1.838 1.00 0.00 WT1 H ATOM 4693 OH2 TIP3 539 4.357 4.509 3.306 1.00 0.00 WT1 O ATOM 4694 H1 TIP3 539 8.498 18.712 -16.532 1.00 0.00 WT1 H ATOM 4695 H2 TIP3 539 3.090 -5.052 16.284 1.00 0.00 WT1 H ATOM 4696 OH2 TIP3 540 0.579 2.489 -0.660 1.00 0.00 WT1 O ATOM 4697 H1 TIP3 540 -2.865 -26.688 -14.920 1.00 0.00 WT1 H ATOM 4698 H2 TIP3 540 2.791 10.601 4.672 1.00 0.00 WT1 H ATOM 4699 OH2 TIP3 541 8.784 2.948 -5.310 1.00 0.00 WT1 O ATOM 4700 H1 TIP3 541 2.142 -5.512 -21.635 1.00 0.00 WT1 H ATOM 4701 H2 TIP3 541 1.354 -2.031 -32.824 1.00 0.00 WT1 H ATOM 4702 OH2 TIP3 542 1.437 0.232 -0.837 1.00 0.00 WT1 O ATOM 4703 H1 TIP3 542 -6.940 14.461 5.880 1.00 0.00 WT1 H ATOM 4704 H2 TIP3 542 -10.743 5.355 1.119 1.00 0.00 WT1 H ATOM 4705 OH2 TIP3 543 -0.744 -2.985 -1.857 1.00 0.00 WT1 O ATOM 4706 H1 TIP3 543 -16.506 10.611 -3.420 1.00 0.00 WT1 H ATOM 4707 H2 TIP3 543 4.023 -5.224 -0.579 1.00 0.00 WT1 H ATOM 4708 OH2 TIP3 544 -1.406 -1.473 0.371 1.00 0.00 WT1 O ATOM 4709 H1 TIP3 544 14.212 -12.715 6.457 1.00 0.00 WT1 H ATOM 4710 H2 TIP3 544 2.327 26.945 22.100 1.00 0.00 WT1 H ATOM 4711 OH2 TIP3 546 -4.587 -6.670 -2.736 1.00 0.00 WT1 O ATOM 4712 H1 TIP3 546 10.443 -7.643 -8.531 1.00 0.00 WT1 H ATOM 4713 H2 TIP3 546 -2.921 1.858 -3.533 1.00 0.00 WT1 H ATOM 4714 OH2 TIP3 547 -0.432 3.756 -6.123 1.00 0.00 WT1 O ATOM 4715 H1 TIP3 547 -11.928 -4.695 8.654 1.00 0.00 WT1 H ATOM 4716 H2 TIP3 547 1.325 -2.028 -5.920 1.00 0.00 WT1 H ATOM 4717 OH2 TIP3 549 3.254 0.713 -1.559 1.00 0.00 WT1 O ATOM 4718 H1 TIP3 549 15.500 3.978 4.405 1.00 0.00 WT1 H ATOM 4719 H2 TIP3 549 -5.694 -10.765 -4.449 1.00 0.00 WT1 H ATOM 4720 OH2 TIP3 550 2.733 -0.772 -5.193 1.00 0.00 WT1 O ATOM 4721 H1 TIP3 550 11.318 -11.893 -3.574 1.00 0.00 WT1 H ATOM 4722 H2 TIP3 550 14.885 -7.210 13.962 1.00 0.00 WT1 H ATOM 4723 OH2 TIP3 551 -2.434 -2.045 -2.290 1.00 0.00 WT1 O ATOM 4724 H1 TIP3 551 -13.469 -6.054 -12.708 1.00 0.00 WT1 H ATOM 4725 H2 TIP3 551 -1.746 3.151 7.766 1.00 0.00 WT1 H ATOM 4726 OH2 TIP3 552 6.368 0.134 1.376 1.00 0.00 WT1 O ATOM 4727 H1 TIP3 552 15.922 0.718 11.985 1.00 0.00 WT1 H ATOM 4728 H2 TIP3 552 3.633 -0.979 -4.393 1.00 0.00 WT1 H ATOM 4729 OH2 TIP3 553 -3.836 5.586 -0.245 1.00 0.00 WT1 O ATOM 4730 H1 TIP3 553 -4.780 10.273 -0.627 1.00 0.00 WT1 H ATOM 4731 H2 TIP3 553 5.426 -28.048 23.746 1.00 0.00 WT1 H ATOM 4732 OH2 TIP3 554 5.130 -1.153 4.593 1.00 0.00 WT1 O ATOM 4733 H1 TIP3 554 1.185 10.132 -9.012 1.00 0.00 WT1 H ATOM 4734 H2 TIP3 554 14.580 -1.127 17.634 1.00 0.00 WT1 H ATOM 4735 OH2 TIP3 555 -2.946 -2.458 3.846 1.00 0.00 WT1 O ATOM 4736 H1 TIP3 555 14.831 -18.891 31.038 1.00 0.00 WT1 H ATOM 4737 H2 TIP3 555 -15.393 -3.391 13.322 1.00 0.00 WT1 H ATOM 4738 OH2 TIP3 556 -2.861 3.529 -5.182 1.00 0.00 WT1 O ATOM 4739 H1 TIP3 556 -5.938 5.762 20.107 1.00 0.00 WT1 H ATOM 4740 H2 TIP3 556 3.038 23.847 1.843 1.00 0.00 WT1 H ATOM 4741 OH2 TIP3 557 0.641 -2.070 -2.225 1.00 0.00 WT1 O ATOM 4742 H1 TIP3 557 -23.235 -1.315 2.225 1.00 0.00 WT1 H ATOM 4743 H2 TIP3 557 0.351 -18.236 9.230 1.00 0.00 WT1 H ATOM 4744 OH2 TIP3 558 -1.102 0.605 -0.671 1.00 0.00 WT1 O ATOM 4745 H1 TIP3 558 4.780 -3.142 5.445 1.00 0.00 WT1 H ATOM 4746 H2 TIP3 558 9.145 3.314 7.272 1.00 0.00 WT1 H ATOM 4747 OH2 TIP3 559 -0.326 0.303 -11.047 1.00 0.00 WT1 O ATOM 4748 H1 TIP3 559 3.212 2.740 -10.693 1.00 0.00 WT1 H ATOM 4749 H2 TIP3 559 -0.606 -3.271 -15.320 1.00 0.00 WT1 H ATOM 4750 OH2 TIP3 560 0.716 -2.440 -5.575 1.00 0.00 WT1 O ATOM 4751 H1 TIP3 560 -12.579 -6.315 7.097 1.00 0.00 WT1 H ATOM 4752 H2 TIP3 560 10.383 -2.545 19.314 1.00 0.00 WT1 H ATOM 4753 OH2 TIP3 561 -6.506 1.598 6.165 1.00 0.00 WT1 O ATOM 4754 H1 TIP3 561 6.871 -16.100 2.838 1.00 0.00 WT1 H ATOM 4755 H2 TIP3 561 1.076 22.432 -11.417 1.00 0.00 WT1 H ATOM 4756 OH2 TIP3 562 -3.714 -3.883 3.905 1.00 0.00 WT1 O ATOM 4757 H1 TIP3 562 -1.968 2.260 12.951 1.00 0.00 WT1 H ATOM 4758 H2 TIP3 562 -3.867 3.228 -4.272 1.00 0.00 WT1 H ATOM 4759 OH2 TIP3 563 6.350 3.922 3.235 1.00 0.00 WT1 O ATOM 4760 H1 TIP3 563 -3.241 14.444 -3.536 1.00 0.00 WT1 H ATOM 4761 H2 TIP3 563 10.442 -0.653 -5.339 1.00 0.00 WT1 H ATOM 4762 OH2 TIP3 564 -0.876 2.363 2.517 1.00 0.00 WT1 O ATOM 4763 H1 TIP3 564 3.003 23.889 -8.201 1.00 0.00 WT1 H ATOM 4764 H2 TIP3 564 10.685 9.546 -3.601 1.00 0.00 WT1 H ATOM 4765 OH2 TIP3 565 4.151 -4.228 7.685 1.00 0.00 WT1 O ATOM 4766 H1 TIP3 565 6.547 -3.165 2.082 1.00 0.00 WT1 H ATOM 4767 H2 TIP3 565 5.422 -6.222 2.604 1.00 0.00 WT1 H ATOM 4768 OH2 TIP3 567 2.211 -1.900 -0.081 1.00 0.00 WT1 O ATOM 4769 H1 TIP3 567 22.570 -9.014 -14.313 1.00 0.00 WT1 H ATOM 4770 H2 TIP3 567 -15.439 9.458 -14.676 1.00 0.00 WT1 H ATOM 4771 OH2 TIP3 568 -2.045 2.827 -2.907 1.00 0.00 WT1 O ATOM 4772 H1 TIP3 568 -2.199 -9.562 -12.224 1.00 0.00 WT1 H ATOM 4773 H2 TIP3 568 -12.776 3.085 -28.554 1.00 0.00 WT1 H ATOM 4774 OH2 TIP3 569 -1.319 -4.059 -4.206 1.00 0.00 WT1 O ATOM 4775 H1 TIP3 569 -12.504 7.031 52.211 1.00 0.00 WT1 H ATOM 4776 H2 TIP3 569 5.317 -11.297 -22.170 1.00 0.00 WT1 H ATOM 4777 OH2 TIP3 570 0.069 -4.574 -2.564 1.00 0.00 WT1 O ATOM 4778 H1 TIP3 570 25.897 -11.257 15.618 1.00 0.00 WT1 H ATOM 4779 H2 TIP3 570 -9.847 -27.354 2.974 1.00 0.00 WT1 H ATOM 4780 OH2 TIP3 571 -2.775 1.179 -1.726 1.00 0.00 WT1 O ATOM 4781 H1 TIP3 571 -14.078 -1.197 -0.931 1.00 0.00 WT1 H ATOM 4782 H2 TIP3 571 -11.271 11.251 -8.142 1.00 0.00 WT1 H ATOM 4783 OH2 TIP3 572 -11.747 -1.174 -2.632 1.00 0.00 WT1 O ATOM 4784 H1 TIP3 572 -9.068 -4.136 -10.118 1.00 0.00 WT1 H ATOM 4785 H2 TIP3 572 -3.447 9.379 -2.461 1.00 0.00 WT1 H ATOM 4786 OH2 TIP3 573 0.450 1.103 6.995 1.00 0.00 WT1 O ATOM 4787 H1 TIP3 573 -8.749 15.359 12.619 1.00 0.00 WT1 H ATOM 4788 H2 TIP3 573 36.060 20.627 -17.350 1.00 0.00 WT1 H ATOM 4789 OH2 TIP3 574 2.671 -2.384 3.352 1.00 0.00 WT1 O ATOM 4790 H1 TIP3 574 5.800 9.213 -6.476 1.00 0.00 WT1 H ATOM 4791 H2 TIP3 574 0.083 5.250 17.383 1.00 0.00 WT1 H ATOM 4792 OH2 TIP3 575 -4.944 2.204 -0.338 1.00 0.00 WT1 O ATOM 4793 H1 TIP3 575 -12.826 21.468 7.565 1.00 0.00 WT1 H ATOM 4794 H2 TIP3 575 -9.958 1.805 -6.132 1.00 0.00 WT1 H ATOM 4795 OH2 TIP3 576 0.424 1.066 -3.241 1.00 0.00 WT1 O ATOM 4796 H1 TIP3 576 -15.562 8.830 1.374 1.00 0.00 WT1 H ATOM 4797 H2 TIP3 576 8.680 26.699 0.556 1.00 0.00 WT1 H ATOM 4798 OH2 TIP3 577 -1.231 -1.739 1.726 1.00 0.00 WT1 O ATOM 4799 H1 TIP3 577 -8.953 -5.076 2.368 1.00 0.00 WT1 H ATOM 4800 H2 TIP3 577 -4.252 9.063 1.140 1.00 0.00 WT1 H ATOM 4801 OH2 TIP3 578 -6.959 -0.560 0.228 1.00 0.00 WT1 O ATOM 4802 H1 TIP3 578 5.214 9.854 -12.044 1.00 0.00 WT1 H ATOM 4803 H2 TIP3 578 -5.072 -10.298 9.042 1.00 0.00 WT1 H ATOM 4804 OH2 TIP3 579 5.984 0.079 -2.968 1.00 0.00 WT1 O ATOM 4805 H1 TIP3 579 -9.366 17.505 -3.604 1.00 0.00 WT1 H ATOM 4806 H2 TIP3 579 -19.804 -18.953 29.634 1.00 0.00 WT1 H ATOM 4807 OH2 TIP3 580 5.108 -1.773 -0.909 1.00 0.00 WT1 O ATOM 4808 H1 TIP3 580 12.561 7.485 18.815 1.00 0.00 WT1 H ATOM 4809 H2 TIP3 580 -12.766 32.575 19.711 1.00 0.00 WT1 H ATOM 4810 OH2 TIP3 581 5.518 3.785 -4.549 1.00 0.00 WT1 O ATOM 4811 H1 TIP3 581 -7.425 7.009 -28.629 1.00 0.00 WT1 H ATOM 4812 H2 TIP3 581 2.136 -15.754 16.081 1.00 0.00 WT1 H ATOM 4813 OH2 TIP3 582 -5.796 7.014 -5.627 1.00 0.00 WT1 O ATOM 4814 H1 TIP3 582 24.306 6.070 -15.757 1.00 0.00 WT1 H ATOM 4815 H2 TIP3 582 -7.287 -17.453 5.226 1.00 0.00 WT1 H ATOM 4816 OH2 TIP3 583 -2.225 0.910 -2.912 1.00 0.00 WT1 O ATOM 4817 H1 TIP3 583 -10.392 -5.181 -4.345 1.00 0.00 WT1 H ATOM 4818 H2 TIP3 583 11.216 -19.283 3.563 1.00 0.00 WT1 H ATOM 4819 OH2 TIP3 584 2.835 -3.581 -2.760 1.00 0.00 WT1 O ATOM 4820 H1 TIP3 584 2.158 10.780 9.606 1.00 0.00 WT1 H ATOM 4821 H2 TIP3 584 11.696 4.156 -17.727 1.00 0.00 WT1 H ATOM 4822 OH2 TIP3 585 0.652 1.705 1.017 1.00 0.00 WT1 O ATOM 4823 H1 TIP3 585 6.692 -1.285 0.725 1.00 0.00 WT1 H ATOM 4824 H2 TIP3 585 2.151 8.024 2.314 1.00 0.00 WT1 H ATOM 4825 OH2 TIP3 586 -6.229 -3.469 5.260 1.00 0.00 WT1 O ATOM 4826 H1 TIP3 586 -2.388 4.334 -7.192 1.00 0.00 WT1 H ATOM 4827 H2 TIP3 586 -3.378 14.856 -29.706 1.00 0.00 WT1 H ATOM 4828 OH2 TIP3 587 -2.248 10.319 -0.620 1.00 0.00 WT1 O ATOM 4829 H1 TIP3 587 7.641 19.833 -3.003 1.00 0.00 WT1 H ATOM 4830 H2 TIP3 587 -7.207 17.298 3.346 1.00 0.00 WT1 H ATOM 4831 OH2 TIP3 588 -5.389 6.144 0.872 1.00 0.00 WT1 O ATOM 4832 H1 TIP3 588 -8.798 -2.483 6.699 1.00 0.00 WT1 H ATOM 4833 H2 TIP3 588 15.013 11.003 11.995 1.00 0.00 WT1 H ATOM 4834 OH2 TIP3 589 1.928 1.658 -1.391 1.00 0.00 WT1 O ATOM 4835 H1 TIP3 589 7.750 1.442 -8.505 1.00 0.00 WT1 H ATOM 4836 H2 TIP3 589 -0.329 0.617 5.807 1.00 0.00 WT1 H ATOM 4837 OH2 TIP3 590 -3.390 2.879 5.449 1.00 0.00 WT1 O ATOM 4838 H1 TIP3 590 -2.858 -5.345 10.756 1.00 0.00 WT1 H ATOM 4839 H2 TIP3 590 -13.029 -13.239 -14.620 1.00 0.00 WT1 H ATOM 4840 OH2 TIP3 591 -8.721 2.389 -5.706 1.00 0.00 WT1 O ATOM 4841 H1 TIP3 591 -12.220 -3.645 5.226 1.00 0.00 WT1 H ATOM 4842 H2 TIP3 591 -8.637 -4.333 14.548 1.00 0.00 WT1 H ATOM 4843 OH2 TIP3 592 -2.830 -3.319 -1.133 1.00 0.00 WT1 O ATOM 4844 H1 TIP3 592 -8.651 -11.244 -6.086 1.00 0.00 WT1 H ATOM 4845 H2 TIP3 592 -12.181 -3.847 1.995 1.00 0.00 WT1 H ATOM 4846 OH2 TIP3 593 2.223 5.563 1.503 1.00 0.00 WT1 O ATOM 4847 H1 TIP3 593 3.000 2.472 -3.375 1.00 0.00 WT1 H ATOM 4848 H2 TIP3 593 5.349 2.484 -2.696 1.00 0.00 WT1 H ATOM 4849 OH2 TIP3 594 2.664 1.677 -0.082 1.00 0.00 WT1 O ATOM 4850 H1 TIP3 594 9.743 10.424 -2.406 1.00 0.00 WT1 H ATOM 4851 H2 TIP3 594 -6.403 -3.300 -12.214 1.00 0.00 WT1 H ATOM 4852 OH2 TIP3 595 -2.163 -5.300 6.235 1.00 0.00 WT1 O ATOM 4853 H1 TIP3 595 6.805 6.500 -16.826 1.00 0.00 WT1 H ATOM 4854 H2 TIP3 595 11.608 -1.428 -15.778 1.00 0.00 WT1 H ATOM 4855 OH2 TIP3 596 3.751 -0.095 2.233 1.00 0.00 WT1 O ATOM 4856 H1 TIP3 596 26.930 8.925 -10.122 1.00 0.00 WT1 H ATOM 4857 H2 TIP3 596 -0.042 -13.089 -22.517 1.00 0.00 WT1 H ATOM 4858 OH2 TIP3 597 -5.372 7.377 -1.283 1.00 0.00 WT1 O ATOM 4859 H1 TIP3 597 -12.748 6.910 -11.879 1.00 0.00 WT1 H ATOM 4860 H2 TIP3 597 9.666 16.002 19.956 1.00 0.00 WT1 H ATOM 4861 OH2 TIP3 598 -3.615 0.883 4.670 1.00 0.00 WT1 O ATOM 4862 H1 TIP3 598 4.893 7.032 10.160 1.00 0.00 WT1 H ATOM 4863 H2 TIP3 598 10.673 1.790 2.514 1.00 0.00 WT1 H ATOM 4864 OH2 TIP3 599 1.160 0.272 2.481 1.00 0.00 WT1 O ATOM 4865 H1 TIP3 599 -4.718 5.570 7.519 1.00 0.00 WT1 H ATOM 4866 H2 TIP3 599 19.066 -16.821 -9.555 1.00 0.00 WT1 H ATOM 4867 OH2 TIP3 600 4.705 -1.056 -1.612 1.00 0.00 WT1 O ATOM 4868 H1 TIP3 600 12.266 0.100 -17.141 1.00 0.00 WT1 H ATOM 4869 H2 TIP3 600 16.288 23.003 -19.987 1.00 0.00 WT1 H ATOM 4870 OH2 TIP3 602 5.262 6.064 1.288 1.00 0.00 WT1 O ATOM 4871 H1 TIP3 602 -5.182 -10.603 7.845 1.00 0.00 WT1 H ATOM 4872 H2 TIP3 602 6.617 9.830 5.479 1.00 0.00 WT1 H ATOM 4873 OH2 TIP3 603 -6.484 -0.067 2.146 1.00 0.00 WT1 O ATOM 4874 H1 TIP3 603 -7.497 5.393 -9.056 1.00 0.00 WT1 H ATOM 4875 H2 TIP3 603 -17.062 7.120 10.055 1.00 0.00 WT1 H ATOM 4876 OH2 TIP3 604 3.010 -4.248 0.104 1.00 0.00 WT1 O ATOM 4877 H1 TIP3 604 -5.166 3.155 -12.401 1.00 0.00 WT1 H ATOM 4878 H2 TIP3 604 10.871 7.444 3.120 1.00 0.00 WT1 H ATOM 4879 OH2 TIP3 605 0.673 1.146 -0.824 1.00 0.00 WT1 O ATOM 4880 H1 TIP3 605 -8.357 -19.441 -0.464 1.00 0.00 WT1 H ATOM 4881 H2 TIP3 605 8.557 11.187 12.732 1.00 0.00 WT1 H ATOM 4882 OH2 TIP3 606 -8.788 0.502 -1.696 1.00 0.00 WT1 O ATOM 4883 H1 TIP3 606 -8.357 2.532 -8.020 1.00 0.00 WT1 H ATOM 4884 H2 TIP3 606 -5.277 -1.738 4.252 1.00 0.00 WT1 H ATOM 4885 OH2 TIP3 607 -12.378 -5.549 1.112 1.00 0.00 WT1 O ATOM 4886 H1 TIP3 607 -6.008 -13.819 22.606 1.00 0.00 WT1 H ATOM 4887 H2 TIP3 607 5.996 13.037 16.347 1.00 0.00 WT1 H ATOM 4888 OH2 TIP3 608 7.280 -0.044 0.439 1.00 0.00 WT1 O ATOM 4889 H1 TIP3 608 14.559 -0.710 8.680 1.00 0.00 WT1 H ATOM 4890 H2 TIP3 608 -12.270 -9.881 0.508 1.00 0.00 WT1 H ATOM 4891 OH2 TIP3 609 2.425 1.425 -0.209 1.00 0.00 WT1 O ATOM 4892 H1 TIP3 609 -19.745 -12.936 0.642 1.00 0.00 WT1 H ATOM 4893 H2 TIP3 609 -20.174 -33.801 -29.218 1.00 0.00 WT1 H ATOM 4894 OH2 TIP3 610 3.541 -3.239 -0.135 1.00 0.00 WT1 O ATOM 4895 H1 TIP3 610 5.324 -10.091 11.442 1.00 0.00 WT1 H ATOM 4896 H2 TIP3 610 0.824 -2.565 1.469 1.00 0.00 WT1 H ATOM 4897 OH2 TIP3 611 -2.575 -3.175 1.920 1.00 0.00 WT1 O ATOM 4898 H1 TIP3 611 1.157 -6.134 1.818 1.00 0.00 WT1 H ATOM 4899 H2 TIP3 611 -6.319 -0.948 -1.633 1.00 0.00 WT1 H ATOM 4900 OH2 TIP3 612 -6.083 1.602 -2.005 1.00 0.00 WT1 O ATOM 4901 H1 TIP3 612 22.751 -1.976 2.664 1.00 0.00 WT1 H ATOM 4902 H2 TIP3 612 -14.392 3.477 -2.680 1.00 0.00 WT1 H ATOM 4903 OH2 TIP3 613 -2.658 3.558 -1.889 1.00 0.00 WT1 O ATOM 4904 H1 TIP3 613 -7.776 0.196 -6.579 1.00 0.00 WT1 H ATOM 4905 H2 TIP3 613 5.253 12.734 16.526 1.00 0.00 WT1 H ATOM 4906 OH2 TIP3 614 2.736 -0.941 -4.994 1.00 0.00 WT1 O ATOM 4907 H1 TIP3 614 -8.160 -5.247 27.767 1.00 0.00 WT1 H ATOM 4908 H2 TIP3 614 -1.877 20.697 -17.620 1.00 0.00 WT1 H ATOM 4909 OH2 TIP3 615 -1.078 2.650 1.800 1.00 0.00 WT1 O ATOM 4910 H1 TIP3 615 -10.928 6.451 1.772 1.00 0.00 WT1 H ATOM 4911 H2 TIP3 615 -0.267 0.799 11.702 1.00 0.00 WT1 H ATOM 4912 OH2 TIP3 616 -5.731 3.779 -0.977 1.00 0.00 WT1 O ATOM 4913 H1 TIP3 616 -11.498 -0.785 -5.630 1.00 0.00 WT1 H ATOM 4914 H2 TIP3 616 2.284 10.922 3.895 1.00 0.00 WT1 H ATOM 4915 OH2 TIP3 617 -1.852 -1.031 3.334 1.00 0.00 WT1 O ATOM 4916 H1 TIP3 617 -0.776 2.966 -0.393 1.00 0.00 WT1 H ATOM 4917 H2 TIP3 617 -0.034 -4.929 6.293 1.00 0.00 WT1 H ATOM 4918 OH2 TIP3 618 5.239 -7.050 -2.200 1.00 0.00 WT1 O ATOM 4919 H1 TIP3 618 2.609 -3.756 4.125 1.00 0.00 WT1 H ATOM 4920 H2 TIP3 618 2.934 -2.267 -7.876 1.00 0.00 WT1 H ATOM 4921 OH2 TIP3 619 -7.686 -2.413 0.824 1.00 0.00 WT1 O ATOM 4922 H1 TIP3 619 -4.706 -9.092 -22.786 1.00 0.00 WT1 H ATOM 4923 H2 TIP3 619 12.785 -4.387 -20.638 1.00 0.00 WT1 H ATOM 4924 OH2 TIP3 620 2.617 -0.374 -1.287 1.00 0.00 WT1 O ATOM 4925 H1 TIP3 620 -7.095 -0.808 22.354 1.00 0.00 WT1 H ATOM 4926 H2 TIP3 620 -2.441 -0.432 11.043 1.00 0.00 WT1 H ATOM 4927 OH2 TIP3 621 -10.304 -4.766 2.724 1.00 0.00 WT1 O ATOM 4928 H1 TIP3 621 -14.813 0.742 -0.518 1.00 0.00 WT1 H ATOM 4929 H2 TIP3 621 -7.344 -8.091 -4.978 1.00 0.00 WT1 H ATOM 4930 OH2 TIP3 622 -6.814 7.458 -0.281 1.00 0.00 WT1 O ATOM 4931 H1 TIP3 622 -22.697 29.667 16.101 1.00 0.00 WT1 H ATOM 4932 H2 TIP3 622 -5.051 28.077 18.542 1.00 0.00 WT1 H ATOM 4933 OH2 TIP3 623 -0.107 3.276 -2.036 1.00 0.00 WT1 O ATOM 4934 H1 TIP3 623 4.071 -17.904 -1.673 1.00 0.00 WT1 H ATOM 4935 H2 TIP3 623 -1.891 -2.290 -3.602 1.00 0.00 WT1 H ATOM 4936 OH2 TIP3 624 -2.641 7.651 -5.751 1.00 0.00 WT1 O ATOM 4937 H1 TIP3 624 -4.644 -18.017 -18.387 1.00 0.00 WT1 H ATOM 4938 H2 TIP3 624 -0.033 5.970 -0.150 1.00 0.00 WT1 H ATOM 4939 OH2 TIP3 625 -8.549 0.330 3.078 1.00 0.00 WT1 O ATOM 4940 H1 TIP3 625 -14.437 7.894 -2.806 1.00 0.00 WT1 H ATOM 4941 H2 TIP3 625 -5.515 2.523 -25.329 1.00 0.00 WT1 H ATOM 4942 OH2 TIP3 626 2.381 -1.319 7.803 1.00 0.00 WT1 O ATOM 4943 H1 TIP3 626 -1.452 9.272 4.312 1.00 0.00 WT1 H ATOM 4944 H2 TIP3 626 -26.224 -2.723 1.359 1.00 0.00 WT1 H ATOM 4945 OH2 TIP3 627 2.163 6.012 -1.381 1.00 0.00 WT1 O ATOM 4946 H1 TIP3 627 -3.810 5.303 -11.318 1.00 0.00 WT1 H ATOM 4947 H2 TIP3 627 -7.534 6.236 -8.439 1.00 0.00 WT1 H ATOM 4948 OH2 TIP3 628 4.698 -5.695 -0.991 1.00 0.00 WT1 O ATOM 4949 H1 TIP3 628 8.781 -18.987 24.969 1.00 0.00 WT1 H ATOM 4950 H2 TIP3 628 -18.027 14.336 -6.455 1.00 0.00 WT1 H ATOM 4951 OH2 TIP3 629 4.677 -4.241 2.607 1.00 0.00 WT1 O ATOM 4952 H1 TIP3 629 10.939 -14.939 12.809 1.00 0.00 WT1 H ATOM 4953 H2 TIP3 629 10.183 3.563 4.707 1.00 0.00 WT1 H ATOM 4954 OH2 TIP3 630 6.141 -3.166 -2.851 1.00 0.00 WT1 O ATOM 4955 H1 TIP3 630 -7.853 -9.439 10.019 1.00 0.00 WT1 H ATOM 4956 H2 TIP3 630 -4.592 -7.408 -17.992 1.00 0.00 WT1 H ATOM 4957 OH2 TIP3 631 -0.774 9.672 -0.339 1.00 0.00 WT1 O ATOM 4958 H1 TIP3 631 -0.393 12.973 6.305 1.00 0.00 WT1 H ATOM 4959 H2 TIP3 631 3.363 11.906 2.063 1.00 0.00 WT1 H ATOM 4960 OH2 TIP3 632 -1.727 6.179 -5.113 1.00 0.00 WT1 O ATOM 4961 H1 TIP3 632 1.205 -0.499 -1.895 1.00 0.00 WT1 H ATOM 4962 H2 TIP3 632 -10.687 23.603 -10.738 1.00 0.00 WT1 H ATOM 4963 OH2 TIP3 633 -2.567 1.503 -2.972 1.00 0.00 WT1 O ATOM 4964 H1 TIP3 633 -2.743 -6.451 -24.992 1.00 0.00 WT1 H ATOM 4965 H2 TIP3 633 -2.408 -11.601 2.916 1.00 0.00 WT1 H ATOM 4966 OH2 TIP3 634 -3.478 0.204 1.101 1.00 0.00 WT1 O ATOM 4967 H1 TIP3 634 -0.608 0.229 3.087 1.00 0.00 WT1 H ATOM 4968 H2 TIP3 634 -7.093 0.577 -1.597 1.00 0.00 WT1 H ATOM 4969 OH2 TIP3 635 -0.104 5.203 -1.405 1.00 0.00 WT1 O ATOM 4970 H1 TIP3 635 -7.906 10.912 7.192 1.00 0.00 WT1 H ATOM 4971 H2 TIP3 635 7.388 0.391 -10.339 1.00 0.00 WT1 H ATOM 4972 OH2 TIP3 636 -4.080 -2.467 2.142 1.00 0.00 WT1 O ATOM 4973 H1 TIP3 636 -1.758 8.195 9.187 1.00 0.00 WT1 H ATOM 4974 H2 TIP3 636 -15.659 12.010 -7.288 1.00 0.00 WT1 H ATOM 4975 OH2 TIP3 637 -1.158 -3.107 -6.275 1.00 0.00 WT1 O ATOM 4976 H1 TIP3 637 -14.034 17.684 12.986 1.00 0.00 WT1 H ATOM 4977 H2 TIP3 637 -13.736 11.856 7.123 1.00 0.00 WT1 H ATOM 4978 OH2 TIP3 638 -5.936 1.996 0.104 1.00 0.00 WT1 O ATOM 4979 H1 TIP3 638 -3.747 -7.360 -0.209 1.00 0.00 WT1 H ATOM 4980 H2 TIP3 638 0.580 5.545 -12.631 1.00 0.00 WT1 H ATOM 4981 OH2 TIP3 639 -0.555 3.192 0.578 1.00 0.00 WT1 O ATOM 4982 H1 TIP3 639 -13.501 -7.674 19.601 1.00 0.00 WT1 H ATOM 4983 H2 TIP3 639 -8.479 -3.827 -31.144 1.00 0.00 WT1 H ATOM 4984 OH2 TIP3 640 4.596 4.170 1.482 1.00 0.00 WT1 O ATOM 4985 H1 TIP3 640 -6.185 14.204 19.036 1.00 0.00 WT1 H ATOM 4986 H2 TIP3 640 8.519 -17.441 7.999 1.00 0.00 WT1 H ATOM 4987 OH2 TIP3 641 5.330 6.954 2.050 1.00 0.00 WT1 O ATOM 4988 H1 TIP3 641 -17.248 7.856 -1.294 1.00 0.00 WT1 H ATOM 4989 H2 TIP3 641 1.979 2.756 -7.284 1.00 0.00 WT1 H ATOM 4990 OH2 TIP3 642 0.026 0.060 3.198 1.00 0.00 WT1 O ATOM 4991 H1 TIP3 642 5.040 -2.093 -0.082 1.00 0.00 WT1 H ATOM 4992 H2 TIP3 642 14.175 20.377 5.249 1.00 0.00 WT1 H ATOM 4993 OH2 TIP3 643 2.450 5.631 0.294 1.00 0.00 WT1 O ATOM 4994 H1 TIP3 643 10.663 -13.819 3.960 1.00 0.00 WT1 H ATOM 4995 H2 TIP3 643 -7.655 -3.695 11.877 1.00 0.00 WT1 H ATOM 4996 OH2 TIP3 644 3.161 -5.920 -5.000 1.00 0.00 WT1 O ATOM 4997 H1 TIP3 644 15.792 -8.154 -4.438 1.00 0.00 WT1 H ATOM 4998 H2 TIP3 644 4.350 13.497 -14.141 1.00 0.00 WT1 H ATOM 4999 OH2 TIP3 645 -8.468 0.977 -1.586 1.00 0.00 WT1 O ATOM 5000 H1 TIP3 645 -18.811 12.440 -20.334 1.00 0.00 WT1 H ATOM 5001 H2 TIP3 645 -25.508 -2.983 10.461 1.00 0.00 WT1 H ATOM 5002 OH2 TIP3 646 3.137 2.581 3.795 1.00 0.00 WT1 O ATOM 5003 H1 TIP3 646 3.592 4.810 15.970 1.00 0.00 WT1 H ATOM 5004 H2 TIP3 646 0.772 -0.217 -6.396 1.00 0.00 WT1 H ATOM 5005 OH2 TIP3 647 2.490 4.918 8.487 1.00 0.00 WT1 O ATOM 5006 H1 TIP3 647 -10.042 3.599 4.298 1.00 0.00 WT1 H ATOM 5007 H2 TIP3 647 9.679 2.138 -8.148 1.00 0.00 WT1 H ATOM 5008 OH2 TIP3 648 1.562 -2.410 0.900 1.00 0.00 WT1 O ATOM 5009 H1 TIP3 648 5.438 6.447 -4.249 1.00 0.00 WT1 H ATOM 5010 H2 TIP3 648 -5.001 -2.047 -15.368 1.00 0.00 WT1 H ATOM 5011 OH2 TIP3 649 -1.789 0.324 5.262 1.00 0.00 WT1 O ATOM 5012 H1 TIP3 649 -11.418 24.880 2.683 1.00 0.00 WT1 H ATOM 5013 H2 TIP3 649 -25.801 0.189 -5.161 1.00 0.00 WT1 H ATOM 5014 OH2 TIP3 650 -4.836 3.587 -0.900 1.00 0.00 WT1 O ATOM 5015 H1 TIP3 650 5.479 7.486 13.062 1.00 0.00 WT1 H ATOM 5016 H2 TIP3 650 -8.700 7.423 -0.253 1.00 0.00 WT1 H ATOM 5017 OH2 TIP3 651 -5.225 4.519 0.442 1.00 0.00 WT1 O ATOM 5018 H1 TIP3 651 -27.702 -14.753 -0.739 1.00 0.00 WT1 H ATOM 5019 H2 TIP3 651 -24.884 25.055 -2.637 1.00 0.00 WT1 H ATOM 5020 OH2 TIP3 652 0.115 1.452 -2.179 1.00 0.00 WT1 O ATOM 5021 H1 TIP3 652 -21.088 2.784 -5.961 1.00 0.00 WT1 H ATOM 5022 H2 TIP3 652 -5.094 -17.009 3.156 1.00 0.00 WT1 H ATOM 5023 OH2 TIP3 653 4.731 5.605 -2.961 1.00 0.00 WT1 O ATOM 5024 H1 TIP3 653 9.425 -6.525 1.599 1.00 0.00 WT1 H ATOM 5025 H2 TIP3 653 -4.241 27.848 1.713 1.00 0.00 WT1 H ATOM 5026 OH2 TIP3 654 3.567 2.212 -0.148 1.00 0.00 WT1 O ATOM 5027 H1 TIP3 654 19.233 11.457 -25.511 1.00 0.00 WT1 H ATOM 5028 H2 TIP3 654 3.047 -2.179 5.841 1.00 0.00 WT1 H ATOM 5029 OH2 TIP3 655 0.221 -1.933 -0.008 1.00 0.00 WT1 O ATOM 5030 H1 TIP3 655 -14.767 -3.660 13.039 1.00 0.00 WT1 H ATOM 5031 H2 TIP3 655 0.404 -18.625 -10.258 1.00 0.00 WT1 H ATOM 5032 OH2 TIP3 656 -4.296 2.106 -3.875 1.00 0.00 WT1 O ATOM 5033 H1 TIP3 656 -0.762 -14.054 19.380 1.00 0.00 WT1 H ATOM 5034 H2 TIP3 656 -6.182 0.467 3.536 1.00 0.00 WT1 H ATOM 5035 OH2 TIP3 657 -3.485 2.053 0.870 1.00 0.00 WT1 O ATOM 5036 H1 TIP3 657 13.978 0.417 -7.357 1.00 0.00 WT1 H ATOM 5037 H2 TIP3 657 -6.927 3.397 1.298 1.00 0.00 WT1 H ATOM 5038 OH2 TIP3 658 -1.134 -3.008 3.035 1.00 0.00 WT1 O ATOM 5039 H1 TIP3 658 -1.611 -11.306 2.184 1.00 0.00 WT1 H ATOM 5040 H2 TIP3 658 6.402 -23.296 18.063 1.00 0.00 WT1 H ATOM 5041 OH2 TIP3 659 2.753 4.336 0.715 1.00 0.00 WT1 O ATOM 5042 H1 TIP3 659 -11.746 10.972 2.786 1.00 0.00 WT1 H ATOM 5043 H2 TIP3 659 19.547 5.253 -18.237 1.00 0.00 WT1 H ATOM 5044 OH2 TIP3 660 -7.731 -2.477 1.008 1.00 0.00 WT1 O ATOM 5045 H1 TIP3 660 46.801 -1.612 6.022 1.00 0.00 WT1 H ATOM 5046 H2 TIP3 660 17.093 1.547 4.982 1.00 0.00 WT1 H ATOM 5047 OH2 TIP3 661 1.859 -2.551 7.436 1.00 0.00 WT1 O ATOM 5048 H1 TIP3 661 -6.380 -10.658 8.997 1.00 0.00 WT1 H ATOM 5049 H2 TIP3 661 14.689 -4.033 20.863 1.00 0.00 WT1 H ATOM 5050 OH2 TIP3 662 1.829 6.257 -4.669 1.00 0.00 WT1 O ATOM 5051 H1 TIP3 662 1.019 2.296 11.634 1.00 0.00 WT1 H ATOM 5052 H2 TIP3 662 -20.098 3.849 -4.768 1.00 0.00 WT1 H ATOM 5053 OH2 TIP3 663 -1.079 3.162 2.036 1.00 0.00 WT1 O ATOM 5054 H1 TIP3 663 1.663 3.070 -3.270 1.00 0.00 WT1 H ATOM 5055 H2 TIP3 663 -3.063 7.949 2.207 1.00 0.00 WT1 H ATOM 5056 OH2 TIP3 664 0.905 3.848 1.226 1.00 0.00 WT1 O ATOM 5057 H1 TIP3 664 7.976 12.645 -7.312 1.00 0.00 WT1 H ATOM 5058 H2 TIP3 664 -1.947 -9.498 8.435 1.00 0.00 WT1 H ATOM 5059 OH2 TIP3 665 2.085 2.273 3.271 1.00 0.00 WT1 O ATOM 5060 H1 TIP3 665 6.442 11.318 15.693 1.00 0.00 WT1 H ATOM 5061 H2 TIP3 665 11.953 -7.352 4.368 1.00 0.00 WT1 H ATOM 5062 OH2 TIP3 666 -5.175 -4.863 -2.075 1.00 0.00 WT1 O ATOM 5063 H1 TIP3 666 -1.385 17.424 16.145 1.00 0.00 WT1 H ATOM 5064 H2 TIP3 666 -6.012 -2.212 -11.292 1.00 0.00 WT1 H ATOM 5065 OH2 TIP3 667 -2.538 4.695 3.538 1.00 0.00 WT1 O ATOM 5066 H1 TIP3 667 -0.848 -1.667 11.871 1.00 0.00 WT1 H ATOM 5067 H2 TIP3 667 -5.887 9.040 -1.758 1.00 0.00 WT1 H ATOM 5068 OH2 TIP3 668 -3.353 0.871 -5.532 1.00 0.00 WT1 O ATOM 5069 H1 TIP3 668 -25.047 -14.847 -17.091 1.00 0.00 WT1 H ATOM 5070 H2 TIP3 668 -6.073 19.829 -14.409 1.00 0.00 WT1 H ATOM 5071 OH2 TIP3 669 -2.367 -0.686 -0.622 1.00 0.00 WT1 O ATOM 5072 H1 TIP3 669 -3.107 -16.771 -10.298 1.00 0.00 WT1 H ATOM 5073 H2 TIP3 669 -1.767 3.207 16.541 1.00 0.00 WT1 H ATOM 5074 OH2 TIP3 670 -2.622 5.448 -4.044 1.00 0.00 WT1 O ATOM 5075 H1 TIP3 670 -7.055 -7.557 2.045 1.00 0.00 WT1 H ATOM 5076 H2 TIP3 670 -4.505 3.135 5.400 1.00 0.00 WT1 H ATOM 5077 OH2 TIP3 671 -5.356 4.235 5.323 1.00 0.00 WT1 O ATOM 5078 H1 TIP3 671 -0.491 -8.071 10.050 1.00 0.00 WT1 H ATOM 5079 H2 TIP3 671 12.110 -0.242 -6.690 1.00 0.00 WT1 H ATOM 5080 OH2 TIP3 672 5.679 -5.711 1.931 1.00 0.00 WT1 O ATOM 5081 H1 TIP3 672 1.888 7.709 1.063 1.00 0.00 WT1 H ATOM 5082 H2 TIP3 672 1.139 9.181 1.995 1.00 0.00 WT1 H ATOM 5083 OH2 TIP3 673 2.065 -3.001 -4.240 1.00 0.00 WT1 O ATOM 5084 H1 TIP3 673 9.923 10.336 -17.982 1.00 0.00 WT1 H ATOM 5085 H2 TIP3 673 -8.790 -6.720 2.694 1.00 0.00 WT1 H ATOM 5086 OH2 TIP3 674 1.584 2.012 -4.328 1.00 0.00 WT1 O ATOM 5087 H1 TIP3 674 11.662 -0.450 -3.842 1.00 0.00 WT1 H ATOM 5088 H2 TIP3 674 -4.779 3.132 -1.630 1.00 0.00 WT1 H ATOM 5089 OH2 TIP3 675 2.340 -5.977 -4.386 1.00 0.00 WT1 O ATOM 5090 H1 TIP3 675 2.134 14.924 -3.024 1.00 0.00 WT1 H ATOM 5091 H2 TIP3 675 -16.915 8.451 12.195 1.00 0.00 WT1 H ATOM 5092 OH2 TIP3 676 5.339 4.061 2.333 1.00 0.00 WT1 O ATOM 5093 H1 TIP3 676 6.495 12.170 -21.206 1.00 0.00 WT1 H ATOM 5094 H2 TIP3 676 -37.380 0.636 -6.620 1.00 0.00 WT1 H ATOM 5095 OH2 TIP3 677 -1.282 0.615 -0.531 1.00 0.00 WT1 O ATOM 5096 H1 TIP3 677 6.754 5.521 -10.764 1.00 0.00 WT1 H ATOM 5097 H2 TIP3 677 2.408 4.325 15.027 1.00 0.00 WT1 H ATOM 5098 OH2 TIP3 679 -2.313 0.501 -5.039 1.00 0.00 WT1 O ATOM 5099 H1 TIP3 679 -4.388 -6.466 -10.942 1.00 0.00 WT1 H ATOM 5100 H2 TIP3 679 8.560 -1.177 -10.487 1.00 0.00 WT1 H ATOM 5101 OH2 TIP3 680 5.043 -6.128 4.102 1.00 0.00 WT1 O ATOM 5102 H1 TIP3 680 -5.249 -12.083 -18.264 1.00 0.00 WT1 H ATOM 5103 H2 TIP3 680 10.620 -7.281 10.577 1.00 0.00 WT1 H ATOM 5104 OH2 TIP3 681 -0.960 -7.259 0.127 1.00 0.00 WT1 O ATOM 5105 H1 TIP3 681 17.421 -11.301 -27.679 1.00 0.00 WT1 H ATOM 5106 H2 TIP3 681 -9.542 2.850 0.383 1.00 0.00 WT1 H ATOM 5107 OH2 TIP3 682 -1.939 -3.244 0.950 1.00 0.00 WT1 O ATOM 5108 H1 TIP3 682 4.899 -3.347 26.459 1.00 0.00 WT1 H ATOM 5109 H2 TIP3 682 -12.873 -7.499 -16.004 1.00 0.00 WT1 H ATOM 5110 OH2 TIP3 683 1.187 -3.521 6.018 1.00 0.00 WT1 O ATOM 5111 H1 TIP3 683 6.042 -17.885 -8.122 1.00 0.00 WT1 H ATOM 5112 H2 TIP3 683 -0.279 3.107 14.406 1.00 0.00 WT1 H ATOM 5113 OH2 TIP3 684 4.083 -1.967 -0.855 1.00 0.00 WT1 O ATOM 5114 H1 TIP3 684 -8.258 17.001 2.405 1.00 0.00 WT1 H ATOM 5115 H2 TIP3 684 27.143 3.510 -8.332 1.00 0.00 WT1 H ATOM 5116 OH2 TIP3 685 9.087 -0.261 6.057 1.00 0.00 WT1 O ATOM 5117 H1 TIP3 685 22.658 24.861 0.066 1.00 0.00 WT1 H ATOM 5118 H2 TIP3 685 -4.172 -13.495 25.228 1.00 0.00 WT1 H ATOM 5119 OH2 TIP3 686 4.060 -4.823 -1.659 1.00 0.00 WT1 O ATOM 5120 H1 TIP3 686 0.311 -27.056 10.976 1.00 0.00 WT1 H ATOM 5121 H2 TIP3 686 1.557 5.707 -7.795 1.00 0.00 WT1 H ATOM 5122 OH2 TIP3 687 2.404 -0.822 3.870 1.00 0.00 WT1 O ATOM 5123 H1 TIP3 687 6.714 11.420 15.037 1.00 0.00 WT1 H ATOM 5124 H2 TIP3 687 -7.450 -8.243 15.376 1.00 0.00 WT1 H ATOM 5125 OH2 TIP3 689 -0.060 0.465 -1.416 1.00 0.00 WT1 O ATOM 5126 H1 TIP3 689 1.063 -5.181 -12.824 1.00 0.00 WT1 H ATOM 5127 H2 TIP3 689 -1.751 2.504 2.576 1.00 0.00 WT1 H ATOM 5128 OH2 TIP3 690 4.289 3.410 -3.045 1.00 0.00 WT1 O ATOM 5129 H1 TIP3 690 12.890 -2.845 0.267 1.00 0.00 WT1 H ATOM 5130 H2 TIP3 690 -3.012 -4.731 -5.577 1.00 0.00 WT1 H ATOM 5131 OH2 TIP3 692 4.406 4.577 -6.841 1.00 0.00 WT1 O ATOM 5132 H1 TIP3 692 14.806 5.761 -5.459 1.00 0.00 WT1 H ATOM 5133 H2 TIP3 692 15.223 8.786 -12.274 1.00 0.00 WT1 H ATOM 5134 OH2 TIP3 693 5.643 -2.767 2.589 1.00 0.00 WT1 O ATOM 5135 H1 TIP3 693 -0.602 -11.087 12.525 1.00 0.00 WT1 H ATOM 5136 H2 TIP3 693 5.625 -3.239 -8.964 1.00 0.00 WT1 H ATOM 5137 OH2 TIP3 694 0.793 -0.781 -6.664 1.00 0.00 WT1 O ATOM 5138 H1 TIP3 694 4.248 -7.200 -6.789 1.00 0.00 WT1 H ATOM 5139 H2 TIP3 694 2.357 8.171 -8.236 1.00 0.00 WT1 H ATOM 5140 OH2 TIP3 695 4.576 1.771 -4.775 1.00 0.00 WT1 O ATOM 5141 H1 TIP3 695 4.142 18.582 13.510 1.00 0.00 WT1 H ATOM 5142 H2 TIP3 695 15.732 9.684 -4.716 1.00 0.00 WT1 H ATOM 5143 OH2 TIP3 696 0.260 -0.639 -5.745 1.00 0.00 WT1 O ATOM 5144 H1 TIP3 696 -6.958 -19.938 6.910 1.00 0.00 WT1 H ATOM 5145 H2 TIP3 696 17.859 -2.970 -14.271 1.00 0.00 WT1 H ATOM 5146 OH2 TIP3 697 -1.328 -2.838 -0.973 1.00 0.00 WT1 O ATOM 5147 H1 TIP3 697 -7.878 6.796 4.951 1.00 0.00 WT1 H ATOM 5148 H2 TIP3 697 10.953 0.573 1.473 1.00 0.00 WT1 H ATOM 5149 OH2 TIP3 698 -0.996 1.870 0.361 1.00 0.00 WT1 O ATOM 5150 H1 TIP3 698 10.472 1.570 -10.494 1.00 0.00 WT1 H ATOM 5151 H2 TIP3 698 -13.580 1.582 17.316 1.00 0.00 WT1 H ATOM 5152 OH2 TIP3 699 -8.870 -3.260 -0.275 1.00 0.00 WT1 O ATOM 5153 H1 TIP3 699 -8.574 -23.672 -11.628 1.00 0.00 WT1 H ATOM 5154 H2 TIP3 699 6.369 -9.376 9.642 1.00 0.00 WT1 H ATOM 5155 OH2 TIP3 700 3.222 -2.403 -3.497 1.00 0.00 WT1 O ATOM 5156 H1 TIP3 700 6.795 -12.690 -8.495 1.00 0.00 WT1 H ATOM 5157 H2 TIP3 700 -23.233 -9.227 -8.382 1.00 0.00 WT1 H ATOM 5158 OH2 TIP3 701 -0.175 0.582 -0.769 1.00 0.00 WT1 O ATOM 5159 H1 TIP3 701 -19.840 16.196 14.604 1.00 0.00 WT1 H ATOM 5160 H2 TIP3 701 8.713 29.439 -1.611 1.00 0.00 WT1 H ATOM 5161 OH2 TIP3 702 -1.853 -6.834 0.388 1.00 0.00 WT1 O ATOM 5162 H1 TIP3 702 1.433 17.017 -16.926 1.00 0.00 WT1 H ATOM 5163 H2 TIP3 702 18.551 9.587 10.107 1.00 0.00 WT1 H ATOM 5164 OH2 TIP3 703 -6.523 -3.769 2.064 1.00 0.00 WT1 O ATOM 5165 H1 TIP3 703 0.025 -0.627 11.248 1.00 0.00 WT1 H ATOM 5166 H2 TIP3 703 -9.986 -1.720 -4.482 1.00 0.00 WT1 H ATOM 5167 OH2 TIP3 704 -2.298 2.155 1.063 1.00 0.00 WT1 O ATOM 5168 H1 TIP3 704 -8.529 5.580 17.487 1.00 0.00 WT1 H ATOM 5169 H2 TIP3 704 5.971 4.403 4.072 1.00 0.00 WT1 H ATOM 5170 OH2 TIP3 705 4.019 1.910 -0.280 1.00 0.00 WT1 O ATOM 5171 H1 TIP3 705 -24.636 23.571 10.662 1.00 0.00 WT1 H ATOM 5172 H2 TIP3 705 -0.408 -13.026 2.359 1.00 0.00 WT1 H ATOM 5173 OH2 TIP3 706 5.519 1.740 1.286 1.00 0.00 WT1 O ATOM 5174 H1 TIP3 706 9.753 -5.250 5.312 1.00 0.00 WT1 H ATOM 5175 H2 TIP3 706 18.088 -4.658 5.008 1.00 0.00 WT1 H ATOM 5176 OH2 TIP3 707 -5.829 1.992 -5.907 1.00 0.00 WT1 O ATOM 5177 H1 TIP3 707 13.865 -5.291 -6.455 1.00 0.00 WT1 H ATOM 5178 H2 TIP3 707 -0.680 -3.773 0.953 1.00 0.00 WT1 H ATOM 5179 OH2 TIP3 708 0.446 -1.349 -6.175 1.00 0.00 WT1 O ATOM 5180 H1 TIP3 708 16.286 -9.870 6.130 1.00 0.00 WT1 H ATOM 5181 H2 TIP3 708 8.544 -6.077 -5.120 1.00 0.00 WT1 H ATOM 5182 OH2 TIP3 709 -9.693 -4.203 6.434 1.00 0.00 WT1 O ATOM 5183 H1 TIP3 709 -8.119 1.770 7.868 1.00 0.00 WT1 H ATOM 5184 H2 TIP3 709 -7.358 -6.557 8.910 1.00 0.00 WT1 H ATOM 5185 OH2 TIP3 710 3.127 7.783 2.590 1.00 0.00 WT1 O ATOM 5186 H1 TIP3 710 4.131 19.314 6.632 1.00 0.00 WT1 H ATOM 5187 H2 TIP3 710 -5.223 9.911 -8.059 1.00 0.00 WT1 H ATOM 5188 OH2 TIP3 711 1.528 -0.117 -2.406 1.00 0.00 WT1 O ATOM 5189 H1 TIP3 711 8.590 12.898 -7.763 1.00 0.00 WT1 H ATOM 5190 H2 TIP3 711 -22.399 -9.944 -2.450 1.00 0.00 WT1 H ATOM 5191 OH2 TIP3 712 1.044 0.999 -5.354 1.00 0.00 WT1 O ATOM 5192 H1 TIP3 712 12.490 -5.900 -1.379 1.00 0.00 WT1 H ATOM 5193 H2 TIP3 712 -5.945 3.410 -9.169 1.00 0.00 WT1 H ATOM 5194 OH2 TIP3 713 -4.489 1.689 0.465 1.00 0.00 WT1 O ATOM 5195 H1 TIP3 713 1.861 -0.461 -15.758 1.00 0.00 WT1 H ATOM 5196 H2 TIP3 713 3.983 2.478 9.646 1.00 0.00 WT1 H ATOM 5197 OH2 TIP3 714 -5.759 3.819 -1.714 1.00 0.00 WT1 O ATOM 5198 H1 TIP3 714 11.964 8.503 -17.524 1.00 0.00 WT1 H ATOM 5199 H2 TIP3 714 3.548 -2.927 12.164 1.00 0.00 WT1 H ATOM 5200 OH2 TIP3 715 -1.764 8.167 -2.410 1.00 0.00 WT1 O ATOM 5201 H1 TIP3 715 13.640 13.553 16.466 1.00 0.00 WT1 H ATOM 5202 H2 TIP3 715 -1.306 7.785 -5.785 1.00 0.00 WT1 H ATOM 5203 OH2 TIP3 716 1.818 -5.439 -1.557 1.00 0.00 WT1 O ATOM 5204 H1 TIP3 716 15.268 14.008 3.899 1.00 0.00 WT1 H ATOM 5205 H2 TIP3 716 12.137 4.124 -2.250 1.00 0.00 WT1 H ATOM 5206 OH2 TIP3 717 -2.816 -0.266 8.494 1.00 0.00 WT1 O ATOM 5207 H1 TIP3 717 2.289 -3.059 7.631 1.00 0.00 WT1 H ATOM 5208 H2 TIP3 717 0.434 -12.028 -13.641 1.00 0.00 WT1 H ATOM 5209 OH2 TIP3 718 -4.083 1.183 3.412 1.00 0.00 WT1 O ATOM 5210 H1 TIP3 718 -6.511 -8.813 5.078 1.00 0.00 WT1 H ATOM 5211 H2 TIP3 718 -20.539 -20.469 -11.149 1.00 0.00 WT1 H ATOM 5212 OH2 TIP3 719 2.797 1.245 -3.551 1.00 0.00 WT1 O ATOM 5213 H1 TIP3 719 13.225 -10.467 2.192 1.00 0.00 WT1 H ATOM 5214 H2 TIP3 719 -2.345 -3.687 5.849 1.00 0.00 WT1 H ATOM 5215 OH2 TIP3 720 -1.429 3.347 -0.016 1.00 0.00 WT1 O ATOM 5216 H1 TIP3 720 -0.314 1.972 2.592 1.00 0.00 WT1 H ATOM 5217 H2 TIP3 720 -28.678 29.562 4.726 1.00 0.00 WT1 H ATOM 5218 OH2 TIP3 721 -4.394 -8.277 -6.268 1.00 0.00 WT1 O ATOM 5219 H1 TIP3 721 -27.359 4.526 -6.720 1.00 0.00 WT1 H ATOM 5220 H2 TIP3 721 14.623 3.657 9.982 1.00 0.00 WT1 H ATOM 5221 OH2 TIP3 722 -1.058 -0.931 -5.529 1.00 0.00 WT1 O ATOM 5222 H1 TIP3 722 -13.938 13.518 -4.689 1.00 0.00 WT1 H ATOM 5223 H2 TIP3 722 -5.426 3.599 -7.418 1.00 0.00 WT1 H ATOM 5224 OH2 TIP3 723 -2.834 1.145 4.611 1.00 0.00 WT1 O ATOM 5225 H1 TIP3 723 -4.712 -6.762 6.689 1.00 0.00 WT1 H ATOM 5226 H2 TIP3 723 -23.022 -0.659 -3.850 1.00 0.00 WT1 H ATOM 5227 OH2 TIP3 724 -8.384 0.306 2.874 1.00 0.00 WT1 O ATOM 5228 H1 TIP3 724 20.455 4.472 18.499 1.00 0.00 WT1 H ATOM 5229 H2 TIP3 724 -18.783 -27.719 -1.525 1.00 0.00 WT1 H ATOM 5230 OH2 TIP3 725 -6.322 -6.276 1.397 1.00 0.00 WT1 O ATOM 5231 H1 TIP3 725 -8.565 9.060 -0.942 1.00 0.00 WT1 H ATOM 5232 H2 TIP3 725 -6.995 -11.580 -3.263 1.00 0.00 WT1 H ATOM 5233 OH2 TIP3 726 -3.712 -0.288 -1.538 1.00 0.00 WT1 O ATOM 5234 H1 TIP3 726 0.408 -8.775 -11.747 1.00 0.00 WT1 H ATOM 5235 H2 TIP3 726 -5.011 -6.151 -10.044 1.00 0.00 WT1 H ATOM 5236 OH2 TIP3 728 0.097 4.931 -0.621 1.00 0.00 WT1 O ATOM 5237 H1 TIP3 728 11.073 -29.881 11.934 1.00 0.00 WT1 H ATOM 5238 H2 TIP3 728 -2.997 3.194 0.163 1.00 0.00 WT1 H ATOM 5239 OH2 TIP3 729 0.017 -0.965 -4.611 1.00 0.00 WT1 O ATOM 5240 H1 TIP3 729 0.916 -11.016 -5.007 1.00 0.00 WT1 H ATOM 5241 H2 TIP3 729 5.729 3.623 2.781 1.00 0.00 WT1 H ATOM 5242 OH2 TIP3 730 -5.587 -1.311 -0.654 1.00 0.00 WT1 O ATOM 5243 H1 TIP3 730 12.028 9.083 7.052 1.00 0.00 WT1 H ATOM 5244 H2 TIP3 730 -10.749 -7.329 -18.608 1.00 0.00 WT1 H ATOM 5245 OH2 TIP3 731 1.742 1.588 3.182 1.00 0.00 WT1 O ATOM 5246 H1 TIP3 731 23.644 3.431 -3.623 1.00 0.00 WT1 H ATOM 5247 H2 TIP3 731 -12.029 -3.372 -15.539 1.00 0.00 WT1 H ATOM 5248 OH2 TIP3 732 -0.605 0.946 4.260 1.00 0.00 WT1 O ATOM 5249 H1 TIP3 732 1.172 -4.455 5.621 1.00 0.00 WT1 H ATOM 5250 H2 TIP3 732 -14.987 0.486 11.117 1.00 0.00 WT1 H ATOM 5251 OH2 TIP3 733 1.757 1.014 2.653 1.00 0.00 WT1 O ATOM 5252 H1 TIP3 733 28.374 -1.271 17.464 1.00 0.00 WT1 H ATOM 5253 H2 TIP3 733 1.278 -4.887 -5.524 1.00 0.00 WT1 H ATOM 5254 OH2 TIP3 734 -0.670 -0.616 4.823 1.00 0.00 WT1 O ATOM 5255 H1 TIP3 734 -5.231 10.931 -9.485 1.00 0.00 WT1 H ATOM 5256 H2 TIP3 734 -8.887 22.361 5.552 1.00 0.00 WT1 H ATOM 5257 OH2 TIP3 735 -0.843 0.179 3.680 1.00 0.00 WT1 O ATOM 5258 H1 TIP3 735 1.497 23.202 -10.864 1.00 0.00 WT1 H ATOM 5259 H2 TIP3 735 11.225 6.999 -8.310 1.00 0.00 WT1 H ATOM 5260 OH2 TIP3 736 3.311 -4.367 -1.876 1.00 0.00 WT1 O ATOM 5261 H1 TIP3 736 7.236 1.331 -5.535 1.00 0.00 WT1 H ATOM 5262 H2 TIP3 736 -15.882 -39.256 5.391 1.00 0.00 WT1 H ATOM 5263 OH2 TIP3 737 0.765 -7.302 -0.647 1.00 0.00 WT1 O ATOM 5264 H1 TIP3 737 9.882 -2.415 -20.057 1.00 0.00 WT1 H ATOM 5265 H2 TIP3 737 2.870 12.078 12.189 1.00 0.00 WT1 H ATOM 5266 OH2 TIP3 738 -3.671 -3.591 1.998 1.00 0.00 WT1 O ATOM 5267 H1 TIP3 738 -0.473 -29.826 7.052 1.00 0.00 WT1 H ATOM 5268 H2 TIP3 738 -10.487 -0.223 17.403 1.00 0.00 WT1 H ATOM 5269 OH2 TIP3 739 -0.287 -0.533 1.026 1.00 0.00 WT1 O ATOM 5270 H1 TIP3 739 9.043 -1.833 1.662 1.00 0.00 WT1 H ATOM 5271 H2 TIP3 739 14.041 -3.112 -18.552 1.00 0.00 WT1 H ATOM 5272 OH2 TIP3 740 -4.543 1.724 3.577 1.00 0.00 WT1 O ATOM 5273 H1 TIP3 740 -6.602 -1.407 -1.544 1.00 0.00 WT1 H ATOM 5274 H2 TIP3 740 -7.635 -5.987 -9.731 1.00 0.00 WT1 H ATOM 5275 OH2 TIP3 741 0.290 -0.840 -2.266 1.00 0.00 WT1 O ATOM 5276 H1 TIP3 741 0.483 -22.764 -0.464 1.00 0.00 WT1 H ATOM 5277 H2 TIP3 741 2.530 2.160 12.215 1.00 0.00 WT1 H ATOM 5278 OH2 TIP3 742 4.451 8.038 -1.670 1.00 0.00 WT1 O ATOM 5279 H1 TIP3 742 -9.499 14.188 -13.346 1.00 0.00 WT1 H ATOM 5280 H2 TIP3 742 14.048 16.612 7.943 1.00 0.00 WT1 H ATOM 5281 OH2 TIP3 743 -3.095 3.152 2.571 1.00 0.00 WT1 O ATOM 5282 H1 TIP3 743 20.889 -3.278 -2.973 1.00 0.00 WT1 H ATOM 5283 H2 TIP3 743 11.122 -6.233 14.289 1.00 0.00 WT1 H ATOM 5284 OH2 TIP3 744 -1.435 -5.431 -4.496 1.00 0.00 WT1 O ATOM 5285 H1 TIP3 744 8.327 7.388 -7.233 1.00 0.00 WT1 H ATOM 5286 H2 TIP3 744 2.054 1.449 -15.245 1.00 0.00 WT1 H ATOM 5287 OH2 TIP3 745 -0.939 -9.291 2.623 1.00 0.00 WT1 O ATOM 5288 H1 TIP3 745 -1.967 -5.928 2.072 1.00 0.00 WT1 H ATOM 5289 H2 TIP3 745 -10.737 5.611 -28.294 1.00 0.00 WT1 H ATOM 5290 OH2 TIP3 746 -3.134 9.684 3.984 1.00 0.00 WT1 O ATOM 5291 H1 TIP3 746 -9.274 -1.923 9.688 1.00 0.00 WT1 H ATOM 5292 H2 TIP3 746 -10.533 18.241 6.482 1.00 0.00 WT1 H ATOM 5293 OH2 TIP3 747 -0.945 -2.312 2.503 1.00 0.00 WT1 O ATOM 5294 H1 TIP3 747 1.086 -13.542 -8.882 1.00 0.00 WT1 H ATOM 5295 H2 TIP3 747 -21.700 11.247 -5.009 1.00 0.00 WT1 H ATOM 5296 OH2 TIP3 748 -0.292 4.042 3.270 1.00 0.00 WT1 O ATOM 5297 H1 TIP3 748 3.982 7.401 6.267 1.00 0.00 WT1 H ATOM 5298 H2 TIP3 748 5.406 7.654 9.842 1.00 0.00 WT1 H ATOM 5299 OH2 TIP3 749 9.415 -0.469 2.591 1.00 0.00 WT1 O ATOM 5300 H1 TIP3 749 9.090 -3.396 20.214 1.00 0.00 WT1 H ATOM 5301 H2 TIP3 749 12.809 -2.007 -2.186 1.00 0.00 WT1 H ATOM 5302 OH2 TIP3 750 -3.449 -3.929 0.745 1.00 0.00 WT1 O ATOM 5303 H1 TIP3 750 -11.137 6.309 -5.086 1.00 0.00 WT1 H ATOM 5304 H2 TIP3 750 12.982 -16.052 10.327 1.00 0.00 WT1 H ATOM 5305 OH2 TIP3 751 -2.867 -0.918 0.761 1.00 0.00 WT1 O ATOM 5306 H1 TIP3 751 -3.970 0.132 0.014 1.00 0.00 WT1 H ATOM 5307 H2 TIP3 751 1.518 -3.117 2.763 1.00 0.00 WT1 H ATOM 5308 OH2 TIP3 752 3.434 5.750 5.886 1.00 0.00 WT1 O ATOM 5309 H1 TIP3 752 8.219 11.467 2.921 1.00 0.00 WT1 H ATOM 5310 H2 TIP3 752 -6.298 -9.281 15.118 1.00 0.00 WT1 H ATOM 5311 OH2 TIP3 753 -2.523 -10.434 1.657 1.00 0.00 WT1 O ATOM 5312 H1 TIP3 753 -14.937 9.610 15.538 1.00 0.00 WT1 H ATOM 5313 H2 TIP3 753 13.874 -35.261 -35.100 1.00 0.00 WT1 H ATOM 5314 OH2 TIP3 754 -6.760 -7.435 3.766 1.00 0.00 WT1 O ATOM 5315 H1 TIP3 754 7.110 -18.603 -1.630 1.00 0.00 WT1 H ATOM 5316 H2 TIP3 754 -10.042 -0.814 -11.306 1.00 0.00 WT1 H ATOM 5317 OH2 TIP3 755 3.700 -1.538 -4.280 1.00 0.00 WT1 O ATOM 5318 H1 TIP3 755 12.508 -16.264 -25.536 1.00 0.00 WT1 H ATOM 5319 H2 TIP3 755 -2.379 22.214 -13.814 1.00 0.00 WT1 H ATOM 5320 OH2 TIP3 756 -1.796 -3.184 -3.828 1.00 0.00 WT1 O ATOM 5321 H1 TIP3 756 3.086 11.801 -2.844 1.00 0.00 WT1 H ATOM 5322 H2 TIP3 756 -2.767 6.041 0.613 1.00 0.00 WT1 H ATOM 5323 OH2 TIP3 757 -2.478 -3.293 -4.778 1.00 0.00 WT1 O ATOM 5324 H1 TIP3 757 -6.984 -10.954 -22.172 1.00 0.00 WT1 H ATOM 5325 H2 TIP3 757 11.936 7.884 -2.671 1.00 0.00 WT1 H ATOM 5326 OH2 TIP3 758 -2.944 4.842 2.181 1.00 0.00 WT1 O ATOM 5327 H1 TIP3 758 15.657 2.019 0.166 1.00 0.00 WT1 H ATOM 5328 H2 TIP3 758 -17.428 -13.735 8.850 1.00 0.00 WT1 H ATOM 5329 OH2 TIP3 759 4.604 2.196 5.408 1.00 0.00 WT1 O ATOM 5330 H1 TIP3 759 -13.830 12.769 -2.175 1.00 0.00 WT1 H ATOM 5331 H2 TIP3 759 8.518 -4.449 16.827 1.00 0.00 WT1 H ATOM 5332 OH2 TIP3 760 -0.695 -1.415 -2.655 1.00 0.00 WT1 O ATOM 5333 H1 TIP3 760 6.113 -26.753 -8.666 1.00 0.00 WT1 H ATOM 5334 H2 TIP3 760 9.062 11.921 17.554 1.00 0.00 WT1 H ATOM 5335 OH2 TIP3 761 -8.965 -6.958 -3.379 1.00 0.00 WT1 O ATOM 5336 H1 TIP3 761 -3.144 0.794 -5.359 1.00 0.00 WT1 H ATOM 5337 H2 TIP3 761 18.995 18.455 -13.133 1.00 0.00 WT1 H ATOM 5338 OH2 TIP3 762 2.980 4.479 3.796 1.00 0.00 WT1 O ATOM 5339 H1 TIP3 762 6.307 -24.971 -9.362 1.00 0.00 WT1 H ATOM 5340 H2 TIP3 762 32.836 7.997 19.875 1.00 0.00 WT1 H ATOM 5341 OH2 TIP3 763 7.676 -0.946 7.261 1.00 0.00 WT1 O ATOM 5342 H1 TIP3 763 -14.348 -14.152 16.139 1.00 0.00 WT1 H ATOM 5343 H2 TIP3 763 -19.123 -10.360 17.838 1.00 0.00 WT1 H ATOM 5344 OH2 TIP3 764 -3.671 3.686 -3.015 1.00 0.00 WT1 O ATOM 5345 H1 TIP3 764 -19.487 6.860 18.596 1.00 0.00 WT1 H ATOM 5346 H2 TIP3 764 -7.596 19.509 -4.445 1.00 0.00 WT1 H ATOM 5347 OH2 TIP3 765 -9.185 13.793 -2.304 1.00 0.00 WT1 O ATOM 5348 H1 TIP3 765 -11.108 14.100 -0.268 1.00 0.00 WT1 H ATOM 5349 H2 TIP3 765 12.610 0.874 4.777 1.00 0.00 WT1 H ATOM 5350 OH2 TIP3 766 -2.299 3.742 14.341 1.00 0.00 WT1 O ATOM 5351 H1 TIP3 766 -11.322 -17.996 10.759 1.00 0.00 WT1 H ATOM 5352 H2 TIP3 766 -15.285 -43.773 16.041 1.00 0.00 WT1 H ATOM 5353 OH2 TIP3 767 5.304 0.804 -0.858 1.00 0.00 WT1 O ATOM 5354 H1 TIP3 767 20.670 10.313 -5.907 1.00 0.00 WT1 H ATOM 5355 H2 TIP3 767 15.246 6.057 -3.520 1.00 0.00 WT1 H ATOM 5356 OH2 TIP3 768 -2.898 0.667 5.468 1.00 0.00 WT1 O ATOM 5357 H1 TIP3 768 -11.202 4.103 3.408 1.00 0.00 WT1 H ATOM 5358 H2 TIP3 768 8.418 8.233 6.152 1.00 0.00 WT1 H ATOM 5359 OH2 TIP3 769 3.302 0.890 -3.349 1.00 0.00 WT1 O ATOM 5360 H1 TIP3 769 -4.405 1.313 -4.432 1.00 0.00 WT1 H ATOM 5361 H2 TIP3 769 -8.664 2.361 -8.012 1.00 0.00 WT1 H ATOM 5362 OH2 TIP3 770 5.929 -1.306 -1.602 1.00 0.00 WT1 O ATOM 5363 H1 TIP3 770 21.434 -10.368 -14.084 1.00 0.00 WT1 H ATOM 5364 H2 TIP3 770 0.200 13.075 -0.318 1.00 0.00 WT1 H ATOM 5365 OH2 TIP3 771 2.515 -1.281 -1.652 1.00 0.00 WT1 O ATOM 5366 H1 TIP3 771 -1.886 10.947 15.659 1.00 0.00 WT1 H ATOM 5367 H2 TIP3 771 12.180 -3.761 -4.544 1.00 0.00 WT1 H ATOM 5368 OH2 TIP3 772 -7.355 -1.499 2.625 1.00 0.00 WT1 O ATOM 5369 H1 TIP3 772 -1.859 7.457 2.361 1.00 0.00 WT1 H ATOM 5370 H2 TIP3 772 -6.552 4.034 5.017 1.00 0.00 WT1 H ATOM 5371 OH2 TIP3 773 -1.648 -2.853 -2.899 1.00 0.00 WT1 O ATOM 5372 H1 TIP3 773 -7.463 22.432 -20.570 1.00 0.00 WT1 H ATOM 5373 H2 TIP3 773 -23.485 0.257 -2.938 1.00 0.00 WT1 H ATOM 5374 OH2 TIP3 774 8.855 0.544 4.012 1.00 0.00 WT1 O ATOM 5375 H1 TIP3 774 24.929 -8.474 8.295 1.00 0.00 WT1 H ATOM 5376 H2 TIP3 774 10.533 1.840 -8.865 1.00 0.00 WT1 H ATOM 5377 OH2 TIP3 775 4.852 1.402 1.642 1.00 0.00 WT1 O ATOM 5378 H1 TIP3 775 7.082 -10.162 -15.322 1.00 0.00 WT1 H ATOM 5379 H2 TIP3 775 26.180 -3.572 11.635 1.00 0.00 WT1 H ATOM 5380 OH2 TIP3 776 -5.242 1.877 4.873 1.00 0.00 WT1 O ATOM 5381 H1 TIP3 776 -10.508 -5.413 2.132 1.00 0.00 WT1 H ATOM 5382 H2 TIP3 776 -30.849 -17.569 1.701 1.00 0.00 WT1 H ATOM 5383 OH2 TIP3 777 -4.837 -0.343 -3.113 1.00 0.00 WT1 O ATOM 5384 H1 TIP3 777 2.990 0.842 -4.388 1.00 0.00 WT1 H ATOM 5385 H2 TIP3 777 -19.116 12.716 -2.362 1.00 0.00 WT1 H ATOM 5386 OH2 TIP3 778 -2.668 0.560 1.518 1.00 0.00 WT1 O ATOM 5387 H1 TIP3 778 14.821 13.169 0.055 1.00 0.00 WT1 H ATOM 5388 H2 TIP3 778 -12.132 -1.780 0.713 1.00 0.00 WT1 H ATOM 5389 OH2 TIP3 780 -3.367 -1.713 1.327 1.00 0.00 WT1 O ATOM 5390 H1 TIP3 780 5.389 3.263 -3.407 1.00 0.00 WT1 H ATOM 5391 H2 TIP3 780 -0.062 18.624 -0.955 1.00 0.00 WT1 H ATOM 5392 OH2 TIP3 781 1.649 -2.660 4.548 1.00 0.00 WT1 O ATOM 5393 H1 TIP3 781 0.961 -3.573 1.214 1.00 0.00 WT1 H ATOM 5394 H2 TIP3 781 -10.566 26.773 17.605 1.00 0.00 WT1 H ATOM 5395 OH2 TIP3 782 -1.402 -3.327 1.458 1.00 0.00 WT1 O ATOM 5396 H1 TIP3 782 -1.954 16.556 0.700 1.00 0.00 WT1 H ATOM 5397 H2 TIP3 782 -1.443 25.057 1.781 1.00 0.00 WT1 H ATOM 5398 OH2 TIP3 783 -2.365 5.436 -5.101 1.00 0.00 WT1 O ATOM 5399 H1 TIP3 783 1.676 5.093 -6.511 1.00 0.00 WT1 H ATOM 5400 H2 TIP3 783 5.241 1.986 -11.497 1.00 0.00 WT1 H ATOM 5401 OH2 TIP3 784 4.699 0.672 -0.753 1.00 0.00 WT1 O ATOM 5402 H1 TIP3 784 0.524 -10.777 11.190 1.00 0.00 WT1 H ATOM 5403 H2 TIP3 784 -12.272 -3.980 10.835 1.00 0.00 WT1 H ATOM 5404 OH2 TIP3 785 2.150 3.977 -5.545 1.00 0.00 WT1 O ATOM 5405 H1 TIP3 785 -14.015 -10.776 -8.635 1.00 0.00 WT1 H ATOM 5406 H2 TIP3 785 -2.244 14.149 -29.456 1.00 0.00 WT1 H ATOM 5407 OH2 TIP3 786 4.825 -0.729 1.585 1.00 0.00 WT1 O ATOM 5408 H1 TIP3 786 10.254 3.823 -0.873 1.00 0.00 WT1 H ATOM 5409 H2 TIP3 786 9.822 -7.910 -2.481 1.00 0.00 WT1 H ATOM 5410 OH2 TIP3 787 3.758 -6.577 -0.228 1.00 0.00 WT1 O ATOM 5411 H1 TIP3 787 -20.325 -8.184 6.003 1.00 0.00 WT1 H ATOM 5412 H2 TIP3 787 -14.845 -9.010 -17.487 1.00 0.00 WT1 H ATOM 5413 OH2 TIP3 788 -1.673 2.624 1.281 1.00 0.00 WT1 O ATOM 5414 H1 TIP3 788 -6.825 4.480 -5.245 1.00 0.00 WT1 H ATOM 5415 H2 TIP3 788 -13.644 17.545 12.440 1.00 0.00 WT1 H ATOM 5416 OH2 TIP3 789 0.972 -3.464 4.372 1.00 0.00 WT1 O ATOM 5417 H1 TIP3 789 1.281 -9.704 -5.555 1.00 0.00 WT1 H ATOM 5418 H2 TIP3 789 -4.529 -5.768 16.298 1.00 0.00 WT1 H ATOM 5419 OH2 TIP3 790 1.855 7.915 0.311 1.00 0.00 WT1 O ATOM 5420 H1 TIP3 790 6.086 1.810 -8.539 1.00 0.00 WT1 H ATOM 5421 H2 TIP3 790 -9.549 12.483 -3.914 1.00 0.00 WT1 H ATOM 5422 OH2 TIP3 791 0.720 8.760 5.900 1.00 0.00 WT1 O ATOM 5423 H1 TIP3 791 7.910 10.220 -3.068 1.00 0.00 WT1 H ATOM 5424 H2 TIP3 791 -4.254 6.196 5.298 1.00 0.00 WT1 H ATOM 5425 OH2 TIP3 792 -4.066 1.630 -0.110 1.00 0.00 WT1 O ATOM 5426 H1 TIP3 792 -3.911 1.161 -0.998 1.00 0.00 WT1 H ATOM 5427 H2 TIP3 792 -8.729 11.441 0.462 1.00 0.00 WT1 H ATOM 5428 OH2 TIP3 793 2.800 7.377 1.078 1.00 0.00 WT1 O ATOM 5429 H1 TIP3 793 5.072 -12.590 3.709 1.00 0.00 WT1 H ATOM 5430 H2 TIP3 793 -1.694 -5.760 -0.350 1.00 0.00 WT1 H ATOM 5431 OH2 TIP3 794 -1.449 1.783 -3.583 1.00 0.00 WT1 O ATOM 5432 H1 TIP3 794 7.065 -5.327 25.970 1.00 0.00 WT1 H ATOM 5433 H2 TIP3 794 -0.071 0.739 1.338 1.00 0.00 WT1 H ATOM 5434 OH2 TIP3 795 -4.605 1.097 -5.565 1.00 0.00 WT1 O ATOM 5435 H1 TIP3 795 -8.770 1.484 -2.215 1.00 0.00 WT1 H ATOM 5436 H2 TIP3 795 -5.471 -1.382 -6.201 1.00 0.00 WT1 H ATOM 5437 OH2 TIP3 796 6.301 0.892 3.421 1.00 0.00 WT1 O ATOM 5438 H1 TIP3 796 -1.755 -13.335 -3.660 1.00 0.00 WT1 H ATOM 5439 H2 TIP3 796 5.140 -0.536 2.773 1.00 0.00 WT1 H ATOM 5440 OH2 TIP3 797 0.328 4.636 -2.092 1.00 0.00 WT1 O ATOM 5441 H1 TIP3 797 -10.999 18.297 -0.541 1.00 0.00 WT1 H ATOM 5442 H2 TIP3 797 20.469 -12.284 -54.110 1.00 0.00 WT1 H ATOM 5443 OH2 TIP3 798 0.462 -0.967 -0.245 1.00 0.00 WT1 O ATOM 5444 H1 TIP3 798 6.719 12.533 -16.146 1.00 0.00 WT1 H ATOM 5445 H2 TIP3 798 10.722 -18.799 -4.849 1.00 0.00 WT1 H ATOM 5446 OH2 TIP3 800 -5.997 -2.362 -1.546 1.00 0.00 WT1 O ATOM 5447 H1 TIP3 800 11.071 -12.129 4.365 1.00 0.00 WT1 H ATOM 5448 H2 TIP3 800 0.246 15.213 -13.406 1.00 0.00 WT1 H ATOM 5449 OH2 TIP3 801 -7.597 2.583 -3.048 1.00 0.00 WT1 O ATOM 5450 H1 TIP3 801 -15.453 -3.786 -18.633 1.00 0.00 WT1 H ATOM 5451 H2 TIP3 801 -0.990 2.348 8.726 1.00 0.00 WT1 H ATOM 5452 OH2 TIP3 802 -1.002 -4.954 -4.057 1.00 0.00 WT1 O ATOM 5453 H1 TIP3 802 -7.224 2.539 -6.529 1.00 0.00 WT1 H ATOM 5454 H2 TIP3 802 3.236 -13.048 -9.489 1.00 0.00 WT1 H ATOM 5455 OH2 TIP3 803 -1.787 -4.826 3.469 1.00 0.00 WT1 O ATOM 5456 H1 TIP3 803 -2.891 -4.250 8.521 1.00 0.00 WT1 H ATOM 5457 H2 TIP3 803 -8.921 11.776 -23.395 1.00 0.00 WT1 H ATOM 5458 OH2 TIP3 804 -5.424 2.839 1.252 1.00 0.00 WT1 O ATOM 5459 H1 TIP3 804 6.058 4.344 0.496 1.00 0.00 WT1 H ATOM 5460 H2 TIP3 804 -5.650 4.398 13.237 1.00 0.00 WT1 H ATOM 5461 OH2 TIP3 805 -5.064 -3.775 -5.351 1.00 0.00 WT1 O ATOM 5462 H1 TIP3 805 -1.691 -16.812 -1.162 1.00 0.00 WT1 H ATOM 5463 H2 TIP3 805 -14.775 14.678 -6.470 1.00 0.00 WT1 H ATOM 5464 OH2 TIP3 806 -1.771 -1.373 2.804 1.00 0.00 WT1 O ATOM 5465 H1 TIP3 806 13.064 -12.679 -2.564 1.00 0.00 WT1 H ATOM 5466 H2 TIP3 806 10.689 -25.928 -10.554 1.00 0.00 WT1 H ATOM 5467 OH2 TIP3 807 1.646 4.059 0.412 1.00 0.00 WT1 O ATOM 5468 H1 TIP3 807 -5.531 -2.995 0.713 1.00 0.00 WT1 H ATOM 5469 H2 TIP3 807 14.639 -3.114 -6.804 1.00 0.00 WT1 H ATOM 5470 OH2 TIP3 808 -0.052 -5.713 0.030 1.00 0.00 WT1 O ATOM 5471 H1 TIP3 808 -14.682 10.673 0.247 1.00 0.00 WT1 H ATOM 5472 H2 TIP3 808 4.995 -9.652 17.724 1.00 0.00 WT1 H ATOM 5473 OH2 TIP3 809 -1.951 5.206 1.337 1.00 0.00 WT1 O ATOM 5474 H1 TIP3 809 12.576 -18.880 21.770 1.00 0.00 WT1 H ATOM 5475 H2 TIP3 809 4.378 -5.511 9.070 1.00 0.00 WT1 H ATOM 5476 OH2 TIP3 810 4.227 3.236 8.425 1.00 0.00 WT1 O ATOM 5477 H1 TIP3 810 24.348 -10.995 28.447 1.00 0.00 WT1 H ATOM 5478 H2 TIP3 810 -11.508 11.618 -25.043 1.00 0.00 WT1 H ATOM 5479 OH2 TIP3 812 -6.011 1.260 3.648 1.00 0.00 WT1 O ATOM 5480 H1 TIP3 812 -14.433 32.490 11.077 1.00 0.00 WT1 H ATOM 5481 H2 TIP3 812 -19.958 -18.989 -2.309 1.00 0.00 WT1 H ATOM 5482 OH2 TIP3 813 -2.909 6.384 -3.095 1.00 0.00 WT1 O ATOM 5483 H1 TIP3 813 -0.032 -14.159 13.948 1.00 0.00 WT1 H ATOM 5484 H2 TIP3 813 -2.098 9.248 -5.996 1.00 0.00 WT1 H ATOM 5485 OH2 TIP3 814 0.690 0.683 -3.494 1.00 0.00 WT1 O ATOM 5486 H1 TIP3 814 -17.867 -0.906 -6.587 1.00 0.00 WT1 H ATOM 5487 H2 TIP3 814 -10.571 -3.137 -5.425 1.00 0.00 WT1 H ATOM 5488 OH2 TIP3 815 0.241 2.059 4.675 1.00 0.00 WT1 O ATOM 5489 H1 TIP3 815 -1.890 18.143 -7.324 1.00 0.00 WT1 H ATOM 5490 H2 TIP3 815 -23.969 -3.555 11.326 1.00 0.00 WT1 H ATOM 5491 OH2 TIP3 816 0.590 1.318 -1.626 1.00 0.00 WT1 O ATOM 5492 H1 TIP3 816 7.402 7.646 -8.274 1.00 0.00 WT1 H ATOM 5493 H2 TIP3 816 -10.823 7.207 16.213 1.00 0.00 WT1 H ATOM 5494 OH2 TIP3 817 -1.869 1.065 -1.852 1.00 0.00 WT1 O ATOM 5495 H1 TIP3 817 -19.569 4.579 6.836 1.00 0.00 WT1 H ATOM 5496 H2 TIP3 817 10.650 14.655 6.682 1.00 0.00 WT1 H ATOM 5497 OH2 TIP3 818 -2.287 -1.710 -2.226 1.00 0.00 WT1 O ATOM 5498 H1 TIP3 818 3.064 -5.755 -8.156 1.00 0.00 WT1 H ATOM 5499 H2 TIP3 818 1.487 -1.431 4.997 1.00 0.00 WT1 H ATOM 5500 OH2 TIP3 819 7.100 -3.004 -1.752 1.00 0.00 WT1 O ATOM 5501 H1 TIP3 819 0.906 10.528 -0.775 1.00 0.00 WT1 H ATOM 5502 H2 TIP3 819 10.773 -4.727 26.245 1.00 0.00 WT1 H ATOM 5503 OH2 TIP3 820 -9.447 4.157 2.877 1.00 0.00 WT1 O ATOM 5504 H1 TIP3 820 12.575 -1.104 -20.758 1.00 0.00 WT1 H ATOM 5505 H2 TIP3 820 -8.279 20.317 26.581 1.00 0.00 WT1 H ATOM 5506 OH2 TIP3 821 8.051 1.728 8.393 1.00 0.00 WT1 O ATOM 5507 H1 TIP3 821 14.363 -2.332 4.219 1.00 0.00 WT1 H ATOM 5508 H2 TIP3 821 2.041 -1.165 6.009 1.00 0.00 WT1 H ATOM 5509 OH2 TIP3 822 0.478 3.303 -1.589 1.00 0.00 WT1 O ATOM 5510 H1 TIP3 822 -5.052 -3.608 28.509 1.00 0.00 WT1 H ATOM 5511 H2 TIP3 822 1.986 5.370 -10.061 1.00 0.00 WT1 H ATOM 5512 OH2 TIP3 823 2.417 3.404 4.970 1.00 0.00 WT1 O ATOM 5513 H1 TIP3 823 -3.360 -11.046 -18.132 1.00 0.00 WT1 H ATOM 5514 H2 TIP3 823 11.090 2.359 24.677 1.00 0.00 WT1 H ATOM 5515 OH2 TIP3 824 2.143 -7.603 -2.242 1.00 0.00 WT1 O ATOM 5516 H1 TIP3 824 14.233 3.926 0.144 1.00 0.00 WT1 H ATOM 5517 H2 TIP3 824 12.193 4.240 8.195 1.00 0.00 WT1 H ATOM 5518 OH2 TIP3 825 -4.496 -4.217 -2.854 1.00 0.00 WT1 O ATOM 5519 H1 TIP3 825 -7.653 -1.242 -3.806 1.00 0.00 WT1 H ATOM 5520 H2 TIP3 825 -4.302 1.197 -13.653 1.00 0.00 WT1 H ATOM 5521 OH2 TIP3 826 -0.674 8.939 3.362 1.00 0.00 WT1 O ATOM 5522 H1 TIP3 826 -4.135 23.907 4.621 1.00 0.00 WT1 H ATOM 5523 H2 TIP3 826 -4.005 28.661 5.996 1.00 0.00 WT1 H ATOM 5524 OH2 TIP3 827 4.666 1.654 -5.267 1.00 0.00 WT1 O ATOM 5525 H1 TIP3 827 0.401 9.356 -9.071 1.00 0.00 WT1 H ATOM 5526 H2 TIP3 827 0.601 4.651 -3.585 1.00 0.00 WT1 H ATOM 5527 OH2 TIP3 828 2.962 9.517 -0.579 1.00 0.00 WT1 O ATOM 5528 H1 TIP3 828 -8.677 1.052 3.694 1.00 0.00 WT1 H ATOM 5529 H2 TIP3 828 12.324 8.523 -4.792 1.00 0.00 WT1 H ATOM 5530 OH2 TIP3 829 1.216 -1.218 0.596 1.00 0.00 WT1 O ATOM 5531 H1 TIP3 829 11.063 10.926 3.104 1.00 0.00 WT1 H ATOM 5532 H2 TIP3 829 -25.108 -7.103 6.984 1.00 0.00 WT1 H ATOM 5533 OH2 TIP3 830 -3.432 -7.165 5.933 1.00 0.00 WT1 O ATOM 5534 H1 TIP3 830 6.527 -11.008 6.835 1.00 0.00 WT1 H ATOM 5535 H2 TIP3 830 -2.322 -3.716 -4.589 1.00 0.00 WT1 H ATOM 5536 OH2 TIP3 831 1.379 -7.120 -2.904 1.00 0.00 WT1 O ATOM 5537 H1 TIP3 831 -0.189 2.808 -0.432 1.00 0.00 WT1 H ATOM 5538 H2 TIP3 831 14.270 -2.301 -11.432 1.00 0.00 WT1 H ATOM 5539 OH2 TIP3 832 3.960 -7.039 -2.658 1.00 0.00 WT1 O ATOM 5540 H1 TIP3 832 6.292 -8.473 -1.713 1.00 0.00 WT1 H ATOM 5541 H2 TIP3 832 -21.866 34.809 -38.795 1.00 0.00 WT1 H ATOM 5542 OH2 TIP3 833 1.338 -2.086 -4.483 1.00 0.00 WT1 O ATOM 5543 H1 TIP3 833 2.585 -14.430 -5.115 1.00 0.00 WT1 H ATOM 5544 H2 TIP3 833 16.811 -9.540 -6.844 1.00 0.00 WT1 H ATOM 5545 OH2 TIP3 834 1.627 3.967 -3.523 1.00 0.00 WT1 O ATOM 5546 H1 TIP3 834 5.031 -4.656 -4.488 1.00 0.00 WT1 H ATOM 5547 H2 TIP3 834 10.292 -0.741 -5.475 1.00 0.00 WT1 H ATOM 5548 OH2 TIP3 835 3.769 -1.035 -5.445 1.00 0.00 WT1 O ATOM 5549 H1 TIP3 835 9.719 4.753 3.556 1.00 0.00 WT1 H ATOM 5550 H2 TIP3 835 0.931 -5.679 -14.560 1.00 0.00 WT1 H ATOM 5551 OH2 TIP3 836 -1.344 5.713 2.439 1.00 0.00 WT1 O ATOM 5552 H1 TIP3 836 22.935 -6.916 -4.240 1.00 0.00 WT1 H ATOM 5553 H2 TIP3 836 -16.295 28.272 -4.313 1.00 0.00 WT1 H ATOM 5554 OH2 TIP3 837 1.596 -3.975 5.539 1.00 0.00 WT1 O ATOM 5555 H1 TIP3 837 24.650 -21.991 -2.614 1.00 0.00 WT1 H ATOM 5556 H2 TIP3 837 -0.997 -2.262 6.058 1.00 0.00 WT1 H ATOM 5557 OH2 TIP3 838 -3.428 -8.786 -3.482 1.00 0.00 WT1 O ATOM 5558 H1 TIP3 838 11.983 23.964 -18.406 1.00 0.00 WT1 H ATOM 5559 H2 TIP3 838 -0.520 13.161 -4.275 1.00 0.00 WT1 H ATOM 5560 OH2 TIP3 839 3.645 -7.599 -6.090 1.00 0.00 WT1 O ATOM 5561 H1 TIP3 839 -3.090 -2.558 13.220 1.00 0.00 WT1 H ATOM 5562 H2 TIP3 839 6.189 -11.180 -7.221 1.00 0.00 WT1 H ATOM 5563 OH2 TIP3 840 5.577 2.970 1.996 1.00 0.00 WT1 O ATOM 5564 H1 TIP3 840 14.932 10.043 12.892 1.00 0.00 WT1 H ATOM 5565 H2 TIP3 840 -6.972 -6.531 -10.483 1.00 0.00 WT1 H ATOM 5566 OH2 TIP3 841 6.071 3.329 -5.211 1.00 0.00 WT1 O ATOM 5567 H1 TIP3 841 -9.338 12.779 22.370 1.00 0.00 WT1 H ATOM 5568 H2 TIP3 841 -6.495 -12.443 -13.036 1.00 0.00 WT1 H ATOM 5569 OH2 TIP3 842 -6.700 -3.554 4.534 1.00 0.00 WT1 O ATOM 5570 H1 TIP3 842 31.691 -20.505 -25.103 1.00 0.00 WT1 H ATOM 5571 H2 TIP3 842 14.097 0.444 20.104 1.00 0.00 WT1 H ATOM 5572 OH2 TIP3 843 -2.887 -1.597 3.511 1.00 0.00 WT1 O ATOM 5573 H1 TIP3 843 -5.998 -14.042 5.210 1.00 0.00 WT1 H ATOM 5574 H2 TIP3 843 0.814 -2.505 -10.684 1.00 0.00 WT1 H ATOM 5575 OH2 TIP3 844 1.544 1.273 -2.929 1.00 0.00 WT1 O ATOM 5576 H1 TIP3 844 8.365 6.694 2.507 1.00 0.00 WT1 H ATOM 5577 H2 TIP3 844 3.240 -9.250 -19.262 1.00 0.00 WT1 H ATOM 5578 OH2 TIP3 845 -8.010 5.033 4.210 1.00 0.00 WT1 O ATOM 5579 H1 TIP3 845 3.851 10.178 -3.144 1.00 0.00 WT1 H ATOM 5580 H2 TIP3 845 -10.233 -2.403 10.003 1.00 0.00 WT1 H ATOM 5581 OH2 TIP3 846 -2.853 9.233 1.020 1.00 0.00 WT1 O ATOM 5582 H1 TIP3 846 1.652 -4.877 -8.282 1.00 0.00 WT1 H ATOM 5583 H2 TIP3 846 10.725 -11.760 -5.415 1.00 0.00 WT1 H ATOM 5584 OH2 TIP3 847 7.009 4.709 2.616 1.00 0.00 WT1 O ATOM 5585 H1 TIP3 847 5.470 1.340 -9.453 1.00 0.00 WT1 H ATOM 5586 H2 TIP3 847 14.129 0.586 -7.462 1.00 0.00 WT1 H ATOM 5587 OH2 TIP3 848 -2.129 -5.842 -4.169 1.00 0.00 WT1 O ATOM 5588 H1 TIP3 848 -19.070 1.777 0.133 1.00 0.00 WT1 H ATOM 5589 H2 TIP3 848 -30.367 9.744 -26.813 1.00 0.00 WT1 H ATOM 5590 OH2 TIP3 849 -2.930 0.487 -3.379 1.00 0.00 WT1 O ATOM 5591 H1 TIP3 849 -3.732 2.392 -4.316 1.00 0.00 WT1 H ATOM 5592 H2 TIP3 849 6.139 -10.441 2.306 1.00 0.00 WT1 H ATOM 5593 OH2 TIP3 850 1.636 2.511 -2.058 1.00 0.00 WT1 O ATOM 5594 H1 TIP3 850 1.404 -5.702 -16.011 1.00 0.00 WT1 H ATOM 5595 H2 TIP3 850 2.675 -3.249 -12.754 1.00 0.00 WT1 H ATOM 5596 OH2 TIP3 851 4.648 3.121 -4.503 1.00 0.00 WT1 O ATOM 5597 H1 TIP3 851 7.167 2.060 -15.705 1.00 0.00 WT1 H ATOM 5598 H2 TIP3 851 -5.671 -2.910 -4.275 1.00 0.00 WT1 H ATOM 5599 OH2 TIP3 852 -5.162 -3.627 -0.340 1.00 0.00 WT1 O ATOM 5600 H1 TIP3 852 -1.489 -3.142 13.266 1.00 0.00 WT1 H ATOM 5601 H2 TIP3 852 -2.155 4.629 -0.790 1.00 0.00 WT1 H ATOM 5602 OH2 TIP3 853 -3.477 -0.336 -2.635 1.00 0.00 WT1 O ATOM 5603 H1 TIP3 853 -5.661 -2.884 -3.680 1.00 0.00 WT1 H ATOM 5604 H2 TIP3 853 -1.715 -5.262 3.174 1.00 0.00 WT1 H ATOM 5605 OH2 TIP3 854 1.407 -3.454 -1.914 1.00 0.00 WT1 O ATOM 5606 H1 TIP3 854 -7.289 -6.469 -3.679 1.00 0.00 WT1 H ATOM 5607 H2 TIP3 854 1.218 -7.506 0.767 1.00 0.00 WT1 H ATOM 5608 OH2 TIP3 855 0.489 4.698 2.354 1.00 0.00 WT1 O ATOM 5609 H1 TIP3 855 -30.351 13.471 -2.596 1.00 0.00 WT1 H ATOM 5610 H2 TIP3 855 -3.788 4.827 4.002 1.00 0.00 WT1 H ATOM 5611 OH2 TIP3 856 6.107 0.009 4.438 1.00 0.00 WT1 O ATOM 5612 H1 TIP3 856 15.571 30.889 17.118 1.00 0.00 WT1 H ATOM 5613 H2 TIP3 856 5.440 -15.425 8.966 1.00 0.00 WT1 H ATOM 5614 OH2 TIP3 857 3.867 -1.814 -6.202 1.00 0.00 WT1 O ATOM 5615 H1 TIP3 857 4.001 -3.512 -0.994 1.00 0.00 WT1 H ATOM 5616 H2 TIP3 857 -5.370 -2.106 -21.118 1.00 0.00 WT1 H ATOM 5617 OH2 TIP3 858 -2.175 0.187 -4.236 1.00 0.00 WT1 O ATOM 5618 H1 TIP3 858 16.468 -16.165 11.429 1.00 0.00 WT1 H ATOM 5619 H2 TIP3 858 -14.569 6.918 7.400 1.00 0.00 WT1 H ATOM 5620 OH2 TIP3 859 2.791 1.417 -0.932 1.00 0.00 WT1 O ATOM 5621 H1 TIP3 859 1.747 14.057 3.057 1.00 0.00 WT1 H ATOM 5622 H2 TIP3 859 -22.053 3.955 -3.301 1.00 0.00 WT1 H ATOM 5623 OH2 TIP3 860 1.511 6.877 1.334 1.00 0.00 WT1 O ATOM 5624 H1 TIP3 860 34.490 -4.463 -5.673 1.00 0.00 WT1 H ATOM 5625 H2 TIP3 860 0.007 30.310 24.618 1.00 0.00 WT1 H ATOM 5626 OH2 TIP3 861 -7.955 9.043 0.941 1.00 0.00 WT1 O ATOM 5627 H1 TIP3 861 7.450 -9.688 -3.146 1.00 0.00 WT1 H ATOM 5628 H2 TIP3 861 8.002 -5.273 -5.324 1.00 0.00 WT1 H ATOM 5629 OH2 TIP3 862 0.001 5.866 -1.798 1.00 0.00 WT1 O ATOM 5630 H1 TIP3 862 2.463 -14.447 4.866 1.00 0.00 WT1 H ATOM 5631 H2 TIP3 862 3.832 28.805 6.221 1.00 0.00 WT1 H ATOM 5632 OH2 TIP3 863 4.048 3.505 2.310 1.00 0.00 WT1 O ATOM 5633 H1 TIP3 863 16.497 -19.317 5.833 1.00 0.00 WT1 H ATOM 5634 H2 TIP3 863 -10.135 -9.566 3.110 1.00 0.00 WT1 H ATOM 5635 OH2 TIP3 864 6.565 2.821 5.906 1.00 0.00 WT1 O ATOM 5636 H1 TIP3 864 -14.845 -4.440 8.166 1.00 0.00 WT1 H ATOM 5637 H2 TIP3 864 -14.079 19.031 -13.274 1.00 0.00 WT1 H ATOM 5638 OH2 TIP3 865 -2.510 4.609 3.448 1.00 0.00 WT1 O ATOM 5639 H1 TIP3 865 12.198 10.047 -18.677 1.00 0.00 WT1 H ATOM 5640 H2 TIP3 865 -6.738 -16.292 30.598 1.00 0.00 WT1 H ATOM 5641 OH2 TIP3 866 0.295 0.221 6.161 1.00 0.00 WT1 O ATOM 5642 H1 TIP3 866 15.684 -18.263 12.941 1.00 0.00 WT1 H ATOM 5643 H2 TIP3 866 12.384 5.340 15.636 1.00 0.00 WT1 H ATOM 5644 OH2 TIP3 867 -5.010 1.327 -1.873 1.00 0.00 WT1 O ATOM 5645 H1 TIP3 867 -21.861 -10.333 15.270 1.00 0.00 WT1 H ATOM 5646 H2 TIP3 867 3.199 -20.239 -14.632 1.00 0.00 WT1 H ATOM 5647 OH2 TIP3 869 -0.535 0.159 3.077 1.00 0.00 WT1 O ATOM 5648 H1 TIP3 869 7.683 6.831 8.988 1.00 0.00 WT1 H ATOM 5649 H2 TIP3 869 -33.495 7.045 9.888 1.00 0.00 WT1 H ATOM 5650 OH2 TIP3 870 -2.315 3.625 -1.032 1.00 0.00 WT1 O ATOM 5651 H1 TIP3 870 0.963 -2.571 -11.121 1.00 0.00 WT1 H ATOM 5652 H2 TIP3 870 -1.481 0.998 -5.264 1.00 0.00 WT1 H ATOM 5653 OH2 TIP3 871 0.011 2.997 -1.962 1.00 0.00 WT1 O ATOM 5654 H1 TIP3 871 5.094 -2.136 1.345 1.00 0.00 WT1 H ATOM 5655 H2 TIP3 871 1.473 -3.484 -1.896 1.00 0.00 WT1 H ATOM 5656 OH2 TIP3 872 2.128 -1.156 4.870 1.00 0.00 WT1 O ATOM 5657 H1 TIP3 872 3.608 11.546 -9.412 1.00 0.00 WT1 H ATOM 5658 H2 TIP3 872 0.214 -3.647 2.588 1.00 0.00 WT1 H ATOM 5659 OH2 TIP3 873 -2.994 -6.232 5.279 1.00 0.00 WT1 O ATOM 5660 H1 TIP3 873 -5.004 -8.912 5.439 1.00 0.00 WT1 H ATOM 5661 H2 TIP3 873 4.472 21.217 -8.638 1.00 0.00 WT1 H ATOM 5662 OH2 TIP3 874 -1.606 1.948 3.519 1.00 0.00 WT1 O ATOM 5663 H1 TIP3 874 8.612 -0.645 -9.232 1.00 0.00 WT1 H ATOM 5664 H2 TIP3 874 -18.545 6.745 -3.394 1.00 0.00 WT1 H ATOM 5665 OH2 TIP3 875 -2.917 -0.134 1.858 1.00 0.00 WT1 O ATOM 5666 H1 TIP3 875 16.310 -30.797 -5.671 1.00 0.00 WT1 H ATOM 5667 H2 TIP3 875 4.878 2.394 -23.980 1.00 0.00 WT1 H ATOM 5668 OH2 TIP3 876 -2.830 -2.007 4.832 1.00 0.00 WT1 O ATOM 5669 H1 TIP3 876 -14.061 5.576 10.270 1.00 0.00 WT1 H ATOM 5670 H2 TIP3 876 11.400 1.742 9.071 1.00 0.00 WT1 H ATOM 5671 OH2 TIP3 877 3.244 -7.230 5.501 1.00 0.00 WT1 O ATOM 5672 H1 TIP3 877 -6.100 -23.448 12.968 1.00 0.00 WT1 H ATOM 5673 H2 TIP3 877 11.689 -14.506 -1.770 1.00 0.00 WT1 H ATOM 5674 OH2 TIP3 878 -5.637 -3.666 -5.088 1.00 0.00 WT1 O ATOM 5675 H1 TIP3 878 -10.925 -16.226 -20.841 1.00 0.00 WT1 H ATOM 5676 H2 TIP3 878 -19.799 14.787 3.414 1.00 0.00 WT1 H ATOM 5677 OH2 TIP3 880 1.292 -1.399 -4.841 1.00 0.00 WT1 O ATOM 5678 H1 TIP3 880 -7.015 -4.748 -3.826 1.00 0.00 WT1 H ATOM 5679 H2 TIP3 880 6.803 -8.606 -9.266 1.00 0.00 WT1 H ATOM 5680 OH2 TIP3 881 3.276 2.631 1.971 1.00 0.00 WT1 O ATOM 5681 H1 TIP3 881 6.663 0.196 -8.255 1.00 0.00 WT1 H ATOM 5682 H2 TIP3 881 -6.968 30.357 30.718 1.00 0.00 WT1 H ATOM 5683 OH2 TIP3 883 -3.591 -5.180 1.564 1.00 0.00 WT1 O ATOM 5684 H1 TIP3 883 -3.781 -16.550 10.201 1.00 0.00 WT1 H ATOM 5685 H2 TIP3 883 -4.523 -8.929 -1.486 1.00 0.00 WT1 H ATOM 5686 OH2 TIP3 884 -2.587 -1.846 4.599 1.00 0.00 WT1 O ATOM 5687 H1 TIP3 884 4.776 10.343 1.237 1.00 0.00 WT1 H ATOM 5688 H2 TIP3 884 -17.294 -24.147 8.030 1.00 0.00 WT1 H ATOM 5689 OH2 TIP3 885 -0.820 0.266 -5.225 1.00 0.00 WT1 O ATOM 5690 H1 TIP3 885 5.735 -11.463 6.927 1.00 0.00 WT1 H ATOM 5691 H2 TIP3 885 14.270 2.280 -18.553 1.00 0.00 WT1 H ATOM 5692 OH2 TIP3 886 2.009 0.035 -3.915 1.00 0.00 WT1 O ATOM 5693 H1 TIP3 886 -8.183 -0.183 -14.502 1.00 0.00 WT1 H ATOM 5694 H2 TIP3 886 4.394 8.365 -10.517 1.00 0.00 WT1 H ATOM 5695 OH2 TIP3 887 0.387 3.492 1.340 1.00 0.00 WT1 O ATOM 5696 H1 TIP3 887 2.734 -10.384 8.306 1.00 0.00 WT1 H ATOM 5697 H2 TIP3 887 -1.748 27.937 9.192 1.00 0.00 WT1 H ATOM 5698 OH2 TIP3 889 -0.188 -0.785 -4.558 1.00 0.00 WT1 O ATOM 5699 H1 TIP3 889 -21.638 9.166 -21.399 1.00 0.00 WT1 H ATOM 5700 H2 TIP3 889 18.558 19.348 -14.575 1.00 0.00 WT1 H ATOM 5701 OH2 TIP3 890 -1.262 -1.233 -1.019 1.00 0.00 WT1 O ATOM 5702 H1 TIP3 890 -3.274 -18.055 -10.120 1.00 0.00 WT1 H ATOM 5703 H2 TIP3 890 4.698 5.398 1.228 1.00 0.00 WT1 H ATOM 5704 OH2 TIP3 891 0.633 2.519 2.528 1.00 0.00 WT1 O ATOM 5705 H1 TIP3 891 2.002 -4.560 10.064 1.00 0.00 WT1 H ATOM 5706 H2 TIP3 891 3.082 4.566 9.286 1.00 0.00 WT1 H ATOM 5707 OH2 TIP3 893 4.685 2.954 4.294 1.00 0.00 WT1 O ATOM 5708 H1 TIP3 893 -27.777 7.015 25.528 1.00 0.00 WT1 H ATOM 5709 H2 TIP3 893 -20.474 17.627 -7.071 1.00 0.00 WT1 H ATOM 5710 OH2 TIP3 894 -1.972 2.349 -0.210 1.00 0.00 WT1 O ATOM 5711 H1 TIP3 894 0.079 -8.357 0.563 1.00 0.00 WT1 H ATOM 5712 H2 TIP3 894 -9.258 -3.748 4.844 1.00 0.00 WT1 H ATOM 5713 OH2 TIP3 895 -0.645 0.094 -6.459 1.00 0.00 WT1 O ATOM 5714 H1 TIP3 895 -8.877 -3.712 4.130 1.00 0.00 WT1 H ATOM 5715 H2 TIP3 895 -10.520 5.560 -16.324 1.00 0.00 WT1 H ATOM 5716 OH2 TIP3 896 -1.342 7.231 0.803 1.00 0.00 WT1 O ATOM 5717 H1 TIP3 896 -6.261 -3.193 0.976 1.00 0.00 WT1 H ATOM 5718 H2 TIP3 896 4.327 15.453 1.139 1.00 0.00 WT1 H ATOM 5719 OH2 TIP3 897 -3.267 -3.661 -2.250 1.00 0.00 WT1 O ATOM 5720 H1 TIP3 897 -8.255 3.830 21.264 1.00 0.00 WT1 H ATOM 5721 H2 TIP3 897 2.083 -2.306 -17.052 1.00 0.00 WT1 H ATOM 5722 OH2 TIP3 898 -0.816 5.999 2.986 1.00 0.00 WT1 O ATOM 5723 H1 TIP3 898 23.904 4.899 -0.696 1.00 0.00 WT1 H ATOM 5724 H2 TIP3 898 -14.576 -4.206 -12.397 1.00 0.00 WT1 H ATOM 5725 OH2 TIP3 899 -1.028 -3.318 -2.798 1.00 0.00 WT1 O ATOM 5726 H1 TIP3 899 -1.753 21.953 -6.332 1.00 0.00 WT1 H ATOM 5727 H2 TIP3 899 13.481 -9.756 -1.868 1.00 0.00 WT1 H ATOM 5728 OH2 TIP3 900 0.683 -0.299 -1.807 1.00 0.00 WT1 O ATOM 5729 H1 TIP3 900 -17.022 -5.706 -26.825 1.00 0.00 WT1 H ATOM 5730 H2 TIP3 900 -10.709 -34.207 -17.135 1.00 0.00 WT1 H ATOM 5731 OH2 TIP3 901 -2.470 0.154 -1.837 1.00 0.00 WT1 O ATOM 5732 H1 TIP3 901 -33.547 8.234 -1.766 1.00 0.00 WT1 H ATOM 5733 H2 TIP3 901 17.605 -18.425 9.904 1.00 0.00 WT1 H ATOM 5734 OH2 TIP3 902 2.645 -5.120 -4.118 1.00 0.00 WT1 O ATOM 5735 H1 TIP3 902 12.071 -9.079 1.413 1.00 0.00 WT1 H ATOM 5736 H2 TIP3 902 3.467 -11.717 -5.747 1.00 0.00 WT1 H ATOM 5737 OH2 TIP3 903 6.429 2.231 2.123 1.00 0.00 WT1 O ATOM 5738 H1 TIP3 903 -0.018 -1.741 -4.456 1.00 0.00 WT1 H ATOM 5739 H2 TIP3 903 3.373 8.446 3.304 1.00 0.00 WT1 H ATOM 5740 OH2 TIP3 904 1.729 3.825 -1.878 1.00 0.00 WT1 O ATOM 5741 H1 TIP3 904 3.803 1.505 -1.077 1.00 0.00 WT1 H ATOM 5742 H2 TIP3 904 -14.287 2.194 -21.392 1.00 0.00 WT1 H ATOM 5743 OH2 TIP3 905 2.261 -5.459 2.668 1.00 0.00 WT1 O ATOM 5744 H1 TIP3 905 9.026 -34.864 5.169 1.00 0.00 WT1 H ATOM 5745 H2 TIP3 905 -15.584 -15.861 20.046 1.00 0.00 WT1 H ATOM 5746 OH2 TIP3 906 4.465 -5.270 0.047 1.00 0.00 WT1 O ATOM 5747 H1 TIP3 906 6.855 -10.588 7.530 1.00 0.00 WT1 H ATOM 5748 H2 TIP3 906 -5.901 -6.214 0.134 1.00 0.00 WT1 H ATOM 5749 OH2 TIP3 907 -4.280 2.828 0.816 1.00 0.00 WT1 O ATOM 5750 H1 TIP3 907 1.967 21.155 -8.882 1.00 0.00 WT1 H ATOM 5751 H2 TIP3 907 -11.580 0.188 9.051 1.00 0.00 WT1 H ATOM 5752 OH2 TIP3 908 8.902 -2.456 1.575 1.00 0.00 WT1 O ATOM 5753 H1 TIP3 908 -25.938 8.475 -7.491 1.00 0.00 WT1 H ATOM 5754 H2 TIP3 908 11.051 -25.051 -5.188 1.00 0.00 WT1 H ATOM 5755 OH2 TIP3 909 -0.071 4.290 -1.862 1.00 0.00 WT1 O ATOM 5756 H1 TIP3 909 -5.402 -8.642 -12.496 1.00 0.00 WT1 H ATOM 5757 H2 TIP3 909 9.922 -8.626 -3.089 1.00 0.00 WT1 H ATOM 5758 OH2 TIP3 910 6.699 -1.070 5.030 1.00 0.00 WT1 O ATOM 5759 H1 TIP3 910 3.284 -6.363 8.721 1.00 0.00 WT1 H ATOM 5760 H2 TIP3 910 2.783 -5.433 9.458 1.00 0.00 WT1 H ATOM 5761 OH2 TIP3 911 -3.582 5.565 -5.164 1.00 0.00 WT1 O ATOM 5762 H1 TIP3 911 14.703 8.577 -6.466 1.00 0.00 WT1 H ATOM 5763 H2 TIP3 911 24.847 -4.061 22.447 1.00 0.00 WT1 H ATOM 5764 OH2 TIP3 912 -0.516 -2.926 -1.452 1.00 0.00 WT1 O ATOM 5765 H1 TIP3 912 4.179 -18.546 -8.209 1.00 0.00 WT1 H ATOM 5766 H2 TIP3 912 -8.230 14.475 -7.493 1.00 0.00 WT1 H ATOM 5767 OH2 TIP3 913 -8.205 -2.586 -1.675 1.00 0.00 WT1 O ATOM 5768 H1 TIP3 913 -14.843 -16.322 -7.188 1.00 0.00 WT1 H ATOM 5769 H2 TIP3 913 -3.532 16.042 -17.688 1.00 0.00 WT1 H ATOM 5770 OH2 TIP3 914 -2.504 -2.036 3.014 1.00 0.00 WT1 O ATOM 5771 H1 TIP3 914 -2.306 12.238 -11.274 1.00 0.00 WT1 H ATOM 5772 H2 TIP3 914 -16.408 -16.465 -3.640 1.00 0.00 WT1 H ATOM 5773 OH2 TIP3 915 -8.017 -2.901 3.983 1.00 0.00 WT1 O ATOM 5774 H1 TIP3 915 -30.397 6.095 5.698 1.00 0.00 WT1 H ATOM 5775 H2 TIP3 915 34.763 -18.005 -4.143 1.00 0.00 WT1 H ATOM 5776 OH2 TIP3 916 -3.288 -1.991 10.515 1.00 0.00 WT1 O ATOM 5777 H1 TIP3 916 -10.818 -10.348 14.799 1.00 0.00 WT1 H ATOM 5778 H2 TIP3 916 9.019 -11.630 -6.237 1.00 0.00 WT1 H ATOM 5779 OH2 TIP3 917 -3.065 0.381 0.557 1.00 0.00 WT1 O ATOM 5780 H1 TIP3 917 -1.013 2.693 1.480 1.00 0.00 WT1 H ATOM 5781 H2 TIP3 917 -0.816 1.765 -2.834 1.00 0.00 WT1 H ATOM 5782 OH2 TIP3 918 -1.822 -2.804 -2.374 1.00 0.00 WT1 O ATOM 5783 H1 TIP3 918 -33.994 -4.975 -12.363 1.00 0.00 WT1 H ATOM 5784 H2 TIP3 918 -1.848 -1.591 -0.449 1.00 0.00 WT1 H ATOM 5785 OH2 TIP3 919 -1.951 -2.322 3.978 1.00 0.00 WT1 O ATOM 5786 H1 TIP3 919 8.482 16.228 -16.902 1.00 0.00 WT1 H ATOM 5787 H2 TIP3 919 -0.769 -6.007 2.323 1.00 0.00 WT1 H ATOM 5788 OH2 TIP3 921 -1.025 2.167 1.038 1.00 0.00 WT1 O ATOM 5789 H1 TIP3 921 -7.302 -7.670 -2.300 1.00 0.00 WT1 H ATOM 5790 H2 TIP3 921 8.143 -1.324 4.173 1.00 0.00 WT1 H ATOM 5791 OH2 TIP3 922 3.898 -5.270 1.537 1.00 0.00 WT1 O ATOM 5792 H1 TIP3 922 24.835 8.345 1.129 1.00 0.00 WT1 H ATOM 5793 H2 TIP3 922 11.120 -5.308 -1.150 1.00 0.00 WT1 H ATOM 5794 OH2 TIP3 923 1.767 0.538 -1.284 1.00 0.00 WT1 O ATOM 5795 H1 TIP3 923 9.479 6.450 4.346 1.00 0.00 WT1 H ATOM 5796 H2 TIP3 923 5.935 -2.094 -2.845 1.00 0.00 WT1 H ATOM 5797 OH2 TIP3 924 5.884 -2.040 0.431 1.00 0.00 WT1 O ATOM 5798 H1 TIP3 924 -8.187 17.765 -5.214 1.00 0.00 WT1 H ATOM 5799 H2 TIP3 924 6.346 -33.754 -3.096 1.00 0.00 WT1 H ATOM 5800 OH2 TIP3 925 -2.529 5.147 -2.187 1.00 0.00 WT1 O ATOM 5801 H1 TIP3 925 -2.898 9.485 0.600 1.00 0.00 WT1 H ATOM 5802 H2 TIP3 925 -2.473 -4.725 3.050 1.00 0.00 WT1 H ATOM 5803 OH2 TIP3 926 3.209 8.651 -0.738 1.00 0.00 WT1 O ATOM 5804 H1 TIP3 926 -30.520 10.485 9.488 1.00 0.00 WT1 H ATOM 5805 H2 TIP3 926 -5.612 -4.245 -23.275 1.00 0.00 WT1 H ATOM 5806 OH2 TIP3 927 1.034 -0.952 -2.722 1.00 0.00 WT1 O ATOM 5807 H1 TIP3 927 21.147 -1.991 -6.264 1.00 0.00 WT1 H ATOM 5808 H2 TIP3 927 -11.681 -8.879 -4.901 1.00 0.00 WT1 H ATOM 5809 OH2 TIP3 928 0.926 5.164 1.228 1.00 0.00 WT1 O ATOM 5810 H1 TIP3 928 -11.163 16.527 4.622 1.00 0.00 WT1 H ATOM 5811 H2 TIP3 928 16.025 2.439 12.293 1.00 0.00 WT1 H ATOM 5812 OH2 TIP3 929 -1.148 -1.699 4.897 1.00 0.00 WT1 O ATOM 5813 H1 TIP3 929 6.639 -8.420 -2.235 1.00 0.00 WT1 H ATOM 5814 H2 TIP3 929 7.702 1.099 2.245 1.00 0.00 WT1 H ATOM 5815 OH2 TIP3 930 1.195 4.882 -1.588 1.00 0.00 WT1 O ATOM 5816 H1 TIP3 930 -0.082 -5.084 8.704 1.00 0.00 WT1 H ATOM 5817 H2 TIP3 930 -11.394 6.713 -10.978 1.00 0.00 WT1 H ATOM 5818 OH2 TIP3 931 -1.553 1.032 -1.007 1.00 0.00 WT1 O ATOM 5819 H1 TIP3 931 0.459 -8.726 6.707 1.00 0.00 WT1 H ATOM 5820 H2 TIP3 931 0.442 -0.994 0.183 1.00 0.00 WT1 H ATOM 5821 OH2 TIP3 932 -0.152 -4.042 -0.829 1.00 0.00 WT1 O ATOM 5822 H1 TIP3 932 2.631 -14.018 10.314 1.00 0.00 WT1 H ATOM 5823 H2 TIP3 932 16.585 -10.608 -17.738 1.00 0.00 WT1 H ATOM 5824 OH2 TIP3 933 -0.235 -2.385 -1.104 1.00 0.00 WT1 O ATOM 5825 H1 TIP3 933 33.524 11.171 -1.615 1.00 0.00 WT1 H ATOM 5826 H2 TIP3 933 -7.023 -22.429 -1.966 1.00 0.00 WT1 H ATOM 5827 OH2 TIP3 934 3.890 -1.332 -3.772 1.00 0.00 WT1 O ATOM 5828 H1 TIP3 934 -10.242 -6.610 -14.015 1.00 0.00 WT1 H ATOM 5829 H2 TIP3 934 22.023 15.291 13.543 1.00 0.00 WT1 H ATOM 5830 OH2 TIP3 935 -0.410 -1.098 -2.796 1.00 0.00 WT1 O ATOM 5831 H1 TIP3 935 -6.134 21.647 -21.154 1.00 0.00 WT1 H ATOM 5832 H2 TIP3 935 21.917 18.448 -14.786 1.00 0.00 WT1 H ATOM 5833 OH2 TIP3 936 0.854 -3.437 -1.597 1.00 0.00 WT1 O ATOM 5834 H1 TIP3 936 -1.411 11.021 6.662 1.00 0.00 WT1 H ATOM 5835 H2 TIP3 936 -0.135 -8.092 -5.596 1.00 0.00 WT1 H ATOM 5836 OH2 TIP3 937 -7.678 2.213 -1.559 1.00 0.00 WT1 O ATOM 5837 H1 TIP3 937 -7.896 1.037 1.097 1.00 0.00 WT1 H ATOM 5838 H2 TIP3 937 -8.291 -0.861 5.803 1.00 0.00 WT1 H ATOM 5839 OH2 TIP3 938 -1.928 0.352 -6.471 1.00 0.00 WT1 O ATOM 5840 H1 TIP3 938 -5.536 8.851 -4.273 1.00 0.00 WT1 H ATOM 5841 H2 TIP3 938 4.775 4.691 0.370 1.00 0.00 WT1 H ATOM 5842 OH2 TIP3 939 -0.794 2.549 3.978 1.00 0.00 WT1 O ATOM 5843 H1 TIP3 939 -10.784 17.188 -18.223 1.00 0.00 WT1 H ATOM 5844 H2 TIP3 939 8.976 -17.757 -1.921 1.00 0.00 WT1 H ATOM 5845 OH2 TIP3 940 0.513 -4.555 -2.213 1.00 0.00 WT1 O ATOM 5846 H1 TIP3 940 10.989 -1.623 6.521 1.00 0.00 WT1 H ATOM 5847 H2 TIP3 940 4.089 15.203 -3.996 1.00 0.00 WT1 H ATOM 5848 OH2 TIP3 941 -3.166 -2.855 -4.495 1.00 0.00 WT1 O ATOM 5849 H1 TIP3 941 -16.120 5.270 -6.567 1.00 0.00 WT1 H ATOM 5850 H2 TIP3 941 0.327 -8.167 -18.074 1.00 0.00 WT1 H ATOM 5851 OH2 TIP3 942 -0.683 1.399 1.237 1.00 0.00 WT1 O ATOM 5852 H1 TIP3 942 -1.006 1.279 3.683 1.00 0.00 WT1 H ATOM 5853 H2 TIP3 942 4.630 -5.566 26.857 1.00 0.00 WT1 H ATOM 5854 OH2 TIP3 943 1.432 9.086 -0.349 1.00 0.00 WT1 O ATOM 5855 H1 TIP3 943 -14.489 -4.663 12.988 1.00 0.00 WT1 H ATOM 5856 H2 TIP3 943 0.818 -3.035 6.009 1.00 0.00 WT1 H ATOM 5857 OH2 TIP3 944 6.540 -0.243 0.279 1.00 0.00 WT1 O ATOM 5858 H1 TIP3 944 3.545 -6.690 -1.153 1.00 0.00 WT1 H ATOM 5859 H2 TIP3 944 3.145 -2.318 0.471 1.00 0.00 WT1 H ATOM 5860 OH2 TIP3 945 0.133 3.926 0.939 1.00 0.00 WT1 O ATOM 5861 H1 TIP3 945 3.248 3.702 3.854 1.00 0.00 WT1 H ATOM 5862 H2 TIP3 945 0.218 8.371 1.602 1.00 0.00 WT1 H ATOM 5863 OH2 TIP3 946 -6.775 -5.814 -2.474 1.00 0.00 WT1 O ATOM 5864 H1 TIP3 946 -23.420 -2.652 5.979 1.00 0.00 WT1 H ATOM 5865 H2 TIP3 946 4.419 9.337 8.226 1.00 0.00 WT1 H ATOM 5866 OH2 TIP3 947 3.018 3.781 -7.148 1.00 0.00 WT1 O ATOM 5867 H1 TIP3 947 25.211 21.577 -13.730 1.00 0.00 WT1 H ATOM 5868 H2 TIP3 947 0.454 -1.338 -1.926 1.00 0.00 WT1 H ATOM 5869 OH2 TIP3 948 -4.574 -0.815 7.416 1.00 0.00 WT1 O ATOM 5870 H1 TIP3 948 2.040 -1.657 7.627 1.00 0.00 WT1 H ATOM 5871 H2 TIP3 948 -4.356 10.668 -23.238 1.00 0.00 WT1 H ATOM 5872 OH2 TIP3 949 2.413 -0.692 1.639 1.00 0.00 WT1 O ATOM 5873 H1 TIP3 949 14.230 21.797 10.015 1.00 0.00 WT1 H ATOM 5874 H2 TIP3 949 -4.919 11.078 8.064 1.00 0.00 WT1 H ATOM 5875 OH2 TIP3 950 -0.895 -5.166 2.136 1.00 0.00 WT1 O ATOM 5876 H1 TIP3 950 -0.196 -3.630 3.168 1.00 0.00 WT1 H ATOM 5877 H2 TIP3 950 -7.678 -15.722 25.353 1.00 0.00 WT1 H ATOM 5878 OH2 TIP3 951 4.353 -9.939 -2.775 1.00 0.00 WT1 O ATOM 5879 H1 TIP3 951 18.743 0.281 13.338 1.00 0.00 WT1 H ATOM 5880 H2 TIP3 951 -17.963 -17.665 5.890 1.00 0.00 WT1 H ATOM 5881 OH2 TIP3 952 -1.254 -6.285 1.002 1.00 0.00 WT1 O ATOM 5882 H1 TIP3 952 -5.113 6.642 7.859 1.00 0.00 WT1 H ATOM 5883 H2 TIP3 952 -3.997 4.335 10.522 1.00 0.00 WT1 H ATOM 5884 OH2 TIP3 953 3.037 2.982 4.315 1.00 0.00 WT1 O ATOM 5885 H1 TIP3 953 4.644 11.964 -11.809 1.00 0.00 WT1 H ATOM 5886 H2 TIP3 953 -1.260 -0.931 9.836 1.00 0.00 WT1 H ATOM 5887 OH2 TIP3 954 -3.799 3.563 0.714 1.00 0.00 WT1 O ATOM 5888 H1 TIP3 954 14.867 5.829 -6.580 1.00 0.00 WT1 H ATOM 5889 H2 TIP3 954 10.758 5.699 3.614 1.00 0.00 WT1 H ATOM 5890 OH2 TIP3 955 3.702 0.210 5.641 1.00 0.00 WT1 O ATOM 5891 H1 TIP3 955 4.592 1.415 8.908 1.00 0.00 WT1 H ATOM 5892 H2 TIP3 955 0.506 -1.882 -1.169 1.00 0.00 WT1 H ATOM 5893 OH2 TIP3 956 4.376 -5.892 1.274 1.00 0.00 WT1 O ATOM 5894 H1 TIP3 956 13.888 5.333 19.713 1.00 0.00 WT1 H ATOM 5895 H2 TIP3 956 6.716 -5.004 7.937 1.00 0.00 WT1 H ATOM 5896 OH2 TIP3 957 -5.225 -1.929 -1.835 1.00 0.00 WT1 O ATOM 5897 H1 TIP3 957 8.346 -25.287 4.912 1.00 0.00 WT1 H ATOM 5898 H2 TIP3 957 -5.171 -0.591 3.381 1.00 0.00 WT1 H ATOM 5899 OH2 TIP3 958 -1.576 -0.128 4.365 1.00 0.00 WT1 O ATOM 5900 H1 TIP3 958 -3.322 8.681 -1.943 1.00 0.00 WT1 H ATOM 5901 H2 TIP3 958 1.166 -1.708 5.261 1.00 0.00 WT1 H ATOM 5902 OH2 TIP3 959 0.003 -2.402 -1.391 1.00 0.00 WT1 O ATOM 5903 H1 TIP3 959 17.263 -2.462 -34.078 1.00 0.00 WT1 H ATOM 5904 H2 TIP3 959 -28.014 -2.370 -3.126 1.00 0.00 WT1 H ATOM 5905 OH2 TIP3 960 1.902 -2.655 -4.022 1.00 0.00 WT1 O ATOM 5906 H1 TIP3 960 -16.646 12.634 1.565 1.00 0.00 WT1 H ATOM 5907 H2 TIP3 960 -14.200 -5.562 11.251 1.00 0.00 WT1 H ATOM 5908 OH2 TIP3 961 1.396 5.825 -1.241 1.00 0.00 WT1 O ATOM 5909 H1 TIP3 961 2.704 7.928 -1.198 1.00 0.00 WT1 H ATOM 5910 H2 TIP3 961 11.114 12.513 2.900 1.00 0.00 WT1 H ATOM 5911 OH2 TIP3 962 -5.131 -1.403 -9.540 1.00 0.00 WT1 O ATOM 5912 H1 TIP3 962 -3.043 -7.564 -23.979 1.00 0.00 WT1 H ATOM 5913 H2 TIP3 962 -9.384 13.419 -11.133 1.00 0.00 WT1 H ATOM 5914 OH2 TIP3 963 -5.159 -4.007 6.655 1.00 0.00 WT1 O ATOM 5915 H1 TIP3 963 13.985 12.885 8.908 1.00 0.00 WT1 H ATOM 5916 H2 TIP3 963 -26.538 5.954 18.078 1.00 0.00 WT1 H ATOM 5917 OH2 TIP3 964 6.436 1.728 0.143 1.00 0.00 WT1 O ATOM 5918 H1 TIP3 964 -3.205 21.112 -11.224 1.00 0.00 WT1 H ATOM 5919 H2 TIP3 964 -0.065 -3.909 -1.004 1.00 0.00 WT1 H ATOM 5920 OH2 TIP3 965 -3.658 3.085 -3.788 1.00 0.00 WT1 O ATOM 5921 H1 TIP3 965 25.064 -15.309 27.670 1.00 0.00 WT1 H ATOM 5922 H2 TIP3 965 -14.266 -22.724 -1.895 1.00 0.00 WT1 H ATOM 5923 OH2 TIP3 966 -5.954 0.679 0.766 1.00 0.00 WT1 O ATOM 5924 H1 TIP3 966 -10.619 9.142 -8.611 1.00 0.00 WT1 H ATOM 5925 H2 TIP3 966 -9.594 -1.528 5.200 1.00 0.00 WT1 H ATOM 5926 OH2 TIP3 967 6.419 3.869 2.439 1.00 0.00 WT1 O ATOM 5927 H1 TIP3 967 1.957 -17.235 6.987 1.00 0.00 WT1 H ATOM 5928 H2 TIP3 967 7.818 -24.003 10.042 1.00 0.00 WT1 H ATOM 5929 OH2 TIP3 968 -9.714 -0.318 -6.027 1.00 0.00 WT1 O ATOM 5930 H1 TIP3 968 18.508 31.334 2.154 1.00 0.00 WT1 H ATOM 5931 H2 TIP3 968 -5.646 11.108 -6.409 1.00 0.00 WT1 H ATOM 5932 OH2 TIP3 969 2.513 4.812 5.053 1.00 0.00 WT1 O ATOM 5933 H1 TIP3 969 20.771 -6.411 -19.391 1.00 0.00 WT1 H ATOM 5934 H2 TIP3 969 -2.874 20.958 3.403 1.00 0.00 WT1 H ATOM 5935 OH2 TIP3 970 -0.868 1.863 0.569 1.00 0.00 WT1 O ATOM 5936 H1 TIP3 970 -6.282 -14.677 -8.127 1.00 0.00 WT1 H ATOM 5937 H2 TIP3 970 -8.224 4.417 13.160 1.00 0.00 WT1 H ATOM 5938 OH2 TIP3 971 0.587 2.183 -4.528 1.00 0.00 WT1 O ATOM 5939 H1 TIP3 971 -0.657 -8.815 -6.928 1.00 0.00 WT1 H ATOM 5940 H2 TIP3 971 -10.818 6.449 -1.155 1.00 0.00 WT1 H ATOM 5941 OH2 TIP3 972 4.767 2.103 -7.153 1.00 0.00 WT1 O ATOM 5942 H1 TIP3 972 20.345 7.819 -9.545 1.00 0.00 WT1 H ATOM 5943 H2 TIP3 972 1.268 8.084 3.934 1.00 0.00 WT1 H ATOM 5944 OH2 TIP3 973 2.315 -1.528 -2.047 1.00 0.00 WT1 O ATOM 5945 H1 TIP3 973 12.655 4.547 -10.685 1.00 0.00 WT1 H ATOM 5946 H2 TIP3 973 -5.092 2.881 -11.614 1.00 0.00 WT1 H ATOM 5947 OH2 TIP3 974 -5.020 -4.052 0.218 1.00 0.00 WT1 O ATOM 5948 H1 TIP3 974 10.091 -18.337 8.526 1.00 0.00 WT1 H ATOM 5949 H2 TIP3 974 8.700 22.234 7.136 1.00 0.00 WT1 H ATOM 5950 OH2 TIP3 975 -2.311 -0.027 2.975 1.00 0.00 WT1 O ATOM 5951 H1 TIP3 975 -0.634 6.236 -7.790 1.00 0.00 WT1 H ATOM 5952 H2 TIP3 975 -1.727 5.708 -14.029 1.00 0.00 WT1 H ATOM 5953 OH2 TIP3 976 -3.867 -0.008 2.013 1.00 0.00 WT1 O ATOM 5954 H1 TIP3 976 -30.363 -31.427 2.377 1.00 0.00 WT1 H ATOM 5955 H2 TIP3 976 21.538 -23.951 -7.634 1.00 0.00 WT1 H ATOM 5956 OH2 TIP3 977 -0.905 -3.590 -3.595 1.00 0.00 WT1 O ATOM 5957 H1 TIP3 977 -10.692 -6.968 -31.314 1.00 0.00 WT1 H ATOM 5958 H2 TIP3 977 23.836 5.480 -8.271 1.00 0.00 WT1 H ATOM 5959 OH2 TIP3 978 6.204 2.809 -5.290 1.00 0.00 WT1 O ATOM 5960 H1 TIP3 978 8.155 6.715 -11.121 1.00 0.00 WT1 H ATOM 5961 H2 TIP3 978 2.983 -2.463 -17.823 1.00 0.00 WT1 H ATOM 5962 OH2 TIP3 979 1.378 2.522 -7.852 1.00 0.00 WT1 O ATOM 5963 H1 TIP3 979 19.743 -8.083 16.459 1.00 0.00 WT1 H ATOM 5964 H2 TIP3 979 -14.830 -2.093 -35.263 1.00 0.00 WT1 H ATOM 5965 OH2 TIP3 980 -0.733 5.430 -0.861 1.00 0.00 WT1 O ATOM 5966 H1 TIP3 980 -2.992 -10.647 17.664 1.00 0.00 WT1 H ATOM 5967 H2 TIP3 980 -18.309 10.411 -11.615 1.00 0.00 WT1 H ATOM 5968 OH2 TIP3 982 6.414 5.351 -5.041 1.00 0.00 WT1 O ATOM 5969 H1 TIP3 982 1.726 -3.286 8.445 1.00 0.00 WT1 H ATOM 5970 H2 TIP3 982 -11.713 5.259 -3.908 1.00 0.00 WT1 H ATOM 5971 OH2 TIP3 983 8.004 6.246 6.606 1.00 0.00 WT1 O ATOM 5972 H1 TIP3 983 -8.091 14.473 22.810 1.00 0.00 WT1 H ATOM 5973 H2 TIP3 983 -2.070 -14.627 -2.367 1.00 0.00 WT1 H ATOM 5974 OH2 TIP3 984 0.981 1.918 0.135 1.00 0.00 WT1 O ATOM 5975 H1 TIP3 984 -25.588 -20.977 -2.012 1.00 0.00 WT1 H ATOM 5976 H2 TIP3 984 19.003 8.084 3.899 1.00 0.00 WT1 H ATOM 5977 OH2 TIP3 985 1.022 -2.686 -1.564 1.00 0.00 WT1 O ATOM 5978 H1 TIP3 985 -2.216 1.093 0.578 1.00 0.00 WT1 H ATOM 5979 H2 TIP3 985 -3.912 21.193 1.725 1.00 0.00 WT1 H ATOM 5980 OH2 TIP3 986 -1.147 3.777 3.607 1.00 0.00 WT1 O ATOM 5981 H1 TIP3 986 8.958 14.129 -16.584 1.00 0.00 WT1 H ATOM 5982 H2 TIP3 986 -18.036 7.162 6.349 1.00 0.00 WT1 H ATOM 5983 OH2 TIP3 988 -1.455 -2.693 -0.152 1.00 0.00 WT1 O ATOM 5984 H1 TIP3 988 -1.689 2.558 15.546 1.00 0.00 WT1 H ATOM 5985 H2 TIP3 988 1.551 0.136 -13.197 1.00 0.00 WT1 H ATOM 5986 OH2 TIP3 989 -0.319 0.146 -4.582 1.00 0.00 WT1 O ATOM 5987 H1 TIP3 989 -10.851 5.487 2.635 1.00 0.00 WT1 H ATOM 5988 H2 TIP3 989 0.835 11.670 -3.484 1.00 0.00 WT1 H ATOM 5989 OH2 TIP3 990 -2.118 5.873 -3.516 1.00 0.00 WT1 O ATOM 5990 H1 TIP3 990 0.612 26.161 -6.274 1.00 0.00 WT1 H ATOM 5991 H2 TIP3 990 24.309 -17.381 -8.044 1.00 0.00 WT1 H ATOM 5992 OH2 TIP3 991 4.853 0.752 0.577 1.00 0.00 WT1 O ATOM 5993 H1 TIP3 991 -7.381 -10.118 9.616 1.00 0.00 WT1 H ATOM 5994 H2 TIP3 991 -10.566 -7.357 22.579 1.00 0.00 WT1 H ATOM 5995 OH2 TIP3 992 0.408 -2.771 -2.884 1.00 0.00 WT1 O ATOM 5996 H1 TIP3 992 -2.518 -0.367 -6.334 1.00 0.00 WT1 H ATOM 5997 H2 TIP3 992 -9.499 6.279 -10.115 1.00 0.00 WT1 H ATOM 5998 OH2 TIP3 994 -0.270 1.611 1.288 1.00 0.00 WT1 O ATOM 5999 H1 TIP3 994 -9.120 -7.030 -8.486 1.00 0.00 WT1 H ATOM 6000 H2 TIP3 994 13.909 1.596 -5.697 1.00 0.00 WT1 H ATOM 6001 OH2 TIP3 995 -2.902 -0.276 -1.587 1.00 0.00 WT1 O ATOM 6002 H1 TIP3 995 4.851 -14.510 2.630 1.00 0.00 WT1 H ATOM 6003 H2 TIP3 995 -15.384 17.354 -8.480 1.00 0.00 WT1 H ATOM 6004 OH2 TIP3 996 -5.364 4.208 3.389 1.00 0.00 WT1 O ATOM 6005 H1 TIP3 996 -2.610 25.145 -8.519 1.00 0.00 WT1 H ATOM 6006 H2 TIP3 996 6.422 2.134 21.394 1.00 0.00 WT1 H ATOM 6007 OH2 TIP3 997 3.030 -1.057 -0.143 1.00 0.00 WT1 O ATOM 6008 H1 TIP3 997 2.733 11.792 10.781 1.00 0.00 WT1 H ATOM 6009 H2 TIP3 997 10.000 -16.210 -11.595 1.00 0.00 WT1 H ATOM 6010 OH2 TIP3 999 -5.333 -1.191 -0.995 1.00 0.00 WT1 O ATOM 6011 H1 TIP3 999 -10.161 3.917 -18.604 1.00 0.00 WT1 H ATOM 6012 H2 TIP3 999 -5.610 -13.350 20.409 1.00 0.00 WT1 H ATOM 6013 OH2 TIP3 1000 -5.104 5.282 3.032 1.00 0.00 WT1 O ATOM 6014 H1 TIP3 1000 -5.408 36.593 1.946 1.00 0.00 WT1 H ATOM 6015 H2 TIP3 1000 -3.595 -11.470 3.588 1.00 0.00 WT1 H ATOM 6016 OH2 TIP3 1001 -0.700 1.472 3.143 1.00 0.00 WT1 O ATOM 6017 H1 TIP3 1001 -3.164 7.933 -20.231 1.00 0.00 WT1 H ATOM 6018 H2 TIP3 1001 -3.688 -4.761 0.598 1.00 0.00 WT1 H ATOM 6019 OH2 TIP3 1002 -2.653 -2.988 0.785 1.00 0.00 WT1 O ATOM 6020 H1 TIP3 1002 21.043 2.701 -8.326 1.00 0.00 WT1 H ATOM 6021 H2 TIP3 1002 3.282 -23.660 -10.817 1.00 0.00 WT1 H ATOM 6022 OH2 TIP3 1003 0.532 -6.278 -1.151 1.00 0.00 WT1 O ATOM 6023 H1 TIP3 1003 10.706 -5.992 -2.236 1.00 0.00 WT1 H ATOM 6024 H2 TIP3 1003 4.230 -3.363 4.220 1.00 0.00 WT1 H ATOM 6025 OH2 TIP3 1004 -4.577 -2.245 -1.314 1.00 0.00 WT1 O ATOM 6026 H1 TIP3 1004 -2.227 4.970 5.194 1.00 0.00 WT1 H ATOM 6027 H2 TIP3 1004 -20.988 -4.057 36.599 1.00 0.00 WT1 H ATOM 6028 OH2 TIP3 1005 -3.302 1.738 -0.154 1.00 0.00 WT1 O ATOM 6029 H1 TIP3 1005 -3.647 2.093 -10.202 1.00 0.00 WT1 H ATOM 6030 H2 TIP3 1005 0.414 21.237 -13.021 1.00 0.00 WT1 H ATOM 6031 OH2 TIP3 1006 -0.455 2.018 -4.829 1.00 0.00 WT1 O ATOM 6032 H1 TIP3 1006 3.918 13.095 6.657 1.00 0.00 WT1 H ATOM 6033 H2 TIP3 1006 -4.433 6.235 1.268 1.00 0.00 WT1 H ATOM 6034 OH2 TIP3 1007 -2.349 3.198 1.130 1.00 0.00 WT1 O ATOM 6035 H1 TIP3 1007 -21.228 -1.282 -20.300 1.00 0.00 WT1 H ATOM 6036 H2 TIP3 1007 -7.799 6.261 -2.593 1.00 0.00 WT1 H ATOM 6037 OH2 TIP3 1008 3.332 -1.040 0.309 1.00 0.00 WT1 O ATOM 6038 H1 TIP3 1008 -0.203 3.185 3.770 1.00 0.00 WT1 H ATOM 6039 H2 TIP3 1008 5.769 10.752 -5.046 1.00 0.00 WT1 H ATOM 6040 OH2 TIP3 1009 0.224 1.707 5.173 1.00 0.00 WT1 O ATOM 6041 H1 TIP3 1009 -5.536 0.959 2.429 1.00 0.00 WT1 H ATOM 6042 H2 TIP3 1009 -11.779 9.796 17.655 1.00 0.00 WT1 H ATOM 6043 OH2 TIP3 1010 -3.121 2.951 3.419 1.00 0.00 WT1 O ATOM 6044 H1 TIP3 1010 1.439 1.233 16.388 1.00 0.00 WT1 H ATOM 6045 H2 TIP3 1010 9.923 4.058 -5.713 1.00 0.00 WT1 H ATOM 6046 OH2 TIP3 1011 -0.165 -2.679 3.566 1.00 0.00 WT1 O ATOM 6047 H1 TIP3 1011 -1.835 2.961 -8.372 1.00 0.00 WT1 H ATOM 6048 H2 TIP3 1011 5.255 -1.717 30.050 1.00 0.00 WT1 H ATOM 6049 OH2 TIP3 1012 -8.730 -0.141 1.949 1.00 0.00 WT1 O ATOM 6050 H1 TIP3 1012 -2.908 6.790 4.366 1.00 0.00 WT1 H ATOM 6051 H2 TIP3 1012 -23.831 4.493 -4.400 1.00 0.00 WT1 H ATOM 6052 OH2 TIP3 1013 3.375 4.268 -2.237 1.00 0.00 WT1 O ATOM 6053 H1 TIP3 1013 6.762 37.005 -13.202 1.00 0.00 WT1 H ATOM 6054 H2 TIP3 1013 -13.676 -6.335 -26.372 1.00 0.00 WT1 H ATOM 6055 OH2 TIP3 1014 -1.999 0.250 -3.164 1.00 0.00 WT1 O ATOM 6056 H1 TIP3 1014 -13.522 17.892 -6.685 1.00 0.00 WT1 H ATOM 6057 H2 TIP3 1014 -15.888 0.511 -13.018 1.00 0.00 WT1 H ATOM 6058 OH2 TIP3 1015 -0.902 -1.893 -3.041 1.00 0.00 WT1 O ATOM 6059 H1 TIP3 1015 -18.147 12.594 -8.013 1.00 0.00 WT1 H ATOM 6060 H2 TIP3 1015 4.763 6.089 10.789 1.00 0.00 WT1 H ATOM 6061 OH2 TIP3 1016 0.507 -12.403 -4.727 1.00 0.00 WT1 O ATOM 6062 H1 TIP3 1016 -3.872 -13.064 -33.232 1.00 0.00 WT1 H ATOM 6063 H2 TIP3 1016 -36.897 -3.471 -13.040 1.00 0.00 WT1 H ATOM 6064 OH2 TIP3 1017 1.614 1.600 -2.420 1.00 0.00 WT1 O ATOM 6065 H1 TIP3 1017 -0.613 20.115 -23.634 1.00 0.00 WT1 H ATOM 6066 H2 TIP3 1017 25.263 1.154 0.727 1.00 0.00 WT1 H ATOM 6067 OH2 TIP3 1018 3.894 -1.468 -1.856 1.00 0.00 WT1 O ATOM 6068 H1 TIP3 1018 9.390 -9.817 -23.659 1.00 0.00 WT1 H ATOM 6069 H2 TIP3 1018 -7.818 13.096 2.271 1.00 0.00 WT1 H ATOM 6070 OH2 TIP3 1020 -1.248 -1.752 0.564 1.00 0.00 WT1 O ATOM 6071 H1 TIP3 1020 1.780 -9.713 3.389 1.00 0.00 WT1 H ATOM 6072 H2 TIP3 1020 0.391 3.709 -17.947 1.00 0.00 WT1 H ATOM 6073 OH2 TIP3 1021 -3.406 2.055 -0.033 1.00 0.00 WT1 O ATOM 6074 H1 TIP3 1021 15.872 22.676 -33.352 1.00 0.00 WT1 H ATOM 6075 H2 TIP3 1021 7.887 11.367 1.711 1.00 0.00 WT1 H ATOM 6076 OH2 TIP3 1022 -2.805 1.018 3.031 1.00 0.00 WT1 O ATOM 6077 H1 TIP3 1022 8.716 20.227 -4.234 1.00 0.00 WT1 H ATOM 6078 H2 TIP3 1022 8.677 -5.191 22.940 1.00 0.00 WT1 H ATOM 6079 OH2 TIP3 1023 2.809 7.695 -3.476 1.00 0.00 WT1 O ATOM 6080 H1 TIP3 1023 -7.711 4.530 4.405 1.00 0.00 WT1 H ATOM 6081 H2 TIP3 1023 13.412 1.670 -16.700 1.00 0.00 WT1 H ATOM 6082 OH2 TIP3 1025 2.511 5.627 3.636 1.00 0.00 WT1 O ATOM 6083 H1 TIP3 1025 2.442 10.444 2.533 1.00 0.00 WT1 H ATOM 6084 H2 TIP3 1025 3.764 0.689 -1.717 1.00 0.00 WT1 H ATOM 6085 OH2 TIP3 1026 -2.806 -1.862 1.392 1.00 0.00 WT1 O ATOM 6086 H1 TIP3 1026 6.296 7.892 -8.525 1.00 0.00 WT1 H ATOM 6087 H2 TIP3 1026 -3.320 -19.364 -4.005 1.00 0.00 WT1 H ATOM 6088 OH2 TIP3 1027 0.103 1.229 -2.054 1.00 0.00 WT1 O ATOM 6089 H1 TIP3 1027 9.417 11.801 9.221 1.00 0.00 WT1 H ATOM 6090 H2 TIP3 1027 -30.865 38.389 -6.656 1.00 0.00 WT1 H ATOM 6091 OH2 TIP3 1028 -3.115 0.776 -2.570 1.00 0.00 WT1 O ATOM 6092 H1 TIP3 1028 7.087 -16.610 2.755 1.00 0.00 WT1 H ATOM 6093 H2 TIP3 1028 -7.525 6.989 -8.314 1.00 0.00 WT1 H ATOM 6094 OH2 TIP3 1029 5.440 2.015 2.444 1.00 0.00 WT1 O ATOM 6095 H1 TIP3 1029 -19.543 12.476 -6.543 1.00 0.00 WT1 H ATOM 6096 H2 TIP3 1029 1.744 -3.105 2.320 1.00 0.00 WT1 H ATOM 6097 OH2 TIP3 1030 -1.852 1.753 0.497 1.00 0.00 WT1 O ATOM 6098 H1 TIP3 1030 16.031 7.834 2.631 1.00 0.00 WT1 H ATOM 6099 H2 TIP3 1030 -6.277 -6.018 16.537 1.00 0.00 WT1 H ATOM 6100 OH2 TIP3 1031 0.506 1.129 0.798 1.00 0.00 WT1 O ATOM 6101 H1 TIP3 1031 -2.963 6.003 -7.969 1.00 0.00 WT1 H ATOM 6102 H2 TIP3 1031 -2.919 -13.709 13.906 1.00 0.00 WT1 H ATOM 6103 OH2 TIP3 1032 0.270 2.655 -0.020 1.00 0.00 WT1 O ATOM 6104 H1 TIP3 1032 -15.561 1.398 -1.112 1.00 0.00 WT1 H ATOM 6105 H2 TIP3 1032 -0.160 2.328 -21.804 1.00 0.00 WT1 H ATOM 6106 OH2 TIP3 1033 -4.702 1.670 0.987 1.00 0.00 WT1 O ATOM 6107 H1 TIP3 1033 -7.787 10.827 17.637 1.00 0.00 WT1 H ATOM 6108 H2 TIP3 1033 0.878 -14.828 3.267 1.00 0.00 WT1 H ATOM 6109 OH2 TIP3 1034 -5.643 2.558 -3.210 1.00 0.00 WT1 O ATOM 6110 H1 TIP3 1034 -1.734 7.908 -2.721 1.00 0.00 WT1 H ATOM 6111 H2 TIP3 1034 1.073 -0.158 -4.433 1.00 0.00 WT1 H ATOM 6112 OH2 TIP3 1035 5.804 -5.584 2.373 1.00 0.00 WT1 O ATOM 6113 H1 TIP3 1035 -9.831 -7.072 -8.583 1.00 0.00 WT1 H ATOM 6114 H2 TIP3 1035 15.944 -6.528 11.327 1.00 0.00 WT1 H ATOM 6115 OH2 TIP3 1036 -0.656 -1.330 1.372 1.00 0.00 WT1 O ATOM 6116 H1 TIP3 1036 -12.945 -0.427 -11.596 1.00 0.00 WT1 H ATOM 6117 H2 TIP3 1036 -1.936 -7.839 -7.267 1.00 0.00 WT1 H ATOM 6118 OH2 TIP3 1037 -2.998 -1.361 9.092 1.00 0.00 WT1 O ATOM 6119 H1 TIP3 1037 3.991 -5.839 1.544 1.00 0.00 WT1 H ATOM 6120 H2 TIP3 1037 12.744 -1.639 26.781 1.00 0.00 WT1 H ATOM 6121 OH2 TIP3 1038 1.455 5.955 -2.733 1.00 0.00 WT1 O ATOM 6122 H1 TIP3 1038 0.838 23.795 -7.876 1.00 0.00 WT1 H ATOM 6123 H2 TIP3 1038 -8.020 4.209 5.844 1.00 0.00 WT1 H ATOM 6124 OH2 TIP3 1039 -2.718 -6.344 2.425 1.00 0.00 WT1 O ATOM 6125 H1 TIP3 1039 1.301 -5.551 4.694 1.00 0.00 WT1 H ATOM 6126 H2 TIP3 1039 -24.082 -27.981 -2.820 1.00 0.00 WT1 H ATOM 6127 OH2 TIP3 1040 -5.783 11.759 -9.711 1.00 0.00 WT1 O ATOM 6128 H1 TIP3 1040 -4.965 10.362 -11.068 1.00 0.00 WT1 H ATOM 6129 H2 TIP3 1040 1.813 -2.765 -12.071 1.00 0.00 WT1 H ATOM 6130 OH2 TIP3 1041 -1.055 -2.229 1.387 1.00 0.00 WT1 O ATOM 6131 H1 TIP3 1041 -8.969 6.989 24.356 1.00 0.00 WT1 H ATOM 6132 H2 TIP3 1041 3.551 -16.180 -15.648 1.00 0.00 WT1 H ATOM 6133 OH2 TIP3 1042 0.585 4.102 0.346 1.00 0.00 WT1 O ATOM 6134 H1 TIP3 1042 -0.506 11.321 2.293 1.00 0.00 WT1 H ATOM 6135 H2 TIP3 1042 3.830 12.041 8.513 1.00 0.00 WT1 H ATOM 6136 OH2 TIP3 1043 -3.042 -4.330 -2.392 1.00 0.00 WT1 O ATOM 6137 H1 TIP3 1043 -6.367 -16.555 11.053 1.00 0.00 WT1 H ATOM 6138 H2 TIP3 1043 -8.997 -10.062 -15.975 1.00 0.00 WT1 H ATOM 6139 OH2 TIP3 1044 3.707 3.733 -4.983 1.00 0.00 WT1 O ATOM 6140 H1 TIP3 1044 -5.712 5.404 -6.270 1.00 0.00 WT1 H ATOM 6141 H2 TIP3 1044 4.931 3.777 4.962 1.00 0.00 WT1 H ATOM 6142 OH2 TIP3 1045 3.335 -3.540 -5.164 1.00 0.00 WT1 O ATOM 6143 H1 TIP3 1045 8.847 0.159 -4.772 1.00 0.00 WT1 H ATOM 6144 H2 TIP3 1045 -2.300 1.789 -4.706 1.00 0.00 WT1 H ATOM 6145 OH2 TIP3 1046 -4.130 -2.838 -0.163 1.00 0.00 WT1 O ATOM 6146 H1 TIP3 1046 -22.054 16.988 1.345 1.00 0.00 WT1 H ATOM 6147 H2 TIP3 1046 -7.606 -0.898 -4.119 1.00 0.00 WT1 H ATOM 6148 OH2 TIP3 1047 -3.215 -2.289 3.875 1.00 0.00 WT1 O ATOM 6149 H1 TIP3 1047 18.422 -1.494 6.344 1.00 0.00 WT1 H ATOM 6150 H2 TIP3 1047 -34.353 0.038 -5.287 1.00 0.00 WT1 H ATOM 6151 OH2 TIP3 1048 -0.419 -2.090 5.883 1.00 0.00 WT1 O ATOM 6152 H1 TIP3 1048 -7.972 -4.924 -4.399 1.00 0.00 WT1 H ATOM 6153 H2 TIP3 1048 -13.840 -10.740 20.126 1.00 0.00 WT1 H ATOM 6154 OH2 TIP3 1049 3.758 -2.665 -3.640 1.00 0.00 WT1 O ATOM 6155 H1 TIP3 1049 13.602 5.512 -6.859 1.00 0.00 WT1 H ATOM 6156 H2 TIP3 1049 33.936 13.240 -12.255 1.00 0.00 WT1 H ATOM 6157 OH2 TIP3 1050 0.175 0.045 -1.620 1.00 0.00 WT1 O ATOM 6158 H1 TIP3 1050 18.814 -12.301 26.209 1.00 0.00 WT1 H ATOM 6159 H2 TIP3 1050 25.512 12.654 3.452 1.00 0.00 WT1 H ATOM 6160 OH2 TIP3 1051 -7.333 0.194 -3.200 1.00 0.00 WT1 O ATOM 6161 H1 TIP3 1051 -2.282 -1.890 -2.350 1.00 0.00 WT1 H ATOM 6162 H2 TIP3 1051 -16.063 -21.869 -22.418 1.00 0.00 WT1 H ATOM 6163 OH2 TIP3 1052 2.305 3.588 1.594 1.00 0.00 WT1 O ATOM 6164 H1 TIP3 1052 1.780 -1.012 -8.157 1.00 0.00 WT1 H ATOM 6165 H2 TIP3 1052 3.266 -6.186 -16.620 1.00 0.00 WT1 H ATOM 6166 OH2 TIP3 1053 -0.788 -2.685 -0.732 1.00 0.00 WT1 O ATOM 6167 H1 TIP3 1053 -7.038 3.331 -5.436 1.00 0.00 WT1 H ATOM 6168 H2 TIP3 1053 6.843 2.296 3.483 1.00 0.00 WT1 H ATOM 6169 OH2 TIP3 1054 -2.512 0.874 -2.118 1.00 0.00 WT1 O ATOM 6170 H1 TIP3 1054 -6.300 1.361 4.623 1.00 0.00 WT1 H ATOM 6171 H2 TIP3 1054 -8.868 8.912 -2.069 1.00 0.00 WT1 H ATOM 6172 OH2 TIP3 1055 -2.013 -0.432 1.442 1.00 0.00 WT1 O ATOM 6173 H1 TIP3 1055 -1.074 -0.234 -16.377 1.00 0.00 WT1 H ATOM 6174 H2 TIP3 1055 2.453 8.481 6.257 1.00 0.00 WT1 H ATOM 6175 OH2 TIP3 1056 1.083 -4.873 -3.394 1.00 0.00 WT1 O ATOM 6176 H1 TIP3 1056 7.271 -3.468 0.292 1.00 0.00 WT1 H ATOM 6177 H2 TIP3 1056 -10.360 2.396 -4.085 1.00 0.00 WT1 H ATOM 6178 OH2 TIP3 1057 0.320 7.282 3.937 1.00 0.00 WT1 O ATOM 6179 H1 TIP3 1057 -2.558 2.373 2.213 1.00 0.00 WT1 H ATOM 6180 H2 TIP3 1057 4.984 11.882 5.704 1.00 0.00 WT1 H ATOM 6181 OH2 TIP3 1058 -4.878 0.740 -0.080 1.00 0.00 WT1 O ATOM 6182 H1 TIP3 1058 1.697 -0.763 17.471 1.00 0.00 WT1 H ATOM 6183 H2 TIP3 1058 -13.611 17.032 -0.456 1.00 0.00 WT1 H ATOM 6184 OH2 TIP3 1059 -7.972 0.673 -4.303 1.00 0.00 WT1 O ATOM 6185 H1 TIP3 1059 -5.172 6.626 -5.133 1.00 0.00 WT1 H ATOM 6186 H2 TIP3 1059 -4.499 0.662 -9.453 1.00 0.00 WT1 H ATOM 6187 OH2 TIP3 1060 -0.172 -1.151 -5.816 1.00 0.00 WT1 O ATOM 6188 H1 TIP3 1060 -16.110 -14.341 18.110 1.00 0.00 WT1 H ATOM 6189 H2 TIP3 1060 -9.698 -1.769 -39.122 1.00 0.00 WT1 H ATOM 6190 OH2 TIP3 1061 9.923 1.781 2.565 1.00 0.00 WT1 O ATOM 6191 H1 TIP3 1061 -9.590 12.334 -3.976 1.00 0.00 WT1 H ATOM 6192 H2 TIP3 1061 11.722 3.398 -10.987 1.00 0.00 WT1 H ATOM 6193 OH2 TIP3 1062 3.630 -0.787 -1.090 1.00 0.00 WT1 O ATOM 6194 H1 TIP3 1062 -7.370 20.249 -9.251 1.00 0.00 WT1 H ATOM 6195 H2 TIP3 1062 18.965 14.024 -12.885 1.00 0.00 WT1 H ATOM 6196 OH2 TIP3 1063 0.557 -3.519 0.035 1.00 0.00 WT1 O ATOM 6197 H1 TIP3 1063 3.164 7.232 -12.806 1.00 0.00 WT1 H ATOM 6198 H2 TIP3 1063 34.924 -10.376 2.760 1.00 0.00 WT1 H ATOM 6199 OH2 TIP3 1064 0.456 3.226 1.250 1.00 0.00 WT1 O ATOM 6200 H1 TIP3 1064 -1.369 -1.832 -2.894 1.00 0.00 WT1 H ATOM 6201 H2 TIP3 1064 -3.842 4.774 5.089 1.00 0.00 WT1 H ATOM 6202 OH2 TIP3 1065 -0.868 -2.861 4.335 1.00 0.00 WT1 O ATOM 6203 H1 TIP3 1065 -6.366 2.195 20.289 1.00 0.00 WT1 H ATOM 6204 H2 TIP3 1065 -15.575 -2.337 -1.426 1.00 0.00 WT1 H ATOM 6205 OH2 TIP3 1066 9.150 -1.237 1.752 1.00 0.00 WT1 O ATOM 6206 H1 TIP3 1066 4.142 22.462 19.693 1.00 0.00 WT1 H ATOM 6207 H2 TIP3 1066 10.183 -29.496 -18.398 1.00 0.00 WT1 H ATOM 6208 OH2 TIP3 1067 -2.235 2.646 0.170 1.00 0.00 WT1 O ATOM 6209 H1 TIP3 1067 15.613 26.375 17.403 1.00 0.00 WT1 H ATOM 6210 H2 TIP3 1067 -5.581 5.279 -6.807 1.00 0.00 WT1 H ATOM 6211 OH2 TIP3 1068 -5.925 0.409 -4.038 1.00 0.00 WT1 O ATOM 6212 H1 TIP3 1068 -10.689 13.047 13.058 1.00 0.00 WT1 H ATOM 6213 H2 TIP3 1068 -3.819 1.750 -12.131 1.00 0.00 WT1 H ATOM 6214 OH2 TIP3 1069 -2.339 0.580 0.047 1.00 0.00 WT1 O ATOM 6215 H1 TIP3 1069 -27.102 -25.681 -24.603 1.00 0.00 WT1 H ATOM 6216 H2 TIP3 1069 7.239 -7.637 3.661 1.00 0.00 WT1 H ATOM 6217 OH2 TIP3 1070 -5.349 -2.068 -0.152 1.00 0.00 WT1 O ATOM 6218 H1 TIP3 1070 -13.502 -5.844 6.351 1.00 0.00 WT1 H ATOM 6219 H2 TIP3 1070 2.910 3.296 -8.098 1.00 0.00 WT1 H ATOM 6220 OH2 TIP3 1071 -1.497 -4.183 1.019 1.00 0.00 WT1 O ATOM 6221 H1 TIP3 1071 11.305 4.379 -8.300 1.00 0.00 WT1 H ATOM 6222 H2 TIP3 1071 -18.724 -0.954 -9.958 1.00 0.00 WT1 H ATOM 6223 OH2 TIP3 1072 -6.562 0.586 -1.086 1.00 0.00 WT1 O ATOM 6224 H1 TIP3 1072 8.093 8.868 0.944 1.00 0.00 WT1 H ATOM 6225 H2 TIP3 1072 3.463 7.435 -0.904 1.00 0.00 WT1 H ATOM 6226 OH2 TIP3 1073 1.012 3.521 -2.540 1.00 0.00 WT1 O ATOM 6227 H1 TIP3 1073 -12.543 -9.809 2.678 1.00 0.00 WT1 H ATOM 6228 H2 TIP3 1073 15.698 8.667 17.843 1.00 0.00 WT1 H ATOM 6229 OH2 TIP3 1074 -0.599 -4.499 3.336 1.00 0.00 WT1 O ATOM 6230 H1 TIP3 1074 -5.937 -8.664 7.795 1.00 0.00 WT1 H ATOM 6231 H2 TIP3 1074 -10.080 0.758 5.424 1.00 0.00 WT1 H ATOM 6232 OH2 TIP3 1076 6.028 -3.107 -3.367 1.00 0.00 WT1 O ATOM 6233 H1 TIP3 1076 2.683 2.409 -12.573 1.00 0.00 WT1 H ATOM 6234 H2 TIP3 1076 23.545 1.286 15.428 1.00 0.00 WT1 H ATOM 6235 OH2 TIP3 1077 -1.625 1.040 -6.373 1.00 0.00 WT1 O ATOM 6236 H1 TIP3 1077 -5.660 1.065 17.106 1.00 0.00 WT1 H ATOM 6237 H2 TIP3 1077 -2.360 0.362 2.825 1.00 0.00 WT1 H ATOM 6238 OH2 TIP3 1078 -2.013 3.511 -0.029 1.00 0.00 WT1 O ATOM 6239 H1 TIP3 1078 -0.762 2.281 -14.613 1.00 0.00 WT1 H ATOM 6240 H2 TIP3 1078 12.669 0.652 1.821 1.00 0.00 WT1 H ATOM 6241 OH2 TIP3 1080 -2.846 -3.071 4.565 1.00 0.00 WT1 O ATOM 6242 H1 TIP3 1080 -7.703 -19.469 -6.365 1.00 0.00 WT1 H ATOM 6243 H2 TIP3 1080 -1.886 -2.381 27.816 1.00 0.00 WT1 H ATOM 6244 OH2 TIP3 1081 4.309 -6.258 -0.005 1.00 0.00 WT1 O ATOM 6245 H1 TIP3 1081 0.907 -10.390 -5.793 1.00 0.00 WT1 H ATOM 6246 H2 TIP3 1081 11.218 -2.670 6.835 1.00 0.00 WT1 H ATOM 6247 OH2 TIP3 1084 2.702 -1.355 -6.391 1.00 0.00 WT1 O ATOM 6248 H1 TIP3 1084 -1.255 7.471 -3.397 1.00 0.00 WT1 H ATOM 6249 H2 TIP3 1084 10.245 10.967 -15.221 1.00 0.00 WT1 H ATOM 6250 OH2 TIP3 1085 0.836 0.768 -5.264 1.00 0.00 WT1 O ATOM 6251 H1 TIP3 1085 2.947 1.789 6.198 1.00 0.00 WT1 H ATOM 6252 H2 TIP3 1085 -7.164 0.807 -1.881 1.00 0.00 WT1 H ATOM 6253 OH2 TIP3 1086 -2.486 5.902 5.253 1.00 0.00 WT1 O ATOM 6254 H1 TIP3 1086 6.047 -12.811 7.766 1.00 0.00 WT1 H ATOM 6255 H2 TIP3 1086 -23.350 12.908 10.611 1.00 0.00 WT1 H ATOM 6256 OH2 TIP3 1087 -2.926 4.118 -2.994 1.00 0.00 WT1 O ATOM 6257 H1 TIP3 1087 5.732 7.662 -23.002 1.00 0.00 WT1 H ATOM 6258 H2 TIP3 1087 -5.105 7.945 -6.607 1.00 0.00 WT1 H ATOM 6259 OH2 TIP3 1088 5.845 9.580 0.024 1.00 0.00 WT1 O ATOM 6260 H1 TIP3 1088 15.016 17.137 -8.392 1.00 0.00 WT1 H ATOM 6261 H2 TIP3 1088 -0.065 -5.556 5.673 1.00 0.00 WT1 H ATOM 6262 OH2 TIP3 1089 -2.535 0.713 -0.965 1.00 0.00 WT1 O ATOM 6263 H1 TIP3 1089 -24.008 2.196 -27.480 1.00 0.00 WT1 H ATOM 6264 H2 TIP3 1089 -37.849 -1.663 8.941 1.00 0.00 WT1 H ATOM 6265 OH2 TIP3 1090 2.076 -5.091 -2.850 1.00 0.00 WT1 O ATOM 6266 H1 TIP3 1090 -19.109 -4.032 4.664 1.00 0.00 WT1 H ATOM 6267 H2 TIP3 1090 -10.344 19.238 -12.483 1.00 0.00 WT1 H ATOM 6268 OH2 TIP3 1091 6.151 -1.209 -1.811 1.00 0.00 WT1 O ATOM 6269 H1 TIP3 1091 5.482 8.952 12.788 1.00 0.00 WT1 H ATOM 6270 H2 TIP3 1091 3.957 8.452 -7.238 1.00 0.00 WT1 H ATOM 6271 OH2 TIP3 1092 11.896 -3.130 -7.053 1.00 0.00 WT1 O ATOM 6272 H1 TIP3 1092 -9.118 -6.290 -1.951 1.00 0.00 WT1 H ATOM 6273 H2 TIP3 1092 -4.964 -6.092 -4.706 1.00 0.00 WT1 H ATOM 6274 OH2 TIP3 1093 3.612 -0.627 1.528 1.00 0.00 WT1 O ATOM 6275 H1 TIP3 1093 18.635 -39.529 24.280 1.00 0.00 WT1 H ATOM 6276 H2 TIP3 1093 -9.701 -11.247 -6.597 1.00 0.00 WT1 H ATOM 6277 OH2 TIP3 1094 0.590 3.289 2.273 1.00 0.00 WT1 O ATOM 6278 H1 TIP3 1094 5.492 -8.277 0.247 1.00 0.00 WT1 H ATOM 6279 H2 TIP3 1094 4.557 0.446 0.148 1.00 0.00 WT1 H ATOM 6280 OH2 TIP3 1095 0.339 -0.180 4.204 1.00 0.00 WT1 O ATOM 6281 H1 TIP3 1095 -17.362 1.818 5.658 1.00 0.00 WT1 H ATOM 6282 H2 TIP3 1095 4.260 -2.225 -13.234 1.00 0.00 WT1 H ATOM 6283 OH2 TIP3 1096 -2.921 1.644 1.329 1.00 0.00 WT1 O ATOM 6284 H1 TIP3 1096 4.950 38.125 20.090 1.00 0.00 WT1 H ATOM 6285 H2 TIP3 1096 23.237 30.137 39.498 1.00 0.00 WT1 H ATOM 6286 OH2 TIP3 1097 -1.405 -3.009 1.529 1.00 0.00 WT1 O ATOM 6287 H1 TIP3 1097 -6.430 27.536 -3.058 1.00 0.00 WT1 H ATOM 6288 H2 TIP3 1097 -3.474 -18.198 3.883 1.00 0.00 WT1 H ATOM 6289 OH2 TIP3 1098 1.148 -4.500 -2.687 1.00 0.00 WT1 O ATOM 6290 H1 TIP3 1098 -11.436 -10.477 -15.832 1.00 0.00 WT1 H ATOM 6291 H2 TIP3 1098 17.098 7.341 -9.556 1.00 0.00 WT1 H ATOM 6292 OH2 TIP3 1099 -1.647 3.803 3.986 1.00 0.00 WT1 O ATOM 6293 H1 TIP3 1099 -0.265 3.578 -4.517 1.00 0.00 WT1 H ATOM 6294 H2 TIP3 1099 8.154 9.895 35.724 1.00 0.00 WT1 H ATOM 6295 OH2 TIP3 1100 -2.434 0.842 5.207 1.00 0.00 WT1 O ATOM 6296 H1 TIP3 1100 -16.615 -10.944 21.265 1.00 0.00 WT1 H ATOM 6297 H2 TIP3 1100 -11.607 23.024 5.590 1.00 0.00 WT1 H ATOM 6298 OH2 TIP3 1101 1.076 -6.403 1.569 1.00 0.00 WT1 O ATOM 6299 H1 TIP3 1101 10.189 14.243 3.414 1.00 0.00 WT1 H ATOM 6300 H2 TIP3 1101 15.677 23.021 1.599 1.00 0.00 WT1 H ATOM 6301 OH2 TIP3 1102 3.308 -0.421 -0.073 1.00 0.00 WT1 O ATOM 6302 H1 TIP3 1102 2.283 1.363 1.835 1.00 0.00 WT1 H ATOM 6303 H2 TIP3 1102 0.524 8.374 4.574 1.00 0.00 WT1 H ATOM 6304 OH2 TIP3 1103 -2.309 5.235 -1.783 1.00 0.00 WT1 O ATOM 6305 H1 TIP3 1103 -7.375 10.667 -9.981 1.00 0.00 WT1 H ATOM 6306 H2 TIP3 1103 2.571 7.558 4.356 1.00 0.00 WT1 H ATOM 6307 OH2 TIP3 1104 1.912 -3.884 -0.973 1.00 0.00 WT1 O ATOM 6308 H1 TIP3 1104 3.672 -4.119 5.689 1.00 0.00 WT1 H ATOM 6309 H2 TIP3 1104 0.851 3.325 -2.807 1.00 0.00 WT1 H ATOM 6310 OH2 TIP3 1105 1.263 -0.634 -7.223 1.00 0.00 WT1 O ATOM 6311 H1 TIP3 1105 11.653 10.608 5.995 1.00 0.00 WT1 H ATOM 6312 H2 TIP3 1105 -12.593 7.218 -9.461 1.00 0.00 WT1 H ATOM 6313 OH2 TIP3 1106 -4.346 5.486 3.099 1.00 0.00 WT1 O ATOM 6314 H1 TIP3 1106 -24.378 -10.939 13.191 1.00 0.00 WT1 H ATOM 6315 H2 TIP3 1106 10.742 17.722 -5.058 1.00 0.00 WT1 H ATOM 6316 OH2 TIP3 1107 2.589 2.489 -5.468 1.00 0.00 WT1 O ATOM 6317 H1 TIP3 1107 14.047 -5.379 9.871 1.00 0.00 WT1 H ATOM 6318 H2 TIP3 1107 -2.619 4.025 -14.595 1.00 0.00 WT1 H ATOM 6319 OH2 TIP3 1108 3.681 -4.461 5.130 1.00 0.00 WT1 O ATOM 6320 H1 TIP3 1108 -3.800 9.062 -2.324 1.00 0.00 WT1 H ATOM 6321 H2 TIP3 1108 -5.551 -0.234 9.802 1.00 0.00 WT1 H ATOM 6322 OH2 TIP3 1109 -3.932 5.292 5.655 1.00 0.00 WT1 O ATOM 6323 H1 TIP3 1109 10.034 -5.837 13.084 1.00 0.00 WT1 H ATOM 6324 H2 TIP3 1109 5.075 16.113 -15.003 1.00 0.00 WT1 H ATOM 6325 OH2 TIP3 1110 2.087 2.495 -5.629 1.00 0.00 WT1 O ATOM 6326 H1 TIP3 1110 -1.391 5.348 3.061 1.00 0.00 WT1 H ATOM 6327 H2 TIP3 1110 21.378 -13.991 4.912 1.00 0.00 WT1 H ATOM 6328 OH2 TIP3 1111 7.660 2.131 -0.870 1.00 0.00 WT1 O ATOM 6329 H1 TIP3 1111 1.206 -3.088 -2.172 1.00 0.00 WT1 H ATOM 6330 H2 TIP3 1111 10.698 2.214 -11.488 1.00 0.00 WT1 H ATOM 6331 OH2 TIP3 1112 -1.672 -4.825 -0.596 1.00 0.00 WT1 O ATOM 6332 H1 TIP3 1112 -1.569 -4.007 -1.477 1.00 0.00 WT1 H ATOM 6333 H2 TIP3 1112 -1.338 -6.324 8.573 1.00 0.00 WT1 H ATOM 6334 OH2 TIP3 1113 0.300 -3.679 0.577 1.00 0.00 WT1 O ATOM 6335 H1 TIP3 1113 10.030 10.150 2.727 1.00 0.00 WT1 H ATOM 6336 H2 TIP3 1113 13.088 2.294 -35.007 1.00 0.00 WT1 H ATOM 6337 OH2 TIP3 1114 7.376 2.252 -0.973 1.00 0.00 WT1 O ATOM 6338 H1 TIP3 1114 26.000 23.636 4.729 1.00 0.00 WT1 H ATOM 6339 H2 TIP3 1114 5.546 -7.611 4.942 1.00 0.00 WT1 H ATOM 6340 OH2 TIP3 1115 -0.187 0.582 8.313 1.00 0.00 WT1 O ATOM 6341 H1 TIP3 1115 -0.201 0.660 5.145 1.00 0.00 WT1 H ATOM 6342 H2 TIP3 1115 -2.900 7.261 9.585 1.00 0.00 WT1 H ATOM 6343 OH2 TIP3 1116 -4.227 0.811 2.988 1.00 0.00 WT1 O ATOM 6344 H1 TIP3 1116 10.538 -4.169 12.398 1.00 0.00 WT1 H ATOM 6345 H2 TIP3 1116 -7.895 -9.388 -8.961 1.00 0.00 WT1 H ATOM 6346 OH2 TIP3 1117 4.874 -2.850 -0.143 1.00 0.00 WT1 O ATOM 6347 H1 TIP3 1117 13.977 -0.668 -7.603 1.00 0.00 WT1 H ATOM 6348 H2 TIP3 1117 -4.744 3.766 -8.988 1.00 0.00 WT1 H ATOM 6349 OH2 TIP3 1118 4.367 1.737 1.959 1.00 0.00 WT1 O ATOM 6350 H1 TIP3 1118 -6.481 -8.081 15.666 1.00 0.00 WT1 H ATOM 6351 H2 TIP3 1118 7.647 12.559 -0.077 1.00 0.00 WT1 H ATOM 6352 OH2 TIP3 1119 4.396 1.044 4.722 1.00 0.00 WT1 O ATOM 6353 H1 TIP3 1119 4.447 -8.761 22.635 1.00 0.00 WT1 H ATOM 6354 H2 TIP3 1119 2.694 -2.724 -25.945 1.00 0.00 WT1 H ATOM 6355 OH2 TIP3 1120 1.303 -8.493 -3.299 1.00 0.00 WT1 O ATOM 6356 H1 TIP3 1120 -7.770 -8.319 -15.166 1.00 0.00 WT1 H ATOM 6357 H2 TIP3 1120 -0.364 -7.914 -6.439 1.00 0.00 WT1 H ATOM 6358 OH2 TIP3 1121 0.250 -0.092 3.910 1.00 0.00 WT1 O ATOM 6359 H1 TIP3 1121 6.988 2.187 17.321 1.00 0.00 WT1 H ATOM 6360 H2 TIP3 1121 3.944 5.757 -6.918 1.00 0.00 WT1 H ATOM 6361 OH2 TIP3 1122 0.950 -0.477 -1.613 1.00 0.00 WT1 O ATOM 6362 H1 TIP3 1122 -26.809 -16.882 -20.006 1.00 0.00 WT1 H ATOM 6363 H2 TIP3 1122 18.893 3.237 0.081 1.00 0.00 WT1 H ATOM 6364 OH2 TIP3 1123 -3.313 -0.102 0.252 1.00 0.00 WT1 O ATOM 6365 H1 TIP3 1123 -3.121 -12.245 -4.649 1.00 0.00 WT1 H ATOM 6366 H2 TIP3 1123 -2.086 -6.234 -11.529 1.00 0.00 WT1 H ATOM 6367 OH2 TIP3 1124 -0.473 -2.264 0.505 1.00 0.00 WT1 O ATOM 6368 H1 TIP3 1124 -5.756 -2.477 1.441 1.00 0.00 WT1 H ATOM 6369 H2 TIP3 1124 -4.843 -0.360 3.197 1.00 0.00 WT1 H ATOM 6370 OH2 TIP3 1125 0.405 0.103 7.496 1.00 0.00 WT1 O ATOM 6371 H1 TIP3 1125 -7.777 -5.799 -9.618 1.00 0.00 WT1 H ATOM 6372 H2 TIP3 1125 -4.277 -11.977 25.464 1.00 0.00 WT1 H ATOM 6373 OH2 TIP3 1126 3.011 2.432 -0.066 1.00 0.00 WT1 O ATOM 6374 H1 TIP3 1126 -0.933 -1.697 -4.544 1.00 0.00 WT1 H ATOM 6375 H2 TIP3 1126 -1.360 12.090 -1.109 1.00 0.00 WT1 H ATOM 6376 OH2 TIP3 1129 -0.064 -0.958 -3.723 1.00 0.00 WT1 O ATOM 6377 H1 TIP3 1129 7.933 2.686 0.352 1.00 0.00 WT1 H ATOM 6378 H2 TIP3 1129 10.640 -0.005 0.938 1.00 0.00 WT1 H ATOM 6379 OH2 TIP3 1130 4.789 5.575 1.358 1.00 0.00 WT1 O ATOM 6380 H1 TIP3 1130 -2.525 14.789 32.098 1.00 0.00 WT1 H ATOM 6381 H2 TIP3 1130 4.407 2.040 -10.902 1.00 0.00 WT1 H ATOM 6382 OH2 TIP3 1131 4.256 -0.410 5.411 1.00 0.00 WT1 O ATOM 6383 H1 TIP3 1131 15.473 22.809 -4.438 1.00 0.00 WT1 H ATOM 6384 H2 TIP3 1131 -4.546 6.693 21.236 1.00 0.00 WT1 H ATOM 6385 OH2 TIP3 1132 3.179 3.259 0.690 1.00 0.00 WT1 O ATOM 6386 H1 TIP3 1132 13.719 -4.597 4.648 1.00 0.00 WT1 H ATOM 6387 H2 TIP3 1132 25.912 -17.121 3.625 1.00 0.00 WT1 H ATOM 6388 OH2 TIP3 1133 -3.416 -4.562 -2.563 1.00 0.00 WT1 O ATOM 6389 H1 TIP3 1133 -13.866 6.827 14.995 1.00 0.00 WT1 H ATOM 6390 H2 TIP3 1133 -10.036 -24.145 -13.571 1.00 0.00 WT1 H ATOM 6391 OH2 TIP3 1134 -2.638 6.131 7.127 1.00 0.00 WT1 O ATOM 6392 H1 TIP3 1134 -10.180 -4.335 16.854 1.00 0.00 WT1 H ATOM 6393 H2 TIP3 1134 11.021 -16.992 6.957 1.00 0.00 WT1 H ATOM 6394 OH2 TIP3 1135 -3.967 -2.192 0.741 1.00 0.00 WT1 O ATOM 6395 H1 TIP3 1135 -34.634 -6.919 -1.344 1.00 0.00 WT1 H ATOM 6396 H2 TIP3 1135 3.206 -10.866 9.988 1.00 0.00 WT1 H ATOM 6397 OH2 TIP3 1136 0.965 0.176 -0.510 1.00 0.00 WT1 O ATOM 6398 H1 TIP3 1136 -1.119 5.045 -5.901 1.00 0.00 WT1 H ATOM 6399 H2 TIP3 1136 -4.982 -5.475 2.039 1.00 0.00 WT1 H ATOM 6400 OH2 TIP3 1137 -2.235 3.440 -4.118 1.00 0.00 WT1 O ATOM 6401 H1 TIP3 1137 -0.572 -4.630 6.108 1.00 0.00 WT1 H ATOM 6402 H2 TIP3 1137 7.093 1.089 2.348 1.00 0.00 WT1 H ATOM 6403 OH2 TIP3 1139 4.892 -2.787 -0.767 1.00 0.00 WT1 O ATOM 6404 H1 TIP3 1139 21.695 1.631 -2.900 1.00 0.00 WT1 H ATOM 6405 H2 TIP3 1139 19.528 5.494 4.426 1.00 0.00 WT1 H ATOM 6406 OH2 TIP3 1140 3.566 4.326 0.572 1.00 0.00 WT1 O ATOM 6407 H1 TIP3 1140 8.107 -3.322 -4.085 1.00 0.00 WT1 H ATOM 6408 H2 TIP3 1140 11.061 7.424 -4.308 1.00 0.00 WT1 H ATOM 6409 OH2 TIP3 1141 -1.396 -0.414 2.936 1.00 0.00 WT1 O ATOM 6410 H1 TIP3 1141 -7.425 1.811 -4.188 1.00 0.00 WT1 H ATOM 6411 H2 TIP3 1141 3.285 7.557 4.380 1.00 0.00 WT1 H ATOM 6412 OH2 TIP3 1142 2.043 -1.838 -5.174 1.00 0.00 WT1 O ATOM 6413 H1 TIP3 1142 2.958 0.274 -9.767 1.00 0.00 WT1 H ATOM 6414 H2 TIP3 1142 -0.346 -3.062 -2.274 1.00 0.00 WT1 H ATOM 6415 OH2 TIP3 1143 -4.258 -7.838 0.313 1.00 0.00 WT1 O ATOM 6416 H1 TIP3 1143 -17.221 -21.256 -8.793 1.00 0.00 WT1 H ATOM 6417 H2 TIP3 1143 -9.589 -20.136 -5.358 1.00 0.00 WT1 H ATOM 6418 OH2 TIP3 1144 -6.544 -2.172 0.941 1.00 0.00 WT1 O ATOM 6419 H1 TIP3 1144 -1.561 1.645 4.742 1.00 0.00 WT1 H ATOM 6420 H2 TIP3 1144 -8.194 -7.201 6.520 1.00 0.00 WT1 H ATOM 6421 OH2 TIP3 1146 3.114 1.264 0.141 1.00 0.00 WT1 O ATOM 6422 H1 TIP3 1146 20.154 2.806 7.545 1.00 0.00 WT1 H ATOM 6423 H2 TIP3 1146 1.557 2.125 -9.152 1.00 0.00 WT1 H ATOM 6424 OH2 TIP3 1147 -1.304 4.634 3.910 1.00 0.00 WT1 O ATOM 6425 H1 TIP3 1147 -6.432 3.899 -1.574 1.00 0.00 WT1 H ATOM 6426 H2 TIP3 1147 5.919 -4.665 -18.202 1.00 0.00 WT1 H ATOM 6427 OH2 TIP3 1148 -6.369 -1.105 1.739 1.00 0.00 WT1 O ATOM 6428 H1 TIP3 1148 -1.974 -5.116 -4.118 1.00 0.00 WT1 H ATOM 6429 H2 TIP3 1148 -17.059 -8.680 -5.080 1.00 0.00 WT1 H ATOM 6430 OH2 TIP3 1149 2.239 1.770 -0.530 1.00 0.00 WT1 O ATOM 6431 H1 TIP3 1149 -1.219 -0.483 4.908 1.00 0.00 WT1 H ATOM 6432 H2 TIP3 1149 -2.307 2.562 -6.314 1.00 0.00 WT1 H ATOM 6433 OH2 TIP3 1151 1.608 1.153 1.091 1.00 0.00 WT1 O ATOM 6434 H1 TIP3 1151 19.804 25.779 8.293 1.00 0.00 WT1 H ATOM 6435 H2 TIP3 1151 -1.399 -19.311 -14.773 1.00 0.00 WT1 H ATOM 6436 OH2 TIP3 1152 0.495 -2.423 -4.376 1.00 0.00 WT1 O ATOM 6437 H1 TIP3 1152 8.761 -1.523 4.283 1.00 0.00 WT1 H ATOM 6438 H2 TIP3 1152 -7.131 7.377 12.845 1.00 0.00 WT1 H ATOM 6439 OH2 TIP3 1153 5.111 -1.721 3.419 1.00 0.00 WT1 O ATOM 6440 H1 TIP3 1153 -29.957 8.625 -38.993 1.00 0.00 WT1 H ATOM 6441 H2 TIP3 1153 -10.688 3.660 -4.013 1.00 0.00 WT1 H ATOM 6442 OH2 TIP3 1154 -0.849 3.120 -3.036 1.00 0.00 WT1 O ATOM 6443 H1 TIP3 1154 21.328 -3.959 -1.492 1.00 0.00 WT1 H ATOM 6444 H2 TIP3 1154 8.149 4.663 15.198 1.00 0.00 WT1 H ATOM 6445 OH2 TIP3 1155 2.158 2.320 7.745 1.00 0.00 WT1 O ATOM 6446 H1 TIP3 1155 -9.601 -2.417 11.952 1.00 0.00 WT1 H ATOM 6447 H2 TIP3 1155 7.828 6.697 20.005 1.00 0.00 WT1 H ATOM 6448 OH2 TIP3 1156 -2.058 -3.789 4.701 1.00 0.00 WT1 O ATOM 6449 H1 TIP3 1156 10.440 16.844 4.750 1.00 0.00 WT1 H ATOM 6450 H2 TIP3 1156 -2.178 -17.207 2.248 1.00 0.00 WT1 H ATOM 6451 OH2 TIP3 1157 -0.085 7.564 3.112 1.00 0.00 WT1 O ATOM 6452 H1 TIP3 1157 -8.248 11.113 -2.402 1.00 0.00 WT1 H ATOM 6453 H2 TIP3 1157 -25.228 12.948 -2.526 1.00 0.00 WT1 H ATOM 6454 OH2 TIP3 1158 -1.271 0.633 1.843 1.00 0.00 WT1 O ATOM 6455 H1 TIP3 1158 -14.183 -14.395 -19.354 1.00 0.00 WT1 H ATOM 6456 H2 TIP3 1158 -11.305 -14.530 17.154 1.00 0.00 WT1 H ATOM 6457 OH2 TIP3 1159 -0.811 -3.940 1.605 1.00 0.00 WT1 O ATOM 6458 H1 TIP3 1159 -10.685 45.276 -2.820 1.00 0.00 WT1 H ATOM 6459 H2 TIP3 1159 -3.003 -11.413 4.522 1.00 0.00 WT1 H ATOM 6460 OH2 TIP3 1160 -0.307 -3.724 -4.842 1.00 0.00 WT1 O ATOM 6461 H1 TIP3 1160 1.605 1.697 -8.525 1.00 0.00 WT1 H ATOM 6462 H2 TIP3 1160 -8.695 -14.807 -0.306 1.00 0.00 WT1 H ATOM 6463 OH2 TIP3 1161 1.881 3.260 -2.237 1.00 0.00 WT1 O ATOM 6464 H1 TIP3 1161 -9.984 14.824 7.528 1.00 0.00 WT1 H ATOM 6465 H2 TIP3 1161 20.284 6.760 -21.865 1.00 0.00 WT1 H ATOM 6466 OH2 TIP3 1162 3.063 -3.098 -2.382 1.00 0.00 WT1 O ATOM 6467 H1 TIP3 1162 13.819 -18.122 15.746 1.00 0.00 WT1 H ATOM 6468 H2 TIP3 1162 23.283 -46.579 -0.250 1.00 0.00 WT1 H ATOM 6469 OH2 TIP3 1163 1.418 -4.589 10.721 1.00 0.00 WT1 O ATOM 6470 H1 TIP3 1163 0.602 -7.364 -34.745 1.00 0.00 WT1 H ATOM 6471 H2 TIP3 1163 -11.167 -21.226 -3.573 1.00 0.00 WT1 H ATOM 6472 OH2 TIP3 1164 -7.130 -1.561 -0.784 1.00 0.00 WT1 O ATOM 6473 H1 TIP3 1164 -7.860 5.751 6.977 1.00 0.00 WT1 H ATOM 6474 H2 TIP3 1164 -11.140 -15.090 11.384 1.00 0.00 WT1 H ATOM 6475 OH2 TIP3 1165 5.988 -2.890 -4.827 1.00 0.00 WT1 O ATOM 6476 H1 TIP3 1165 -4.908 5.946 16.212 1.00 0.00 WT1 H ATOM 6477 H2 TIP3 1165 -5.185 1.093 4.999 1.00 0.00 WT1 H ATOM 6478 OH2 TIP3 1166 3.423 0.307 0.068 1.00 0.00 WT1 O ATOM 6479 H1 TIP3 1166 2.462 12.082 -10.712 1.00 0.00 WT1 H ATOM 6480 H2 TIP3 1166 -8.960 -31.501 30.153 1.00 0.00 WT1 H ATOM 6481 OH2 TIP3 1167 1.284 8.984 2.989 1.00 0.00 WT1 O ATOM 6482 H1 TIP3 1167 3.990 10.417 9.438 1.00 0.00 WT1 H ATOM 6483 H2 TIP3 1167 8.448 11.994 6.223 1.00 0.00 WT1 H ATOM 6484 OH2 TIP3 1168 -5.422 -0.145 -1.173 1.00 0.00 WT1 O ATOM 6485 H1 TIP3 1168 -3.531 4.177 13.283 1.00 0.00 WT1 H ATOM 6486 H2 TIP3 1168 -20.940 -8.671 7.732 1.00 0.00 WT1 H ATOM 6487 OH2 TIP3 1169 -7.172 1.581 1.961 1.00 0.00 WT1 O ATOM 6488 H1 TIP3 1169 -11.618 -1.013 5.895 1.00 0.00 WT1 H ATOM 6489 H2 TIP3 1169 -10.687 4.034 -1.639 1.00 0.00 WT1 H ATOM 6490 OH2 TIP3 1170 -2.967 -1.679 -0.270 1.00 0.00 WT1 O ATOM 6491 H1 TIP3 1170 -19.518 -27.840 0.820 1.00 0.00 WT1 H ATOM 6492 H2 TIP3 1170 -16.592 1.685 -19.362 1.00 0.00 WT1 H ATOM 6493 OH2 TIP3 1171 -4.980 4.041 -2.077 1.00 0.00 WT1 O ATOM 6494 H1 TIP3 1171 6.906 -23.375 -8.586 1.00 0.00 WT1 H ATOM 6495 H2 TIP3 1171 8.206 -20.945 -13.066 1.00 0.00 WT1 H ATOM 6496 OH2 TIP3 1172 6.771 2.694 6.034 1.00 0.00 WT1 O ATOM 6497 H1 TIP3 1172 -10.353 21.154 -9.728 1.00 0.00 WT1 H ATOM 6498 H2 TIP3 1172 13.346 -9.844 -19.201 1.00 0.00 WT1 H ATOM 6499 OH2 TIP3 1173 0.757 8.166 0.312 1.00 0.00 WT1 O ATOM 6500 H1 TIP3 1173 12.945 15.352 -11.891 1.00 0.00 WT1 H ATOM 6501 H2 TIP3 1173 -6.457 -11.687 13.732 1.00 0.00 WT1 H ATOM 6502 OH2 TIP3 1174 2.577 5.952 1.940 1.00 0.00 WT1 O ATOM 6503 H1 TIP3 1174 6.114 -7.249 27.927 1.00 0.00 WT1 H ATOM 6504 H2 TIP3 1174 0.154 4.927 9.417 1.00 0.00 WT1 H ATOM 6505 OH2 TIP3 1175 4.623 4.900 -5.511 1.00 0.00 WT1 O ATOM 6506 H1 TIP3 1175 -5.342 4.035 14.192 1.00 0.00 WT1 H ATOM 6507 H2 TIP3 1175 12.827 -5.933 -3.760 1.00 0.00 WT1 H ATOM 6508 OH2 TIP3 1176 4.233 -6.760 4.994 1.00 0.00 WT1 O ATOM 6509 H1 TIP3 1176 3.589 -5.933 -0.095 1.00 0.00 WT1 H ATOM 6510 H2 TIP3 1176 3.350 -7.606 5.137 1.00 0.00 WT1 H ATOM 6511 OH2 TIP3 1177 -0.641 -2.656 -7.851 1.00 0.00 WT1 O ATOM 6512 H1 TIP3 1177 -12.238 6.715 7.277 1.00 0.00 WT1 H ATOM 6513 H2 TIP3 1177 12.714 -3.966 0.691 1.00 0.00 WT1 H ATOM 6514 OH2 TIP3 1178 3.924 -7.825 2.337 1.00 0.00 WT1 O ATOM 6515 H1 TIP3 1178 3.803 6.717 24.795 1.00 0.00 WT1 H ATOM 6516 H2 TIP3 1178 2.553 -22.202 -17.600 1.00 0.00 WT1 H ATOM 6517 OH2 TIP3 1179 0.925 -7.619 -5.683 1.00 0.00 WT1 O ATOM 6518 H1 TIP3 1179 -7.497 -5.460 2.651 1.00 0.00 WT1 H ATOM 6519 H2 TIP3 1179 4.497 -6.638 -6.356 1.00 0.00 WT1 H ATOM 6520 OH2 TIP3 1180 -2.076 4.504 -2.896 1.00 0.00 WT1 O ATOM 6521 H1 TIP3 1180 2.653 -13.622 2.874 1.00 0.00 WT1 H ATOM 6522 H2 TIP3 1180 5.776 -12.505 -6.381 1.00 0.00 WT1 H ATOM 6523 OH2 TIP3 1181 2.982 4.133 0.274 1.00 0.00 WT1 O ATOM 6524 H1 TIP3 1181 18.155 9.002 -5.250 1.00 0.00 WT1 H ATOM 6525 H2 TIP3 1181 -22.304 -11.125 4.600 1.00 0.00 WT1 H ATOM 6526 OH2 TIP3 1182 0.864 -8.945 -1.511 1.00 0.00 WT1 O ATOM 6527 H1 TIP3 1182 -27.206 8.446 -38.182 1.00 0.00 WT1 H ATOM 6528 H2 TIP3 1182 -10.813 -9.469 -0.926 1.00 0.00 WT1 H ATOM 6529 OH2 TIP3 1183 -0.993 0.199 -3.997 1.00 0.00 WT1 O ATOM 6530 H1 TIP3 1183 3.775 7.269 10.008 1.00 0.00 WT1 H ATOM 6531 H2 TIP3 1183 -9.981 9.115 4.630 1.00 0.00 WT1 H ATOM 6532 OH2 TIP3 1184 6.791 -2.667 -1.361 1.00 0.00 WT1 O ATOM 6533 H1 TIP3 1184 3.953 -3.557 2.974 1.00 0.00 WT1 H ATOM 6534 H2 TIP3 1184 7.054 -3.182 1.725 1.00 0.00 WT1 H ATOM 6535 OH2 TIP3 1185 1.642 -1.392 4.089 1.00 0.00 WT1 O ATOM 6536 H1 TIP3 1185 11.353 9.703 -7.850 1.00 0.00 WT1 H ATOM 6537 H2 TIP3 1185 15.179 -19.832 5.505 1.00 0.00 WT1 H ATOM 6538 OH2 TIP3 1186 2.127 -3.185 -3.894 1.00 0.00 WT1 O ATOM 6539 H1 TIP3 1186 -13.880 -15.957 8.923 1.00 0.00 WT1 H ATOM 6540 H2 TIP3 1186 5.440 1.572 -8.700 1.00 0.00 WT1 H ATOM 6541 OH2 TIP3 1188 3.518 4.434 2.536 1.00 0.00 WT1 O ATOM 6542 H1 TIP3 1188 -3.683 -2.650 -11.122 1.00 0.00 WT1 H ATOM 6543 H2 TIP3 1188 -4.022 7.073 -0.187 1.00 0.00 WT1 H ATOM 6544 OH2 TIP3 1189 0.820 0.778 4.060 1.00 0.00 WT1 O ATOM 6545 H1 TIP3 1189 -10.227 3.524 -20.856 1.00 0.00 WT1 H ATOM 6546 H2 TIP3 1189 20.888 27.762 12.107 1.00 0.00 WT1 H ATOM 6547 OH2 TIP3 1190 -5.357 2.875 3.847 1.00 0.00 WT1 O ATOM 6548 H1 TIP3 1190 5.199 5.506 -15.679 1.00 0.00 WT1 H ATOM 6549 H2 TIP3 1190 4.254 -9.992 16.768 1.00 0.00 WT1 H ATOM 6550 OH2 TIP3 1191 5.291 -3.636 3.498 1.00 0.00 WT1 O ATOM 6551 H1 TIP3 1191 -2.049 -11.845 -10.697 1.00 0.00 WT1 H ATOM 6552 H2 TIP3 1191 -3.413 3.593 -12.600 1.00 0.00 WT1 H ATOM 6553 OH2 TIP3 1192 -0.777 2.721 0.765 1.00 0.00 WT1 O ATOM 6554 H1 TIP3 1192 13.377 -6.120 15.810 1.00 0.00 WT1 H ATOM 6555 H2 TIP3 1192 -4.744 -7.933 -30.205 1.00 0.00 WT1 H ATOM 6556 OH2 TIP3 1194 1.426 0.845 -4.457 1.00 0.00 WT1 O ATOM 6557 H1 TIP3 1194 3.218 -5.274 -11.838 1.00 0.00 WT1 H ATOM 6558 H2 TIP3 1194 1.479 -5.160 -16.083 1.00 0.00 WT1 H ATOM 6559 OH2 TIP3 1195 -3.155 0.337 1.541 1.00 0.00 WT1 O ATOM 6560 H1 TIP3 1195 -6.042 18.895 9.926 1.00 0.00 WT1 H ATOM 6561 H2 TIP3 1195 -24.010 -16.245 14.022 1.00 0.00 WT1 H ATOM 6562 OH2 TIP3 1196 5.298 4.045 5.115 1.00 0.00 WT1 O ATOM 6563 H1 TIP3 1196 0.275 9.687 -7.181 1.00 0.00 WT1 H ATOM 6564 H2 TIP3 1196 4.477 4.647 -8.824 1.00 0.00 WT1 H ATOM 6565 OH2 TIP3 1197 -4.753 2.761 -4.567 1.00 0.00 WT1 O ATOM 6566 H1 TIP3 1197 -1.667 9.600 9.668 1.00 0.00 WT1 H ATOM 6567 H2 TIP3 1197 8.911 -5.483 -10.312 1.00 0.00 WT1 H ATOM 6568 OH2 TIP3 1198 3.600 -0.926 -7.333 1.00 0.00 WT1 O ATOM 6569 H1 TIP3 1198 4.216 13.187 -12.438 1.00 0.00 WT1 H ATOM 6570 H2 TIP3 1198 12.569 1.289 0.709 1.00 0.00 WT1 H ATOM 6571 OH2 TIP3 1199 0.995 -3.341 -1.870 1.00 0.00 WT1 O ATOM 6572 H1 TIP3 1199 6.009 -18.661 -6.168 1.00 0.00 WT1 H ATOM 6573 H2 TIP3 1199 20.048 1.225 -3.984 1.00 0.00 WT1 H ATOM 6574 OH2 TIP3 1200 1.014 4.013 2.969 1.00 0.00 WT1 O ATOM 6575 H1 TIP3 1200 17.193 12.046 -4.635 1.00 0.00 WT1 H ATOM 6576 H2 TIP3 1200 0.360 3.231 -2.459 1.00 0.00 WT1 H ATOM 6577 OH2 TIP3 1201 7.288 -6.101 5.228 1.00 0.00 WT1 O ATOM 6578 H1 TIP3 1201 14.744 1.639 7.049 1.00 0.00 WT1 H ATOM 6579 H2 TIP3 1201 -0.539 -6.871 19.330 1.00 0.00 WT1 H ATOM 6580 OH2 TIP3 1202 4.994 0.798 -5.723 1.00 0.00 WT1 O ATOM 6581 H1 TIP3 1202 -20.176 -6.978 -6.737 1.00 0.00 WT1 H ATOM 6582 H2 TIP3 1202 -2.746 -0.363 13.731 1.00 0.00 WT1 H ATOM 6583 OH2 TIP3 1203 1.444 -0.717 -0.946 1.00 0.00 WT1 O ATOM 6584 H1 TIP3 1203 -2.224 0.263 1.243 1.00 0.00 WT1 H ATOM 6585 H2 TIP3 1203 6.758 14.440 -1.820 1.00 0.00 WT1 H ATOM 6586 OH2 TIP3 1204 0.643 -7.126 -1.746 1.00 0.00 WT1 O ATOM 6587 H1 TIP3 1204 -18.176 1.220 13.834 1.00 0.00 WT1 H ATOM 6588 H2 TIP3 1204 0.396 -2.034 -11.033 1.00 0.00 WT1 H ATOM 6589 OH2 TIP3 1205 3.433 -5.654 -1.882 1.00 0.00 WT1 O ATOM 6590 H1 TIP3 1205 5.805 -22.678 -12.703 1.00 0.00 WT1 H ATOM 6591 H2 TIP3 1205 -11.696 13.625 -7.453 1.00 0.00 WT1 H ATOM 6592 OH2 TIP3 1206 4.710 -5.659 -2.785 1.00 0.00 WT1 O ATOM 6593 H1 TIP3 1206 -5.335 -3.168 2.445 1.00 0.00 WT1 H ATOM 6594 H2 TIP3 1206 -15.256 -1.943 5.089 1.00 0.00 WT1 H ATOM 6595 OH2 TIP3 1207 -4.991 4.430 -2.334 1.00 0.00 WT1 O ATOM 6596 H1 TIP3 1207 1.554 -4.241 31.335 1.00 0.00 WT1 H ATOM 6597 H2 TIP3 1207 -0.398 -26.471 -21.645 1.00 0.00 WT1 H ATOM 6598 OH2 TIP3 1208 0.065 3.153 1.083 1.00 0.00 WT1 O ATOM 6599 H1 TIP3 1208 -8.449 -2.907 0.312 1.00 0.00 WT1 H ATOM 6600 H2 TIP3 1208 -18.033 1.160 -5.103 1.00 0.00 WT1 H ATOM 6601 OH2 TIP3 1209 -1.308 0.719 3.287 1.00 0.00 WT1 O ATOM 6602 H1 TIP3 1209 -0.314 2.065 -5.903 1.00 0.00 WT1 H ATOM 6603 H2 TIP3 1209 6.559 -0.782 6.247 1.00 0.00 WT1 H ATOM 6604 OH2 TIP3 1210 0.151 -9.685 1.180 1.00 0.00 WT1 O ATOM 6605 H1 TIP3 1210 4.787 -3.770 -3.135 1.00 0.00 WT1 H ATOM 6606 H2 TIP3 1210 2.472 0.723 -10.835 1.00 0.00 WT1 H ATOM 6607 OH2 TIP3 1211 4.216 2.344 -0.252 1.00 0.00 WT1 O ATOM 6608 H1 TIP3 1211 1.610 0.527 -22.612 1.00 0.00 WT1 H ATOM 6609 H2 TIP3 1211 11.399 -9.857 -9.896 1.00 0.00 WT1 H ATOM 6610 OH2 TIP3 1212 5.069 7.540 6.805 1.00 0.00 WT1 O ATOM 6611 H1 TIP3 1212 6.179 22.582 9.893 1.00 0.00 WT1 H ATOM 6612 H2 TIP3 1212 -5.234 0.184 14.388 1.00 0.00 WT1 H ATOM 6613 OH2 TIP3 1213 -1.895 3.720 -7.440 1.00 0.00 WT1 O ATOM 6614 H1 TIP3 1213 8.423 -14.988 1.634 1.00 0.00 WT1 H ATOM 6615 H2 TIP3 1213 15.989 21.325 -7.845 1.00 0.00 WT1 H ATOM 6616 OH2 TIP3 1214 2.149 -4.552 3.002 1.00 0.00 WT1 O ATOM 6617 H1 TIP3 1214 5.305 13.568 0.325 1.00 0.00 WT1 H ATOM 6618 H2 TIP3 1214 7.169 24.335 -1.080 1.00 0.00 WT1 H ATOM 6619 OH2 TIP3 1215 -0.826 0.118 5.115 1.00 0.00 WT1 O ATOM 6620 H1 TIP3 1215 30.953 -21.879 -12.090 1.00 0.00 WT1 H ATOM 6621 H2 TIP3 1215 21.361 -4.766 0.811 1.00 0.00 WT1 H ATOM 6622 OH2 TIP3 1216 4.793 5.857 0.879 1.00 0.00 WT1 O ATOM 6623 H1 TIP3 1216 14.177 2.825 7.063 1.00 0.00 WT1 H ATOM 6624 H2 TIP3 1216 -7.810 11.495 -8.546 1.00 0.00 WT1 H ATOM 6625 OH2 TIP3 1217 -2.135 -2.033 0.966 1.00 0.00 WT1 O ATOM 6626 H1 TIP3 1217 -29.662 29.704 11.162 1.00 0.00 WT1 H ATOM 6627 H2 TIP3 1217 2.240 -9.636 5.344 1.00 0.00 WT1 H ATOM 6628 OH2 TIP3 1218 -0.908 0.029 -3.063 1.00 0.00 WT1 O ATOM 6629 H1 TIP3 1218 -0.512 -0.225 -0.556 1.00 0.00 WT1 H ATOM 6630 H2 TIP3 1218 -9.069 -1.537 14.793 1.00 0.00 WT1 H ATOM 6631 OH2 TIP3 1219 0.642 5.285 -4.351 1.00 0.00 WT1 O ATOM 6632 H1 TIP3 1219 20.166 7.365 -10.970 1.00 0.00 WT1 H ATOM 6633 H2 TIP3 1219 28.080 5.799 -12.069 1.00 0.00 WT1 H ATOM 6634 OH2 TIP3 1220 -1.148 0.012 0.084 1.00 0.00 WT1 O ATOM 6635 H1 TIP3 1220 -20.199 -22.123 20.341 1.00 0.00 WT1 H ATOM 6636 H2 TIP3 1220 17.951 17.801 -17.250 1.00 0.00 WT1 H ATOM 6637 OH2 TIP3 1221 5.687 -4.011 2.674 1.00 0.00 WT1 O ATOM 6638 H1 TIP3 1221 18.526 -3.305 -4.863 1.00 0.00 WT1 H ATOM 6639 H2 TIP3 1221 -14.636 -16.559 7.466 1.00 0.00 WT1 H ATOM 6640 OH2 TIP3 1222 -2.721 0.052 -2.189 1.00 0.00 WT1 O ATOM 6641 H1 TIP3 1222 20.237 -34.814 2.808 1.00 0.00 WT1 H ATOM 6642 H2 TIP3 1222 -6.919 -2.605 -28.462 1.00 0.00 WT1 H ATOM 6643 OH2 TIP3 1223 2.582 7.629 -2.201 1.00 0.00 WT1 O ATOM 6644 H1 TIP3 1223 17.623 11.127 -44.504 1.00 0.00 WT1 H ATOM 6645 H2 TIP3 1223 -29.737 -5.072 2.920 1.00 0.00 WT1 H ATOM 6646 OH2 TIP3 1224 -1.777 4.396 6.834 1.00 0.00 WT1 O ATOM 6647 H1 TIP3 1224 2.379 4.284 14.476 1.00 0.00 WT1 H ATOM 6648 H2 TIP3 1224 10.383 -19.482 2.200 1.00 0.00 WT1 H ATOM 6649 OH2 TIP3 1225 0.836 -10.666 -2.137 1.00 0.00 WT1 O ATOM 6650 H1 TIP3 1225 -27.220 24.227 -15.516 1.00 0.00 WT1 H ATOM 6651 H2 TIP3 1225 3.464 -9.713 -6.274 1.00 0.00 WT1 H ATOM 6652 OH2 TIP3 1226 4.311 0.966 2.700 1.00 0.00 WT1 O ATOM 6653 H1 TIP3 1226 3.623 -5.432 13.290 1.00 0.00 WT1 H ATOM 6654 H2 TIP3 1226 5.007 0.246 2.314 1.00 0.00 WT1 H ATOM 6655 OH2 TIP3 1227 2.915 -1.650 3.205 1.00 0.00 WT1 O ATOM 6656 H1 TIP3 1227 -3.827 18.907 -11.617 1.00 0.00 WT1 H ATOM 6657 H2 TIP3 1227 -5.283 20.104 1.106 1.00 0.00 WT1 H ATOM 6658 OH2 TIP3 1228 1.502 -1.661 -1.019 1.00 0.00 WT1 O ATOM 6659 H1 TIP3 1228 8.281 16.629 -4.240 1.00 0.00 WT1 H ATOM 6660 H2 TIP3 1228 -4.349 -15.656 -24.992 1.00 0.00 WT1 H ATOM 6661 OH2 TIP3 1229 -10.418 -4.647 -0.125 1.00 0.00 WT1 O ATOM 6662 H1 TIP3 1229 -14.368 5.300 -0.522 1.00 0.00 WT1 H ATOM 6663 H2 TIP3 1229 -5.982 0.798 -3.405 1.00 0.00 WT1 H ATOM 6664 OH2 TIP3 1230 2.084 5.806 3.679 1.00 0.00 WT1 O ATOM 6665 H1 TIP3 1230 -8.137 -6.801 -14.411 1.00 0.00 WT1 H ATOM 6666 H2 TIP3 1230 4.423 3.188 -7.835 1.00 0.00 WT1 H ATOM 6667 OH2 TIP3 1231 -3.061 2.652 2.820 1.00 0.00 WT1 O ATOM 6668 H1 TIP3 1231 -13.061 0.330 8.551 1.00 0.00 WT1 H ATOM 6669 H2 TIP3 1231 10.110 -0.674 -5.577 1.00 0.00 WT1 H ATOM 6670 OH2 TIP3 1233 1.241 -2.086 -9.957 1.00 0.00 WT1 O ATOM 6671 H1 TIP3 1233 12.025 15.292 12.360 1.00 0.00 WT1 H ATOM 6672 H2 TIP3 1233 -8.544 4.657 -0.194 1.00 0.00 WT1 H ATOM 6673 OH2 TIP3 1234 -1.028 3.446 -5.483 1.00 0.00 WT1 O ATOM 6674 H1 TIP3 1234 1.255 -0.172 -6.129 1.00 0.00 WT1 H ATOM 6675 H2 TIP3 1234 -14.815 26.549 -5.122 1.00 0.00 WT1 H ATOM 6676 OH2 TIP3 1235 3.374 4.317 -0.274 1.00 0.00 WT1 O ATOM 6677 H1 TIP3 1235 -21.496 -7.207 -2.615 1.00 0.00 WT1 H ATOM 6678 H2 TIP3 1235 13.826 33.524 -4.453 1.00 0.00 WT1 H ATOM 6679 OH2 TIP3 1236 4.446 3.590 1.056 1.00 0.00 WT1 O ATOM 6680 H1 TIP3 1236 -4.203 7.699 11.131 1.00 0.00 WT1 H ATOM 6681 H2 TIP3 1236 9.485 -0.568 -5.710 1.00 0.00 WT1 H ATOM 6682 OH2 TIP3 1237 3.425 6.869 9.537 1.00 0.00 WT1 O ATOM 6683 H1 TIP3 1237 3.878 4.787 17.362 1.00 0.00 WT1 H ATOM 6684 H2 TIP3 1237 8.663 -10.680 9.549 1.00 0.00 WT1 H ATOM 6685 OH2 TIP3 1238 -2.315 1.108 -5.670 1.00 0.00 WT1 O ATOM 6686 H1 TIP3 1238 2.102 -14.479 21.249 1.00 0.00 WT1 H ATOM 6687 H2 TIP3 1238 -6.687 9.002 -4.271 1.00 0.00 WT1 H ATOM 6688 OH2 TIP3 1239 -8.852 -0.848 1.845 1.00 0.00 WT1 O ATOM 6689 H1 TIP3 1239 9.890 0.641 -10.961 1.00 0.00 WT1 H ATOM 6690 H2 TIP3 1239 -5.697 -9.196 9.476 1.00 0.00 WT1 H ATOM 6691 OH2 TIP3 1240 0.566 -1.111 -0.905 1.00 0.00 WT1 O ATOM 6692 H1 TIP3 1240 -22.367 8.991 -7.284 1.00 0.00 WT1 H ATOM 6693 H2 TIP3 1240 3.079 -8.664 1.763 1.00 0.00 WT1 H ATOM 6694 OH2 TIP3 1242 1.006 -0.819 -5.654 1.00 0.00 WT1 O ATOM 6695 H1 TIP3 1242 -19.611 8.616 -25.410 1.00 0.00 WT1 H ATOM 6696 H2 TIP3 1242 13.618 -7.252 5.341 1.00 0.00 WT1 H ATOM 6697 OH2 TIP3 1243 -0.529 1.326 2.349 1.00 0.00 WT1 O ATOM 6698 H1 TIP3 1243 -20.420 -9.317 -4.958 1.00 0.00 WT1 H ATOM 6699 H2 TIP3 1243 -12.338 20.469 2.049 1.00 0.00 WT1 H ATOM 6700 OH2 TIP3 1244 6.710 1.663 3.899 1.00 0.00 WT1 O ATOM 6701 H1 TIP3 1244 24.957 3.859 -21.633 1.00 0.00 WT1 H ATOM 6702 H2 TIP3 1244 18.027 -21.715 22.693 1.00 0.00 WT1 H ATOM 6703 OH2 TIP3 1245 -0.904 3.274 -2.439 1.00 0.00 WT1 O ATOM 6704 H1 TIP3 1245 1.527 17.022 0.417 1.00 0.00 WT1 H ATOM 6705 H2 TIP3 1245 3.731 7.849 -16.281 1.00 0.00 WT1 H ATOM 6706 OH2 TIP3 1246 3.992 3.472 3.625 1.00 0.00 WT1 O ATOM 6707 H1 TIP3 1246 11.483 -3.086 -13.059 1.00 0.00 WT1 H ATOM 6708 H2 TIP3 1246 -9.896 18.195 0.084 1.00 0.00 WT1 H ATOM 6709 OH2 TIP3 1247 5.465 0.135 -4.301 1.00 0.00 WT1 O ATOM 6710 H1 TIP3 1247 -14.719 -7.444 10.064 1.00 0.00 WT1 H ATOM 6711 H2 TIP3 1247 -22.414 -25.550 -0.993 1.00 0.00 WT1 H ATOM 6712 OH2 TIP3 1248 5.405 0.112 5.048 1.00 0.00 WT1 O ATOM 6713 H1 TIP3 1248 4.110 1.694 -12.886 1.00 0.00 WT1 H ATOM 6714 H2 TIP3 1248 19.274 -4.487 8.736 1.00 0.00 WT1 H ATOM 6715 OH2 TIP3 1249 -6.911 -2.393 -4.222 1.00 0.00 WT1 O ATOM 6716 H1 TIP3 1249 6.549 -3.826 -7.273 1.00 0.00 WT1 H ATOM 6717 H2 TIP3 1249 8.799 -4.121 -7.621 1.00 0.00 WT1 H ATOM 6718 OH2 TIP3 1250 0.411 -1.913 -0.391 1.00 0.00 WT1 O ATOM 6719 H1 TIP3 1250 -4.850 -9.305 19.163 1.00 0.00 WT1 H ATOM 6720 H2 TIP3 1250 5.735 -2.746 -10.758 1.00 0.00 WT1 H ATOM 6721 OH2 TIP3 1253 -6.809 -6.811 0.169 1.00 0.00 WT1 O ATOM 6722 H1 TIP3 1253 15.531 -1.533 -16.482 1.00 0.00 WT1 H ATOM 6723 H2 TIP3 1253 -6.433 -14.681 2.265 1.00 0.00 WT1 H ATOM 6724 OH2 TIP3 1254 6.119 0.998 2.607 1.00 0.00 WT1 O ATOM 6725 H1 TIP3 1254 39.762 -9.692 25.437 1.00 0.00 WT1 H ATOM 6726 H2 TIP3 1254 12.215 -2.159 2.156 1.00 0.00 WT1 H ATOM 6727 OH2 TIP3 1255 -2.626 2.598 3.796 1.00 0.00 WT1 O ATOM 6728 H1 TIP3 1255 3.706 11.773 -1.957 1.00 0.00 WT1 H ATOM 6729 H2 TIP3 1255 -1.045 -7.376 -4.161 1.00 0.00 WT1 H ATOM 6730 OH2 TIP3 1256 -1.620 4.616 -2.256 1.00 0.00 WT1 O ATOM 6731 H1 TIP3 1256 -10.542 -12.401 3.472 1.00 0.00 WT1 H ATOM 6732 H2 TIP3 1256 18.218 14.692 -9.419 1.00 0.00 WT1 H ATOM 6733 OH2 TIP3 1257 3.475 4.812 2.978 1.00 0.00 WT1 O ATOM 6734 H1 TIP3 1257 10.495 13.228 -37.370 1.00 0.00 WT1 H ATOM 6735 H2 TIP3 1257 14.317 -24.683 -27.695 1.00 0.00 WT1 H ATOM 6736 OH2 TIP3 1258 -8.635 -4.933 1.041 1.00 0.00 WT1 O ATOM 6737 H1 TIP3 1258 -9.099 -13.132 -5.406 1.00 0.00 WT1 H ATOM 6738 H2 TIP3 1258 -15.024 -10.784 0.086 1.00 0.00 WT1 H ATOM 6739 OH2 TIP3 1259 1.047 -3.659 4.572 1.00 0.00 WT1 O ATOM 6740 H1 TIP3 1259 5.180 -7.264 3.208 1.00 0.00 WT1 H ATOM 6741 H2 TIP3 1259 0.111 -14.735 -9.020 1.00 0.00 WT1 H ATOM 6742 OH2 TIP3 1260 -1.004 -5.992 -3.275 1.00 0.00 WT1 O ATOM 6743 H1 TIP3 1260 -20.461 7.661 3.398 1.00 0.00 WT1 H ATOM 6744 H2 TIP3 1260 -14.741 0.922 0.771 1.00 0.00 WT1 H ATOM 6745 OH2 TIP3 1261 -4.127 -7.905 2.385 1.00 0.00 WT1 O ATOM 6746 H1 TIP3 1261 -18.887 2.032 -7.131 1.00 0.00 WT1 H ATOM 6747 H2 TIP3 1261 -2.666 -10.256 8.960 1.00 0.00 WT1 H ATOM 6748 OH2 TIP3 1262 -0.193 1.813 5.224 1.00 0.00 WT1 O ATOM 6749 H1 TIP3 1262 -7.245 -19.287 0.223 1.00 0.00 WT1 H ATOM 6750 H2 TIP3 1262 -20.604 -10.635 10.322 1.00 0.00 WT1 H ATOM 6751 OH2 TIP3 1263 4.294 9.699 -1.388 1.00 0.00 WT1 O ATOM 6752 H1 TIP3 1263 -0.125 14.004 -15.658 1.00 0.00 WT1 H ATOM 6753 H2 TIP3 1263 -0.305 8.767 2.099 1.00 0.00 WT1 H ATOM 6754 OH2 TIP3 1264 -6.288 -0.420 -0.831 1.00 0.00 WT1 O ATOM 6755 H1 TIP3 1264 -30.568 17.470 6.156 1.00 0.00 WT1 H ATOM 6756 H2 TIP3 1264 1.487 7.452 -29.571 1.00 0.00 WT1 H ATOM 6757 OH2 TIP3 1265 -1.909 -1.270 5.099 1.00 0.00 WT1 O ATOM 6758 H1 TIP3 1265 3.521 -2.368 -6.509 1.00 0.00 WT1 H ATOM 6759 H2 TIP3 1265 -1.382 6.926 6.213 1.00 0.00 WT1 H ATOM 6760 OH2 TIP3 1266 -0.153 1.524 -3.182 1.00 0.00 WT1 O ATOM 6761 H1 TIP3 1266 -13.711 18.196 2.929 1.00 0.00 WT1 H ATOM 6762 H2 TIP3 1266 -6.903 8.695 0.984 1.00 0.00 WT1 H ATOM 6763 OH2 TIP3 1267 -4.262 -0.283 3.182 1.00 0.00 WT1 O ATOM 6764 H1 TIP3 1267 7.290 -5.369 21.458 1.00 0.00 WT1 H ATOM 6765 H2 TIP3 1267 -7.436 -1.680 0.424 1.00 0.00 WT1 H ATOM 6766 OH2 TIP3 1268 -1.303 -5.365 -4.766 1.00 0.00 WT1 O ATOM 6767 H1 TIP3 1268 -12.119 -4.991 11.426 1.00 0.00 WT1 H ATOM 6768 H2 TIP3 1268 6.416 6.073 -12.530 1.00 0.00 WT1 H ATOM 6769 OH2 TIP3 1269 -0.917 5.158 6.068 1.00 0.00 WT1 O ATOM 6770 H1 TIP3 1269 9.550 28.096 2.217 1.00 0.00 WT1 H ATOM 6771 H2 TIP3 1269 -9.466 -10.302 9.165 1.00 0.00 WT1 H ATOM 6772 OH2 TIP3 1270 5.370 -3.521 1.961 1.00 0.00 WT1 O ATOM 6773 H1 TIP3 1270 8.698 0.103 -0.084 1.00 0.00 WT1 H ATOM 6774 H2 TIP3 1270 -22.717 -6.613 12.474 1.00 0.00 WT1 H ATOM 6775 OH2 TIP3 1271 3.481 -1.051 2.646 1.00 0.00 WT1 O ATOM 6776 H1 TIP3 1271 5.102 -4.897 -3.018 1.00 0.00 WT1 H ATOM 6777 H2 TIP3 1271 4.395 5.006 -21.273 1.00 0.00 WT1 H ATOM 6778 OH2 TIP3 1272 1.487 -4.120 -1.861 1.00 0.00 WT1 O ATOM 6779 H1 TIP3 1272 16.507 -9.758 -3.162 1.00 0.00 WT1 H ATOM 6780 H2 TIP3 1272 -9.154 -8.326 -7.234 1.00 0.00 WT1 H ATOM 6781 OH2 TIP3 1273 1.103 -0.152 4.892 1.00 0.00 WT1 O ATOM 6782 H1 TIP3 1273 14.005 2.385 3.824 1.00 0.00 WT1 H ATOM 6783 H2 TIP3 1273 -14.213 -12.993 -11.803 1.00 0.00 WT1 H ATOM 6784 OH2 TIP3 1274 -2.505 0.911 0.897 1.00 0.00 WT1 O ATOM 6785 H1 TIP3 1274 5.446 2.111 10.135 1.00 0.00 WT1 H ATOM 6786 H2 TIP3 1274 6.430 16.108 22.729 1.00 0.00 WT1 H ATOM 6787 OH2 TIP3 1275 1.233 4.590 -4.908 1.00 0.00 WT1 O ATOM 6788 H1 TIP3 1275 11.559 -0.082 -4.825 1.00 0.00 WT1 H ATOM 6789 H2 TIP3 1275 1.546 19.229 0.222 1.00 0.00 WT1 H ATOM 6790 OH2 TIP3 1276 -3.802 7.357 4.994 1.00 0.00 WT1 O ATOM 6791 H1 TIP3 1276 -1.693 2.903 5.514 1.00 0.00 WT1 H ATOM 6792 H2 TIP3 1276 -1.611 2.415 13.299 1.00 0.00 WT1 H ATOM 6793 OH2 TIP3 1277 3.728 -1.155 2.252 1.00 0.00 WT1 O ATOM 6794 H1 TIP3 1277 -8.571 11.760 -15.829 1.00 0.00 WT1 H ATOM 6795 H2 TIP3 1277 27.155 13.033 5.034 1.00 0.00 WT1 H ATOM 6796 OH2 TIP3 1278 3.029 5.397 -2.260 1.00 0.00 WT1 O ATOM 6797 H1 TIP3 1278 -24.057 3.146 15.683 1.00 0.00 WT1 H ATOM 6798 H2 TIP3 1278 -6.511 19.559 3.644 1.00 0.00 WT1 H ATOM 6799 OH2 TIP3 1279 -4.450 -1.161 -2.302 1.00 0.00 WT1 O ATOM 6800 H1 TIP3 1279 -2.980 6.407 2.098 1.00 0.00 WT1 H ATOM 6801 H2 TIP3 1279 3.135 -19.537 -12.259 1.00 0.00 WT1 H ATOM 6802 OH2 TIP3 1281 5.014 -3.738 5.620 1.00 0.00 WT1 O ATOM 6803 H1 TIP3 1281 12.486 24.073 -11.755 1.00 0.00 WT1 H ATOM 6804 H2 TIP3 1281 -21.939 2.960 14.172 1.00 0.00 WT1 H ATOM 6805 OH2 TIP3 1282 6.149 1.709 2.854 1.00 0.00 WT1 O ATOM 6806 H1 TIP3 1282 -12.895 13.589 -6.471 1.00 0.00 WT1 H ATOM 6807 H2 TIP3 1282 -9.072 12.020 1.420 1.00 0.00 WT1 H ATOM 6808 OH2 TIP3 1283 2.279 -0.791 -2.278 1.00 0.00 WT1 O ATOM 6809 H1 TIP3 1283 3.968 1.233 -8.689 1.00 0.00 WT1 H ATOM 6810 H2 TIP3 1283 1.590 4.951 1.483 1.00 0.00 WT1 H ATOM 6811 OH2 TIP3 1284 1.300 7.671 -7.938 1.00 0.00 WT1 O ATOM 6812 H1 TIP3 1284 8.663 3.529 9.662 1.00 0.00 WT1 H ATOM 6813 H2 TIP3 1284 11.402 16.190 -8.378 1.00 0.00 WT1 H ATOM 6814 OH2 TIP3 1285 -2.059 -1.523 0.908 1.00 0.00 WT1 O ATOM 6815 H1 TIP3 1285 -6.402 8.467 -3.770 1.00 0.00 WT1 H ATOM 6816 H2 TIP3 1285 0.441 6.661 0.307 1.00 0.00 WT1 H ATOM 6817 OH2 TIP3 1286 -0.901 4.055 -5.016 1.00 0.00 WT1 O ATOM 6818 H1 TIP3 1286 -6.529 2.390 -8.967 1.00 0.00 WT1 H ATOM 6819 H2 TIP3 1286 11.573 -4.604 -5.961 1.00 0.00 WT1 H ATOM 6820 OH2 TIP3 1287 -5.493 -6.599 -1.664 1.00 0.00 WT1 O ATOM 6821 H1 TIP3 1287 -2.787 16.202 -4.368 1.00 0.00 WT1 H ATOM 6822 H2 TIP3 1287 0.307 20.284 -24.030 1.00 0.00 WT1 H ATOM 6823 OH2 TIP3 1288 3.946 6.116 1.273 1.00 0.00 WT1 O ATOM 6824 H1 TIP3 1288 -0.396 14.923 0.429 1.00 0.00 WT1 H ATOM 6825 H2 TIP3 1288 8.192 0.448 -7.908 1.00 0.00 WT1 H ATOM 6826 OH2 TIP3 1289 1.346 -0.337 -0.747 1.00 0.00 WT1 O ATOM 6827 H1 TIP3 1289 -1.363 7.076 -9.234 1.00 0.00 WT1 H ATOM 6828 H2 TIP3 1289 1.878 -10.065 -4.450 1.00 0.00 WT1 H ATOM 6829 OH2 TIP3 1290 -2.265 -0.995 -0.808 1.00 0.00 WT1 O ATOM 6830 H1 TIP3 1290 14.466 3.971 9.554 1.00 0.00 WT1 H ATOM 6831 H2 TIP3 1290 -10.401 -1.941 -5.710 1.00 0.00 WT1 H ATOM 6832 OH2 TIP3 1291 0.325 -5.061 2.738 1.00 0.00 WT1 O ATOM 6833 H1 TIP3 1291 -13.087 17.994 0.851 1.00 0.00 WT1 H ATOM 6834 H2 TIP3 1291 -12.748 10.552 2.294 1.00 0.00 WT1 H ATOM 6835 OH2 TIP3 1292 -1.169 -4.418 -7.427 1.00 0.00 WT1 O ATOM 6836 H1 TIP3 1292 -7.425 2.735 2.513 1.00 0.00 WT1 H ATOM 6837 H2 TIP3 1292 13.913 -8.906 -4.843 1.00 0.00 WT1 H ATOM 6838 OH2 TIP3 1293 4.504 4.223 -0.805 1.00 0.00 WT1 O ATOM 6839 H1 TIP3 1293 -11.712 31.054 -20.264 1.00 0.00 WT1 H ATOM 6840 H2 TIP3 1293 23.363 3.532 1.316 1.00 0.00 WT1 H ATOM 6841 OH2 TIP3 1295 -7.564 0.913 -4.983 1.00 0.00 WT1 O ATOM 6842 H1 TIP3 1295 6.170 -23.791 -15.126 1.00 0.00 WT1 H ATOM 6843 H2 TIP3 1295 3.462 3.730 7.871 1.00 0.00 WT1 H ATOM 6844 OH2 TIP3 1296 -3.862 -2.790 0.992 1.00 0.00 WT1 O ATOM 6845 H1 TIP3 1296 -3.714 -9.702 -14.260 1.00 0.00 WT1 H ATOM 6846 H2 TIP3 1296 -3.378 -3.800 5.317 1.00 0.00 WT1 H ATOM 6847 OH2 TIP3 1297 6.485 6.668 -4.183 1.00 0.00 WT1 O ATOM 6848 H1 TIP3 1297 0.172 5.080 6.773 1.00 0.00 WT1 H ATOM 6849 H2 TIP3 1297 24.157 8.135 3.702 1.00 0.00 WT1 H ATOM 6850 OH2 TIP3 1298 6.006 -7.823 -3.129 1.00 0.00 WT1 O ATOM 6851 H1 TIP3 1298 19.086 -8.047 7.572 1.00 0.00 WT1 H ATOM 6852 H2 TIP3 1298 -20.767 -12.536 -20.612 1.00 0.00 WT1 H ATOM 6853 OH2 TIP3 1299 -7.378 -3.362 0.246 1.00 0.00 WT1 O ATOM 6854 H1 TIP3 1299 -13.449 -3.346 -17.697 1.00 0.00 WT1 H ATOM 6855 H2 TIP3 1299 -2.598 -2.817 -22.789 1.00 0.00 WT1 H ATOM 6856 OH2 TIP3 1300 -0.229 -6.972 -5.330 1.00 0.00 WT1 O ATOM 6857 H1 TIP3 1300 -2.051 -13.792 -3.974 1.00 0.00 WT1 H ATOM 6858 H2 TIP3 1300 -2.817 -15.770 -3.044 1.00 0.00 WT1 H ATOM 6859 OH2 TIP3 1301 -0.319 -2.979 4.927 1.00 0.00 WT1 O ATOM 6860 H1 TIP3 1301 17.099 -16.712 2.869 1.00 0.00 WT1 H ATOM 6861 H2 TIP3 1301 -1.264 -30.412 -10.684 1.00 0.00 WT1 H ATOM 6862 OH2 TIP3 1302 -5.274 8.073 0.774 1.00 0.00 WT1 O ATOM 6863 H1 TIP3 1302 11.271 -0.950 0.505 1.00 0.00 WT1 H ATOM 6864 H2 TIP3 1302 16.687 16.141 -14.123 1.00 0.00 WT1 H ATOM 6865 OH2 TIP3 1303 -0.333 0.637 3.736 1.00 0.00 WT1 O ATOM 6866 H1 TIP3 1303 14.826 -1.989 -22.628 1.00 0.00 WT1 H ATOM 6867 H2 TIP3 1303 -0.426 7.002 -9.037 1.00 0.00 WT1 H ATOM 6868 OH2 TIP3 1304 -3.018 5.773 -0.491 1.00 0.00 WT1 O ATOM 6869 H1 TIP3 1304 -8.216 14.042 -13.056 1.00 0.00 WT1 H ATOM 6870 H2 TIP3 1304 -10.694 -11.294 -10.503 1.00 0.00 WT1 H ATOM 6871 OH2 TIP3 1305 0.837 6.006 -3.769 1.00 0.00 WT1 O ATOM 6872 H1 TIP3 1305 12.679 -5.148 5.169 1.00 0.00 WT1 H ATOM 6873 H2 TIP3 1305 3.662 -0.375 -21.554 1.00 0.00 WT1 H ATOM 6874 OH2 TIP3 1306 1.111 -5.324 4.886 1.00 0.00 WT1 O ATOM 6875 H1 TIP3 1306 -12.016 -2.435 12.173 1.00 0.00 WT1 H ATOM 6876 H2 TIP3 1306 17.461 -6.987 -3.671 1.00 0.00 WT1 H ATOM 6877 OH2 TIP3 1307 4.749 0.182 -3.411 1.00 0.00 WT1 O ATOM 6878 H1 TIP3 1307 3.394 9.793 -3.108 1.00 0.00 WT1 H ATOM 6879 H2 TIP3 1307 4.606 25.082 2.568 1.00 0.00 WT1 H ATOM 6880 OH2 TIP3 1308 -5.021 0.668 3.633 1.00 0.00 WT1 O ATOM 6881 H1 TIP3 1308 -12.246 -0.475 15.905 1.00 0.00 WT1 H ATOM 6882 H2 TIP3 1308 6.308 -5.012 -17.261 1.00 0.00 WT1 H ATOM 6883 OH2 TIP3 1309 0.051 -5.464 -1.215 1.00 0.00 WT1 O ATOM 6884 H1 TIP3 1309 8.714 -22.314 6.805 1.00 0.00 WT1 H ATOM 6885 H2 TIP3 1309 -11.781 6.528 -19.896 1.00 0.00 WT1 H ATOM 6886 OH2 TIP3 1311 0.362 -4.215 -2.647 1.00 0.00 WT1 O ATOM 6887 H1 TIP3 1311 -7.341 -0.260 1.305 1.00 0.00 WT1 H ATOM 6888 H2 TIP3 1311 19.434 15.089 -4.921 1.00 0.00 WT1 H ATOM 6889 OH2 TIP3 1312 2.442 -1.312 9.134 1.00 0.00 WT1 O ATOM 6890 H1 TIP3 1312 -9.400 -0.207 -4.000 1.00 0.00 WT1 H ATOM 6891 H2 TIP3 1312 1.840 -1.573 12.509 1.00 0.00 WT1 H ATOM 6892 OH2 TIP3 1313 -3.091 2.232 -3.371 1.00 0.00 WT1 O ATOM 6893 H1 TIP3 1313 -10.286 -19.646 33.969 1.00 0.00 WT1 H ATOM 6894 H2 TIP3 1313 -13.060 -17.385 4.581 1.00 0.00 WT1 H ATOM 6895 OH2 TIP3 1314 2.396 0.483 -2.678 1.00 0.00 WT1 O ATOM 6896 H1 TIP3 1314 6.630 8.910 1.026 1.00 0.00 WT1 H ATOM 6897 H2 TIP3 1314 0.999 -7.172 -23.674 1.00 0.00 WT1 H ATOM 6898 OH2 TIP3 1315 -0.482 -0.963 4.703 1.00 0.00 WT1 O ATOM 6899 H1 TIP3 1315 -2.363 -4.189 -12.554 1.00 0.00 WT1 H ATOM 6900 H2 TIP3 1315 4.402 2.191 1.087 1.00 0.00 WT1 H ATOM 6901 OH2 TIP3 1316 6.189 -3.134 -0.311 1.00 0.00 WT1 O ATOM 6902 H1 TIP3 1316 -10.235 -5.407 20.685 1.00 0.00 WT1 H ATOM 6903 H2 TIP3 1316 12.931 -12.301 -13.427 1.00 0.00 WT1 H ATOM 6904 OH2 TIP3 1317 2.231 -3.640 -3.333 1.00 0.00 WT1 O ATOM 6905 H1 TIP3 1317 -12.406 -24.976 -1.334 1.00 0.00 WT1 H ATOM 6906 H2 TIP3 1317 -23.938 2.742 -24.363 1.00 0.00 WT1 H ATOM 6907 OH2 TIP3 1319 -1.478 2.707 -2.749 1.00 0.00 WT1 O ATOM 6908 H1 TIP3 1319 1.775 4.123 -6.814 1.00 0.00 WT1 H ATOM 6909 H2 TIP3 1319 -3.267 3.287 -1.974 1.00 0.00 WT1 H ATOM 6910 OH2 TIP3 1320 -6.297 4.590 5.543 1.00 0.00 WT1 O ATOM 6911 H1 TIP3 1320 -8.723 6.172 10.002 1.00 0.00 WT1 H ATOM 6912 H2 TIP3 1320 -5.716 3.809 4.210 1.00 0.00 WT1 H ATOM 6913 OH2 TIP3 1321 -4.211 -0.874 0.629 1.00 0.00 WT1 O ATOM 6914 H1 TIP3 1321 -3.580 -4.678 -1.482 1.00 0.00 WT1 H ATOM 6915 H2 TIP3 1321 22.643 -15.923 3.106 1.00 0.00 WT1 H ATOM 6916 OH2 TIP3 1322 -0.527 2.826 -2.014 1.00 0.00 WT1 O ATOM 6917 H1 TIP3 1322 -15.756 -3.093 5.916 1.00 0.00 WT1 H ATOM 6918 H2 TIP3 1322 -23.993 8.278 -3.609 1.00 0.00 WT1 H ATOM 6919 OH2 TIP3 1323 2.020 -0.984 -5.744 1.00 0.00 WT1 O ATOM 6920 H1 TIP3 1323 3.526 7.374 4.201 1.00 0.00 WT1 H ATOM 6921 H2 TIP3 1323 6.161 9.480 1.091 1.00 0.00 WT1 H ATOM 6922 OH2 TIP3 1324 -6.262 -3.002 -1.873 1.00 0.00 WT1 O ATOM 6923 H1 TIP3 1324 0.063 -6.359 -8.060 1.00 0.00 WT1 H ATOM 6924 H2 TIP3 1324 -1.800 -3.310 -0.002 1.00 0.00 WT1 H ATOM 6925 OH2 TIP3 1325 4.268 -5.618 -4.375 1.00 0.00 WT1 O ATOM 6926 H1 TIP3 1325 -18.307 -2.041 -2.451 1.00 0.00 WT1 H ATOM 6927 H2 TIP3 1325 20.016 -1.880 -11.484 1.00 0.00 WT1 H ATOM 6928 OH2 TIP3 1326 1.947 6.484 -4.280 1.00 0.00 WT1 O ATOM 6929 H1 TIP3 1326 -1.545 4.835 -8.753 1.00 0.00 WT1 H ATOM 6930 H2 TIP3 1326 -38.773 20.986 4.899 1.00 0.00 WT1 H ATOM 6931 OH2 TIP3 1327 4.471 -3.522 -0.425 1.00 0.00 WT1 O ATOM 6932 H1 TIP3 1327 -2.341 -5.056 -8.637 1.00 0.00 WT1 H ATOM 6933 H2 TIP3 1327 4.698 -3.764 -13.748 1.00 0.00 WT1 H ATOM 6934 OH2 TIP3 1328 -3.803 6.146 0.457 1.00 0.00 WT1 O ATOM 6935 H1 TIP3 1328 -6.801 13.339 7.773 1.00 0.00 WT1 H ATOM 6936 H2 TIP3 1328 1.834 6.819 -9.809 1.00 0.00 WT1 H ATOM 6937 OH2 TIP3 1329 -5.850 -4.312 -2.876 1.00 0.00 WT1 O ATOM 6938 H1 TIP3 1329 -8.790 27.202 -2.250 1.00 0.00 WT1 H ATOM 6939 H2 TIP3 1329 7.065 -9.720 -24.458 1.00 0.00 WT1 H ATOM 6940 OH2 TIP3 1330 -5.053 0.558 -4.545 1.00 0.00 WT1 O ATOM 6941 H1 TIP3 1330 6.611 -5.884 -13.332 1.00 0.00 WT1 H ATOM 6942 H2 TIP3 1330 -6.767 -5.562 18.135 1.00 0.00 WT1 H ATOM 6943 OH2 TIP3 1332 -4.039 -1.771 -1.365 1.00 0.00 WT1 O ATOM 6944 H1 TIP3 1332 -5.780 8.137 -24.217 1.00 0.00 WT1 H ATOM 6945 H2 TIP3 1332 18.961 -3.454 -11.357 1.00 0.00 WT1 H ATOM 6946 OH2 TIP3 1333 9.360 -1.277 -2.199 1.00 0.00 WT1 O ATOM 6947 H1 TIP3 1333 -1.264 0.425 -4.381 1.00 0.00 WT1 H ATOM 6948 H2 TIP3 1333 4.699 9.767 2.026 1.00 0.00 WT1 H ATOM 6949 OH2 TIP3 1334 7.126 -2.896 3.115 1.00 0.00 WT1 O ATOM 6950 H1 TIP3 1334 -15.000 -3.342 -20.919 1.00 0.00 WT1 H ATOM 6951 H2 TIP3 1334 12.713 -9.488 15.999 1.00 0.00 WT1 H ATOM 6952 OH2 TIP3 1335 -3.600 -0.574 1.466 1.00 0.00 WT1 O ATOM 6953 H1 TIP3 1335 -4.447 -4.101 6.176 1.00 0.00 WT1 H ATOM 6954 H2 TIP3 1335 2.803 -1.730 -2.042 1.00 0.00 WT1 H ATOM 6955 OH2 TIP3 1336 -5.150 -0.966 1.930 1.00 0.00 WT1 O ATOM 6956 H1 TIP3 1336 -6.389 6.567 -4.730 1.00 0.00 WT1 H ATOM 6957 H2 TIP3 1336 -1.193 3.797 -1.327 1.00 0.00 WT1 H ATOM 6958 OH2 TIP3 1337 -1.567 2.746 0.193 1.00 0.00 WT1 O ATOM 6959 H1 TIP3 1337 -11.924 -4.799 -17.005 1.00 0.00 WT1 H ATOM 6960 H2 TIP3 1337 16.953 -2.220 15.672 1.00 0.00 WT1 H ATOM 6961 OH2 TIP3 1338 -8.708 -3.348 -0.860 1.00 0.00 WT1 O ATOM 6962 H1 TIP3 1338 6.090 -18.691 19.563 1.00 0.00 WT1 H ATOM 6963 H2 TIP3 1338 5.903 -10.891 11.653 1.00 0.00 WT1 H ATOM 6964 OH2 TIP3 1339 5.274 2.107 -0.731 1.00 0.00 WT1 O ATOM 6965 H1 TIP3 1339 3.785 -9.772 4.340 1.00 0.00 WT1 H ATOM 6966 H2 TIP3 1339 -1.663 6.311 -8.632 1.00 0.00 WT1 H ATOM 6967 OH2 TIP3 1340 1.976 4.458 -0.022 1.00 0.00 WT1 O ATOM 6968 H1 TIP3 1340 6.222 4.698 10.229 1.00 0.00 WT1 H ATOM 6969 H2 TIP3 1340 8.540 9.981 -5.836 1.00 0.00 WT1 H ATOM 6970 OH2 TIP3 1342 3.527 -5.561 -4.058 1.00 0.00 WT1 O ATOM 6971 H1 TIP3 1342 9.231 -16.455 -37.452 1.00 0.00 WT1 H ATOM 6972 H2 TIP3 1342 -5.774 5.366 9.408 1.00 0.00 WT1 H ATOM 6973 OH2 TIP3 1343 -2.467 4.273 -6.324 1.00 0.00 WT1 O ATOM 6974 H1 TIP3 1343 -15.021 -26.462 11.709 1.00 0.00 WT1 H ATOM 6975 H2 TIP3 1343 -19.371 -24.854 6.044 1.00 0.00 WT1 H ATOM 6976 OH2 TIP3 1344 -2.227 -8.240 1.748 1.00 0.00 WT1 O ATOM 6977 H1 TIP3 1344 0.843 -11.115 18.598 1.00 0.00 WT1 H ATOM 6978 H2 TIP3 1344 -12.950 -4.739 -2.378 1.00 0.00 WT1 H ATOM 6979 OH2 TIP3 1345 8.164 1.867 6.776 1.00 0.00 WT1 O ATOM 6980 H1 TIP3 1345 6.395 3.852 5.339 1.00 0.00 WT1 H ATOM 6981 H2 TIP3 1345 -18.257 0.328 26.455 1.00 0.00 WT1 H ATOM 6982 OH2 TIP3 1346 -1.538 -3.548 2.697 1.00 0.00 WT1 O ATOM 6983 H1 TIP3 1346 5.796 -7.218 0.642 1.00 0.00 WT1 H ATOM 6984 H2 TIP3 1346 -11.576 9.617 12.048 1.00 0.00 WT1 H ATOM 6985 OH2 TIP3 1347 -2.761 -4.955 0.712 1.00 0.00 WT1 O ATOM 6986 H1 TIP3 1347 0.443 5.273 -8.881 1.00 0.00 WT1 H ATOM 6987 H2 TIP3 1347 -0.977 -0.407 -2.118 1.00 0.00 WT1 H ATOM 6988 OH2 TIP3 1348 0.389 -6.201 -5.333 1.00 0.00 WT1 O ATOM 6989 H1 TIP3 1348 6.100 -11.990 -6.027 1.00 0.00 WT1 H ATOM 6990 H2 TIP3 1348 -0.009 -0.055 -14.985 1.00 0.00 WT1 H ATOM 6991 OH2 TIP3 1349 0.431 -0.672 0.894 1.00 0.00 WT1 O ATOM 6992 H1 TIP3 1349 1.274 2.439 11.578 1.00 0.00 WT1 H ATOM 6993 H2 TIP3 1349 2.034 -32.103 15.187 1.00 0.00 WT1 H ATOM 6994 OH2 TIP3 1350 3.250 0.637 5.776 1.00 0.00 WT1 O ATOM 6995 H1 TIP3 1350 3.326 1.342 -0.780 1.00 0.00 WT1 H ATOM 6996 H2 TIP3 1350 -5.613 2.054 -9.047 1.00 0.00 WT1 H ATOM 6997 OH2 TIP3 1351 -2.340 2.614 -0.246 1.00 0.00 WT1 O ATOM 6998 H1 TIP3 1351 -29.628 6.523 -4.964 1.00 0.00 WT1 H ATOM 6999 H2 TIP3 1351 7.598 -22.132 13.883 1.00 0.00 WT1 H ATOM 7000 OH2 TIP3 1352 5.436 5.607 3.678 1.00 0.00 WT1 O ATOM 7001 H1 TIP3 1352 7.337 -3.766 20.615 1.00 0.00 WT1 H ATOM 7002 H2 TIP3 1352 -19.036 7.126 -24.225 1.00 0.00 WT1 H ATOM 7003 OH2 TIP3 1353 0.685 2.191 6.240 1.00 0.00 WT1 O ATOM 7004 H1 TIP3 1353 -10.082 -3.582 3.528 1.00 0.00 WT1 H ATOM 7005 H2 TIP3 1353 -19.084 -19.978 -3.374 1.00 0.00 WT1 H ATOM 7006 OH2 TIP3 1354 3.820 -1.949 -2.930 1.00 0.00 WT1 O ATOM 7007 H1 TIP3 1354 5.879 -4.150 -1.561 1.00 0.00 WT1 H ATOM 7008 H2 TIP3 1354 -7.001 -1.196 2.747 1.00 0.00 WT1 H ATOM 7009 OH2 TIP3 1355 -0.223 -3.828 0.612 1.00 0.00 WT1 O ATOM 7010 H1 TIP3 1355 5.772 -7.647 12.109 1.00 0.00 WT1 H ATOM 7011 H2 TIP3 1355 8.412 -7.219 -14.060 1.00 0.00 WT1 H ATOM 7012 OH2 TIP3 1356 -0.605 -3.995 -0.611 1.00 0.00 WT1 O ATOM 7013 H1 TIP3 1356 1.486 -0.869 -2.186 1.00 0.00 WT1 H ATOM 7014 H2 TIP3 1356 -16.299 -0.548 -12.361 1.00 0.00 WT1 H ATOM 7015 OH2 TIP3 1357 3.557 3.166 -3.063 1.00 0.00 WT1 O ATOM 7016 H1 TIP3 1357 -20.601 -22.015 -7.285 1.00 0.00 WT1 H ATOM 7017 H2 TIP3 1357 -6.607 5.488 15.577 1.00 0.00 WT1 H ATOM 7018 OH2 TIP3 1358 -0.986 -8.181 1.324 1.00 0.00 WT1 O ATOM 7019 H1 TIP3 1358 -4.413 -11.755 -0.038 1.00 0.00 WT1 H ATOM 7020 H2 TIP3 1358 4.193 -6.483 -4.799 1.00 0.00 WT1 H ATOM 7021 OH2 TIP3 1359 0.041 -2.253 6.948 1.00 0.00 WT1 O ATOM 7022 H1 TIP3 1359 -6.044 -5.776 11.645 1.00 0.00 WT1 H ATOM 7023 H2 TIP3 1359 9.234 2.670 0.272 1.00 0.00 WT1 H ATOM 7024 OH2 TIP3 1360 -6.554 -1.017 5.945 1.00 0.00 WT1 O ATOM 7025 H1 TIP3 1360 2.583 9.938 -0.795 1.00 0.00 WT1 H ATOM 7026 H2 TIP3 1360 -1.778 -12.186 5.361 1.00 0.00 WT1 H ATOM 7027 OH2 TIP3 1361 0.503 -2.854 0.447 1.00 0.00 WT1 O ATOM 7028 H1 TIP3 1361 3.447 -6.262 -0.815 1.00 0.00 WT1 H ATOM 7029 H2 TIP3 1361 -3.598 1.531 -11.209 1.00 0.00 WT1 H ATOM 7030 OH2 TIP3 1362 2.740 3.318 -4.273 1.00 0.00 WT1 O ATOM 7031 H1 TIP3 1362 -4.765 -8.546 -5.097 1.00 0.00 WT1 H ATOM 7032 H2 TIP3 1362 8.949 9.594 -15.184 1.00 0.00 WT1 H ATOM 7033 OH2 TIP3 1363 6.181 -4.736 -0.639 1.00 0.00 WT1 O ATOM 7034 H1 TIP3 1363 2.989 -6.604 27.613 1.00 0.00 WT1 H ATOM 7035 H2 TIP3 1363 -1.528 5.543 5.572 1.00 0.00 WT1 H ATOM 7036 OH2 TIP3 1364 -0.819 -0.072 -2.000 1.00 0.00 WT1 O ATOM 7037 H1 TIP3 1364 5.118 7.906 7.468 1.00 0.00 WT1 H ATOM 7038 H2 TIP3 1364 2.444 -1.476 20.291 1.00 0.00 WT1 H ATOM 7039 OH2 TIP3 1365 4.126 5.485 -8.331 1.00 0.00 WT1 O ATOM 7040 H1 TIP3 1365 21.798 -2.399 -23.625 1.00 0.00 WT1 H ATOM 7041 H2 TIP3 1365 -0.631 16.260 -19.578 1.00 0.00 WT1 H ATOM 7042 OH2 TIP3 1366 0.240 3.819 -2.506 1.00 0.00 WT1 O ATOM 7043 H1 TIP3 1366 -3.669 -4.805 -10.349 1.00 0.00 WT1 H ATOM 7044 H2 TIP3 1366 -21.933 12.780 7.532 1.00 0.00 WT1 H ATOM 7045 OH2 TIP3 1367 4.695 2.739 4.297 1.00 0.00 WT1 O ATOM 7046 H1 TIP3 1367 3.877 7.485 -1.698 1.00 0.00 WT1 H ATOM 7047 H2 TIP3 1367 -7.228 -6.245 7.794 1.00 0.00 WT1 H ATOM 7048 OH2 TIP3 1368 -0.575 0.745 -4.133 1.00 0.00 WT1 O ATOM 7049 H1 TIP3 1368 -4.694 -15.287 9.289 1.00 0.00 WT1 H ATOM 7050 H2 TIP3 1368 -17.745 -4.110 3.670 1.00 0.00 WT1 H ATOM 7051 OH2 TIP3 1369 0.577 -3.591 4.805 1.00 0.00 WT1 O ATOM 7052 H1 TIP3 1369 -1.429 -7.142 3.071 1.00 0.00 WT1 H ATOM 7053 H2 TIP3 1369 -2.581 17.710 -18.805 1.00 0.00 WT1 H ATOM 7054 OH2 TIP3 1370 1.059 -4.253 -3.328 1.00 0.00 WT1 O ATOM 7055 H1 TIP3 1370 -39.103 -24.841 -5.785 1.00 0.00 WT1 H ATOM 7056 H2 TIP3 1370 17.942 12.895 -10.050 1.00 0.00 WT1 H ATOM 7057 OH2 TIP3 1371 1.186 -0.493 0.199 1.00 0.00 WT1 O ATOM 7058 H1 TIP3 1371 9.030 14.917 -6.045 1.00 0.00 WT1 H ATOM 7059 H2 TIP3 1371 -9.071 -28.372 22.902 1.00 0.00 WT1 H ATOM 7060 OH2 TIP3 1372 0.110 3.485 -4.861 1.00 0.00 WT1 O ATOM 7061 H1 TIP3 1372 -9.025 -2.620 -0.639 1.00 0.00 WT1 H ATOM 7062 H2 TIP3 1372 0.413 12.747 2.916 1.00 0.00 WT1 H ATOM 7063 OH2 TIP3 1373 0.238 -1.328 -0.793 1.00 0.00 WT1 O ATOM 7064 H1 TIP3 1373 5.071 10.753 17.440 1.00 0.00 WT1 H ATOM 7065 H2 TIP3 1373 7.086 6.976 -3.355 1.00 0.00 WT1 H ATOM 7066 OH2 TIP3 1374 5.586 1.171 8.837 1.00 0.00 WT1 O ATOM 7067 H1 TIP3 1374 -5.173 16.093 5.015 1.00 0.00 WT1 H ATOM 7068 H2 TIP3 1374 -18.925 -8.635 16.243 1.00 0.00 WT1 H ATOM 7069 OH2 TIP3 1375 -7.603 -6.699 -0.235 1.00 0.00 WT1 O ATOM 7070 H1 TIP3 1375 -2.624 -7.240 18.213 1.00 0.00 WT1 H ATOM 7071 H2 TIP3 1375 -3.718 -3.915 -9.740 1.00 0.00 WT1 H ATOM 7072 OH2 TIP3 1376 -0.530 2.353 4.736 1.00 0.00 WT1 O ATOM 7073 H1 TIP3 1376 -7.491 -3.098 9.408 1.00 0.00 WT1 H ATOM 7074 H2 TIP3 1376 9.914 -1.937 -3.688 1.00 0.00 WT1 H ATOM 7075 OH2 TIP3 1377 -2.091 3.023 -0.211 1.00 0.00 WT1 O ATOM 7076 H1 TIP3 1377 5.167 1.285 7.422 1.00 0.00 WT1 H ATOM 7077 H2 TIP3 1377 -3.941 -2.788 -4.424 1.00 0.00 WT1 H ATOM 7078 OH2 TIP3 1378 1.658 -6.978 -1.108 1.00 0.00 WT1 O ATOM 7079 H1 TIP3 1378 -2.257 -8.215 4.616 1.00 0.00 WT1 H ATOM 7080 H2 TIP3 1378 4.386 -2.990 -0.865 1.00 0.00 WT1 H ATOM 7081 OH2 TIP3 1379 -7.995 2.088 2.167 1.00 0.00 WT1 O ATOM 7082 H1 TIP3 1379 -16.956 6.026 -17.214 1.00 0.00 WT1 H ATOM 7083 H2 TIP3 1379 -7.170 0.294 8.559 1.00 0.00 WT1 H ATOM 7084 OH2 TIP3 1380 0.732 -5.295 -1.086 1.00 0.00 WT1 O ATOM 7085 H1 TIP3 1380 -10.162 20.723 -9.686 1.00 0.00 WT1 H ATOM 7086 H2 TIP3 1380 -0.478 -1.622 -2.504 1.00 0.00 WT1 H ATOM 7087 OH2 TIP3 1381 -0.536 -2.806 -1.172 1.00 0.00 WT1 O ATOM 7088 H1 TIP3 1381 -0.900 4.754 -3.165 1.00 0.00 WT1 H ATOM 7089 H2 TIP3 1381 3.132 -9.201 -2.709 1.00 0.00 WT1 H ATOM 7090 OH2 TIP3 1382 1.847 -0.991 -5.030 1.00 0.00 WT1 O ATOM 7091 H1 TIP3 1382 15.826 2.847 -0.602 1.00 0.00 WT1 H ATOM 7092 H2 TIP3 1382 2.983 17.817 -14.581 1.00 0.00 WT1 H ATOM 7093 OH2 TIP3 1383 1.227 1.298 -3.623 1.00 0.00 WT1 O ATOM 7094 H1 TIP3 1383 2.248 -18.685 4.033 1.00 0.00 WT1 H ATOM 7095 H2 TIP3 1383 -3.480 14.278 -12.111 1.00 0.00 WT1 H ATOM 7096 OH2 TIP3 1384 -3.208 6.000 -6.213 1.00 0.00 WT1 O ATOM 7097 H1 TIP3 1384 5.099 9.465 -16.330 1.00 0.00 WT1 H ATOM 7098 H2 TIP3 1384 -0.044 12.256 4.954 1.00 0.00 WT1 H ATOM 7099 OH2 TIP3 1385 7.229 -0.789 -1.306 1.00 0.00 WT1 O ATOM 7100 H1 TIP3 1385 -3.131 3.760 -7.709 1.00 0.00 WT1 H ATOM 7101 H2 TIP3 1385 -1.545 -6.867 -21.718 1.00 0.00 WT1 H ATOM 7102 OH2 TIP3 1387 4.515 -5.196 2.125 1.00 0.00 WT1 O ATOM 7103 H1 TIP3 1387 14.712 -9.344 6.252 1.00 0.00 WT1 H ATOM 7104 H2 TIP3 1387 3.988 5.649 9.997 1.00 0.00 WT1 H ATOM 7105 OH2 TIP3 1388 -5.535 6.436 0.295 1.00 0.00 WT1 O ATOM 7106 H1 TIP3 1388 -9.218 8.683 9.522 1.00 0.00 WT1 H ATOM 7107 H2 TIP3 1388 13.484 13.502 -6.299 1.00 0.00 WT1 H ATOM 7108 OH2 TIP3 1389 -1.624 5.476 1.567 1.00 0.00 WT1 O ATOM 7109 H1 TIP3 1389 -1.340 5.577 -9.649 1.00 0.00 WT1 H ATOM 7110 H2 TIP3 1389 -8.994 -11.076 16.478 1.00 0.00 WT1 H ATOM 7111 OH2 TIP3 1390 1.354 -0.783 -1.874 1.00 0.00 WT1 O ATOM 7112 H1 TIP3 1390 -4.300 -5.137 34.574 1.00 0.00 WT1 H ATOM 7113 H2 TIP3 1390 4.561 -15.587 1.003 1.00 0.00 WT1 H ATOM 7114 OH2 TIP3 1391 3.421 2.369 -0.949 1.00 0.00 WT1 O ATOM 7115 H1 TIP3 1391 0.703 2.342 -2.604 1.00 0.00 WT1 H ATOM 7116 H2 TIP3 1391 5.249 14.032 -4.453 1.00 0.00 WT1 H ATOM 7117 OH2 TIP3 1392 2.902 -1.894 4.647 1.00 0.00 WT1 O ATOM 7118 H1 TIP3 1392 7.381 -4.633 -17.916 1.00 0.00 WT1 H ATOM 7119 H2 TIP3 1392 9.343 -4.275 14.583 1.00 0.00 WT1 H ATOM 7120 OH2 TIP3 1393 3.822 4.231 -5.878 1.00 0.00 WT1 O ATOM 7121 H1 TIP3 1393 6.671 4.784 -0.148 1.00 0.00 WT1 H ATOM 7122 H2 TIP3 1393 7.945 3.185 -19.148 1.00 0.00 WT1 H ATOM 7123 OH2 TIP3 1394 0.282 -3.936 -6.523 1.00 0.00 WT1 O ATOM 7124 H1 TIP3 1394 -12.071 14.696 -4.310 1.00 0.00 WT1 H ATOM 7125 H2 TIP3 1394 14.252 -22.732 7.020 1.00 0.00 WT1 H ATOM 7126 OH2 TIP3 1395 -0.159 1.653 -1.451 1.00 0.00 WT1 O ATOM 7127 H1 TIP3 1395 37.110 -27.407 -3.492 1.00 0.00 WT1 H ATOM 7128 H2 TIP3 1395 17.488 1.641 3.957 1.00 0.00 WT1 H ATOM 7129 OH2 TIP3 1396 -5.153 -1.111 -1.000 1.00 0.00 WT1 O ATOM 7130 H1 TIP3 1396 8.101 2.799 5.123 1.00 0.00 WT1 H ATOM 7131 H2 TIP3 1396 -20.716 7.151 -5.525 1.00 0.00 WT1 H ATOM 7132 OH2 TIP3 1397 0.981 3.510 -7.209 1.00 0.00 WT1 O ATOM 7133 H1 TIP3 1397 8.724 -12.663 13.677 1.00 0.00 WT1 H ATOM 7134 H2 TIP3 1397 20.683 -8.115 -21.492 1.00 0.00 WT1 H ATOM 7135 OH2 TIP3 1398 1.939 5.572 -1.055 1.00 0.00 WT1 O ATOM 7136 H1 TIP3 1398 -10.422 6.824 1.023 1.00 0.00 WT1 H ATOM 7137 H2 TIP3 1398 4.994 3.576 7.831 1.00 0.00 WT1 H ATOM 7138 OH2 TIP3 1399 4.895 -1.552 -4.132 1.00 0.00 WT1 O ATOM 7139 H1 TIP3 1399 3.227 -5.966 -10.968 1.00 0.00 WT1 H ATOM 7140 H2 TIP3 1399 7.246 21.460 21.252 1.00 0.00 WT1 H ATOM 7141 OH2 TIP3 1400 -5.323 2.367 7.305 1.00 0.00 WT1 O ATOM 7142 H1 TIP3 1400 14.244 -8.899 -9.040 1.00 0.00 WT1 H ATOM 7143 H2 TIP3 1400 -9.664 -38.230 17.743 1.00 0.00 WT1 H ATOM 7144 OH2 TIP3 1401 0.209 -0.881 4.583 1.00 0.00 WT1 O ATOM 7145 H1 TIP3 1401 9.619 -15.227 -8.863 1.00 0.00 WT1 H ATOM 7146 H2 TIP3 1401 -18.250 1.976 -5.669 1.00 0.00 WT1 H ATOM 7147 OH2 TIP3 1402 -2.869 -2.943 2.142 1.00 0.00 WT1 O ATOM 7148 H1 TIP3 1402 -7.096 -8.153 -5.906 1.00 0.00 WT1 H ATOM 7149 H2 TIP3 1402 0.637 23.091 21.665 1.00 0.00 WT1 H ATOM 7150 OH2 TIP3 1403 1.894 7.856 -4.377 1.00 0.00 WT1 O ATOM 7151 H1 TIP3 1403 -5.947 -0.541 -0.363 1.00 0.00 WT1 H ATOM 7152 H2 TIP3 1403 17.680 6.118 -15.777 1.00 0.00 WT1 H ATOM 7153 OH2 TIP3 1404 -3.393 -2.394 -1.466 1.00 0.00 WT1 O ATOM 7154 H1 TIP3 1404 -10.831 -0.666 -1.921 1.00 0.00 WT1 H ATOM 7155 H2 TIP3 1404 -5.966 0.790 10.624 1.00 0.00 WT1 H ATOM 7156 OH2 TIP3 1405 -3.094 -4.983 1.813 1.00 0.00 WT1 O ATOM 7157 H1 TIP3 1405 -5.065 -13.510 8.520 1.00 0.00 WT1 H ATOM 7158 H2 TIP3 1405 -5.508 -7.539 -8.042 1.00 0.00 WT1 H ATOM 7159 OH2 TIP3 1406 -0.273 6.865 2.026 1.00 0.00 WT1 O ATOM 7160 H1 TIP3 1406 -1.589 5.364 4.213 1.00 0.00 WT1 H ATOM 7161 H2 TIP3 1406 2.901 5.438 5.173 1.00 0.00 WT1 H ATOM 7162 OH2 TIP3 1407 1.185 -8.546 -3.496 1.00 0.00 WT1 O ATOM 7163 H1 TIP3 1407 0.206 -8.738 0.522 1.00 0.00 WT1 H ATOM 7164 H2 TIP3 1407 1.918 -5.674 -8.486 1.00 0.00 WT1 H ATOM 7165 OH2 TIP3 1408 1.637 -1.696 9.217 1.00 0.00 WT1 O ATOM 7166 H1 TIP3 1408 -4.504 25.192 -17.377 1.00 0.00 WT1 H ATOM 7167 H2 TIP3 1408 7.308 -5.279 -5.584 1.00 0.00 WT1 H ATOM 7168 OH2 TIP3 1409 2.751 1.792 -2.308 1.00 0.00 WT1 O ATOM 7169 H1 TIP3 1409 -17.019 -2.459 -10.226 1.00 0.00 WT1 H ATOM 7170 H2 TIP3 1409 -6.449 -8.072 9.943 1.00 0.00 WT1 H ATOM 7171 OH2 TIP3 1410 4.819 0.988 -5.739 1.00 0.00 WT1 O ATOM 7172 H1 TIP3 1410 3.695 16.404 -5.910 1.00 0.00 WT1 H ATOM 7173 H2 TIP3 1410 3.909 -9.872 -17.668 1.00 0.00 WT1 H ATOM 7174 OH2 TIP3 1411 8.040 1.735 4.601 1.00 0.00 WT1 O ATOM 7175 H1 TIP3 1411 14.800 -2.751 8.340 1.00 0.00 WT1 H ATOM 7176 H2 TIP3 1411 4.794 4.197 -4.377 1.00 0.00 WT1 H ATOM 7177 OH2 TIP3 1412 -1.093 4.945 -0.026 1.00 0.00 WT1 O ATOM 7178 H1 TIP3 1412 -4.473 -6.825 7.467 1.00 0.00 WT1 H ATOM 7179 H2 TIP3 1412 -3.695 -18.141 -0.044 1.00 0.00 WT1 H ATOM 7180 OH2 TIP3 1413 5.671 -3.648 0.066 1.00 0.00 WT1 O ATOM 7181 H1 TIP3 1413 5.784 8.124 2.885 1.00 0.00 WT1 H ATOM 7182 H2 TIP3 1413 2.458 -10.229 -1.481 1.00 0.00 WT1 H ATOM 7183 OH2 TIP3 1414 2.309 -0.461 6.425 1.00 0.00 WT1 O ATOM 7184 H1 TIP3 1414 -18.324 5.387 17.946 1.00 0.00 WT1 H ATOM 7185 H2 TIP3 1414 -21.214 33.383 -13.743 1.00 0.00 WT1 H ATOM 7186 OH2 TIP3 1415 2.761 0.323 -2.642 1.00 0.00 WT1 O ATOM 7187 H1 TIP3 1415 3.282 -6.561 -9.479 1.00 0.00 WT1 H ATOM 7188 H2 TIP3 1415 3.233 -10.761 -13.493 1.00 0.00 WT1 H ATOM 7189 OH2 TIP3 1416 1.597 -1.921 2.462 1.00 0.00 WT1 O ATOM 7190 H1 TIP3 1416 -10.784 5.877 0.394 1.00 0.00 WT1 H ATOM 7191 H2 TIP3 1416 9.347 2.277 11.669 1.00 0.00 WT1 H ATOM 7192 OH2 TIP3 1417 -5.008 4.006 -1.662 1.00 0.00 WT1 O ATOM 7193 H1 TIP3 1417 -10.784 10.041 -3.429 1.00 0.00 WT1 H ATOM 7194 H2 TIP3 1417 -1.031 36.319 -24.280 1.00 0.00 WT1 H ATOM 7195 OH2 TIP3 1418 -0.478 -0.144 1.550 1.00 0.00 WT1 O ATOM 7196 H1 TIP3 1418 11.196 -3.171 5.081 1.00 0.00 WT1 H ATOM 7197 H2 TIP3 1418 -5.809 -2.336 12.292 1.00 0.00 WT1 H ATOM 7198 OH2 TIP3 1419 1.172 5.309 -2.187 1.00 0.00 WT1 O ATOM 7199 H1 TIP3 1419 7.363 -0.109 -7.290 1.00 0.00 WT1 H ATOM 7200 H2 TIP3 1419 6.892 17.438 5.385 1.00 0.00 WT1 H ATOM 7201 OH2 TIP3 1421 -4.033 -3.786 1.125 1.00 0.00 WT1 O ATOM 7202 H1 TIP3 1421 -11.100 -24.339 10.632 1.00 0.00 WT1 H ATOM 7203 H2 TIP3 1421 -26.443 -8.434 6.866 1.00 0.00 WT1 H ATOM 7204 OH2 TIP3 1422 -9.113 4.309 -7.141 1.00 0.00 WT1 O ATOM 7205 H1 TIP3 1422 1.443 -3.723 -35.404 1.00 0.00 WT1 H ATOM 7206 H2 TIP3 1422 -0.531 -2.574 -0.618 1.00 0.00 WT1 H ATOM 7207 OH2 TIP3 1423 7.548 2.189 -2.122 1.00 0.00 WT1 O ATOM 7208 H1 TIP3 1423 15.821 -10.144 4.374 1.00 0.00 WT1 H ATOM 7209 H2 TIP3 1423 11.651 -7.658 1.725 1.00 0.00 WT1 H ATOM 7210 OH2 TIP3 1424 2.144 4.389 -0.326 1.00 0.00 WT1 O ATOM 7211 H1 TIP3 1424 -5.967 9.427 -4.215 1.00 0.00 WT1 H ATOM 7212 H2 TIP3 1424 -5.002 -0.114 -2.061 1.00 0.00 WT1 H ATOM 7213 OH2 TIP3 1426 -6.216 3.648 -4.138 1.00 0.00 WT1 O ATOM 7214 H1 TIP3 1426 15.079 -12.388 -3.501 1.00 0.00 WT1 H ATOM 7215 H2 TIP3 1426 -26.044 -5.244 -18.755 1.00 0.00 WT1 H ATOM 7216 OH2 TIP3 1428 1.291 -1.940 3.356 1.00 0.00 WT1 O ATOM 7217 H1 TIP3 1428 7.610 5.612 1.320 1.00 0.00 WT1 H ATOM 7218 H2 TIP3 1428 -13.503 14.302 -10.089 1.00 0.00 WT1 H ATOM 7219 OH2 TIP3 1429 5.593 0.682 -5.622 1.00 0.00 WT1 O ATOM 7220 H1 TIP3 1429 -3.722 22.676 -9.251 1.00 0.00 WT1 H ATOM 7221 H2 TIP3 1429 18.940 22.761 -4.231 1.00 0.00 WT1 H ATOM 7222 OH2 TIP3 1430 -0.495 6.502 -10.336 1.00 0.00 WT1 O ATOM 7223 H1 TIP3 1430 12.252 41.634 -8.369 1.00 0.00 WT1 H ATOM 7224 H2 TIP3 1430 3.375 10.008 -9.746 1.00 0.00 WT1 H ATOM 7225 OH2 TIP3 1431 1.321 -2.082 -0.823 1.00 0.00 WT1 O ATOM 7226 H1 TIP3 1431 -9.787 3.243 -2.391 1.00 0.00 WT1 H ATOM 7227 H2 TIP3 1431 -5.922 -8.151 3.461 1.00 0.00 WT1 H ATOM 7228 OH2 TIP3 1432 -1.914 -1.920 -2.674 1.00 0.00 WT1 O ATOM 7229 H1 TIP3 1432 -7.399 2.127 -6.174 1.00 0.00 WT1 H ATOM 7230 H2 TIP3 1432 4.412 -4.897 1.046 1.00 0.00 WT1 H ATOM 7231 OH2 TIP3 1433 -4.250 0.772 -0.038 1.00 0.00 WT1 O ATOM 7232 H1 TIP3 1433 -7.501 -13.382 5.297 1.00 0.00 WT1 H ATOM 7233 H2 TIP3 1433 -22.093 -9.275 14.117 1.00 0.00 WT1 H ATOM 7234 OH2 TIP3 1434 2.573 -3.376 -1.227 1.00 0.00 WT1 O ATOM 7235 H1 TIP3 1434 -5.404 -26.945 -9.010 1.00 0.00 WT1 H ATOM 7236 H2 TIP3 1434 13.278 17.775 -2.356 1.00 0.00 WT1 H ATOM 7237 OH2 TIP3 1435 5.091 -0.832 -0.815 1.00 0.00 WT1 O ATOM 7238 H1 TIP3 1435 10.044 -6.050 5.961 1.00 0.00 WT1 H ATOM 7239 H2 TIP3 1435 -20.292 -5.141 13.897 1.00 0.00 WT1 H ATOM 7240 OH2 TIP3 1436 -6.884 4.210 0.137 1.00 0.00 WT1 O ATOM 7241 H1 TIP3 1436 0.047 12.319 -3.338 1.00 0.00 WT1 H ATOM 7242 H2 TIP3 1436 -5.539 3.063 -9.128 1.00 0.00 WT1 H ATOM 7243 OH2 TIP3 1437 -0.145 -3.059 -4.272 1.00 0.00 WT1 O ATOM 7244 H1 TIP3 1437 -13.666 2.973 -8.611 1.00 0.00 WT1 H ATOM 7245 H2 TIP3 1437 3.030 -10.838 -16.230 1.00 0.00 WT1 H ATOM 7246 OH2 TIP3 1438 -2.522 -2.696 4.934 1.00 0.00 WT1 O ATOM 7247 H1 TIP3 1438 1.060 -13.451 -1.092 1.00 0.00 WT1 H ATOM 7248 H2 TIP3 1438 -4.315 -6.164 18.772 1.00 0.00 WT1 H ATOM 7249 OH2 TIP3 1439 -7.969 -0.050 -1.495 1.00 0.00 WT1 O ATOM 7250 H1 TIP3 1439 2.468 -11.043 -6.668 1.00 0.00 WT1 H ATOM 7251 H2 TIP3 1439 -12.735 10.635 2.080 1.00 0.00 WT1 H ATOM 7252 OH2 TIP3 1440 5.935 -4.050 -2.271 1.00 0.00 WT1 O ATOM 7253 H1 TIP3 1440 16.865 -7.599 -0.719 1.00 0.00 WT1 H ATOM 7254 H2 TIP3 1440 5.562 -13.838 -13.065 1.00 0.00 WT1 H ATOM 7255 OH2 TIP3 1441 4.968 -0.815 2.228 1.00 0.00 WT1 O ATOM 7256 H1 TIP3 1441 -14.995 17.253 10.784 1.00 0.00 WT1 H ATOM 7257 H2 TIP3 1441 3.632 -0.314 -10.560 1.00 0.00 WT1 H ATOM 7258 OH2 TIP3 1442 5.372 -2.331 2.697 1.00 0.00 WT1 O ATOM 7259 H1 TIP3 1442 31.758 -7.160 1.537 1.00 0.00 WT1 H ATOM 7260 H2 TIP3 1442 -9.229 0.081 4.857 1.00 0.00 WT1 H ATOM 7261 OH2 TIP3 1443 -2.789 -3.679 -2.504 1.00 0.00 WT1 O ATOM 7262 H1 TIP3 1443 16.421 7.921 -6.641 1.00 0.00 WT1 H ATOM 7263 H2 TIP3 1443 -2.885 -8.806 -11.256 1.00 0.00 WT1 H ATOM 7264 OH2 TIP3 1444 2.763 5.452 -1.213 1.00 0.00 WT1 O ATOM 7265 H1 TIP3 1444 10.674 -1.187 23.776 1.00 0.00 WT1 H ATOM 7266 H2 TIP3 1444 6.660 2.672 -15.882 1.00 0.00 WT1 H ATOM 7267 OH2 TIP3 1445 0.788 0.944 -0.067 1.00 0.00 WT1 O ATOM 7268 H1 TIP3 1445 14.101 -1.712 -5.545 1.00 0.00 WT1 H ATOM 7269 H2 TIP3 1445 -8.764 5.809 5.845 1.00 0.00 WT1 H ATOM 7270 OH2 TIP3 1446 -1.533 10.617 -6.085 1.00 0.00 WT1 O ATOM 7271 H1 TIP3 1446 10.651 6.892 -14.955 1.00 0.00 WT1 H ATOM 7272 H2 TIP3 1446 -3.126 16.494 22.348 1.00 0.00 WT1 H ATOM 7273 OH2 TIP3 1447 -4.673 0.001 -0.984 1.00 0.00 WT1 O ATOM 7274 H1 TIP3 1447 16.423 -11.989 0.657 1.00 0.00 WT1 H ATOM 7275 H2 TIP3 1447 -11.310 5.038 -0.313 1.00 0.00 WT1 H ATOM 7276 OH2 TIP3 1448 5.037 2.960 3.729 1.00 0.00 WT1 O ATOM 7277 H1 TIP3 1448 -11.831 12.032 31.679 1.00 0.00 WT1 H ATOM 7278 H2 TIP3 1448 24.413 8.483 11.522 1.00 0.00 WT1 H ATOM 7279 OH2 TIP3 1449 -1.891 -7.838 7.229 1.00 0.00 WT1 O ATOM 7280 H1 TIP3 1449 4.790 -11.313 2.522 1.00 0.00 WT1 H ATOM 7281 H2 TIP3 1449 -13.562 -0.674 10.619 1.00 0.00 WT1 H ATOM 7282 OH2 TIP3 1450 -1.873 -2.526 2.598 1.00 0.00 WT1 O ATOM 7283 H1 TIP3 1450 12.923 15.964 3.149 1.00 0.00 WT1 H ATOM 7284 H2 TIP3 1450 -20.906 3.934 -7.110 1.00 0.00 WT1 H ATOM 7285 OH2 TIP3 1451 2.460 -0.973 -3.222 1.00 0.00 WT1 O ATOM 7286 H1 TIP3 1451 4.190 3.382 -12.207 1.00 0.00 WT1 H ATOM 7287 H2 TIP3 1451 13.144 28.015 -11.615 1.00 0.00 WT1 H ATOM 7288 OH2 TIP3 1453 0.941 -1.252 -0.670 1.00 0.00 WT1 O ATOM 7289 H1 TIP3 1453 21.524 -18.780 -10.364 1.00 0.00 WT1 H ATOM 7290 H2 TIP3 1453 -4.313 8.499 8.764 1.00 0.00 WT1 H ATOM 7291 OH2 TIP3 1454 -0.849 -0.730 4.176 1.00 0.00 WT1 O ATOM 7292 H1 TIP3 1454 -10.729 2.719 8.205 1.00 0.00 WT1 H ATOM 7293 H2 TIP3 1454 -2.439 3.371 -1.172 1.00 0.00 WT1 H ATOM 7294 OH2 TIP3 1455 -0.601 1.351 0.564 1.00 0.00 WT1 O ATOM 7295 H1 TIP3 1455 -6.823 7.122 13.505 1.00 0.00 WT1 H ATOM 7296 H2 TIP3 1455 11.330 3.547 1.351 1.00 0.00 WT1 H ATOM 7297 OH2 TIP3 1456 -2.341 -0.081 -0.445 1.00 0.00 WT1 O ATOM 7298 H1 TIP3 1456 9.896 -9.410 2.269 1.00 0.00 WT1 H ATOM 7299 H2 TIP3 1456 -22.104 -3.188 -15.511 1.00 0.00 WT1 H ATOM 7300 OH2 TIP3 1457 0.506 -2.942 0.031 1.00 0.00 WT1 O ATOM 7301 H1 TIP3 1457 -3.953 4.938 15.469 1.00 0.00 WT1 H ATOM 7302 H2 TIP3 1457 -0.396 -28.397 7.831 1.00 0.00 WT1 H ATOM 7303 OH2 TIP3 1458 -5.684 -7.728 -4.642 1.00 0.00 WT1 O ATOM 7304 H1 TIP3 1458 -3.070 -15.056 -0.603 1.00 0.00 WT1 H ATOM 7305 H2 TIP3 1458 -2.594 2.793 -28.335 1.00 0.00 WT1 H ATOM 7306 OH2 TIP3 1459 -1.581 0.874 -3.550 1.00 0.00 WT1 O ATOM 7307 H1 TIP3 1459 8.952 -5.498 -18.607 1.00 0.00 WT1 H ATOM 7308 H2 TIP3 1459 -11.494 18.928 7.756 1.00 0.00 WT1 H ATOM 7309 OH2 TIP3 1461 4.230 2.826 4.375 1.00 0.00 WT1 O ATOM 7310 H1 TIP3 1461 11.690 14.104 14.247 1.00 0.00 WT1 H ATOM 7311 H2 TIP3 1461 6.252 3.698 3.625 1.00 0.00 WT1 H ATOM 7312 OH2 TIP3 1462 6.509 -0.690 -8.923 1.00 0.00 WT1 O ATOM 7313 H1 TIP3 1462 -15.837 -10.310 2.046 1.00 0.00 WT1 H ATOM 7314 H2 TIP3 1462 -9.018 -4.727 -6.107 1.00 0.00 WT1 H ATOM 7315 OH2 TIP3 1463 -0.755 -8.032 -5.588 1.00 0.00 WT1 O ATOM 7316 H1 TIP3 1463 24.974 -14.617 1.198 1.00 0.00 WT1 H ATOM 7317 H2 TIP3 1463 -9.489 -7.884 4.622 1.00 0.00 WT1 H ATOM 7318 OH2 TIP3 1464 5.047 0.729 -8.082 1.00 0.00 WT1 O ATOM 7319 H1 TIP3 1464 13.502 5.648 13.130 1.00 0.00 WT1 H ATOM 7320 H2 TIP3 1464 10.558 4.603 10.098 1.00 0.00 WT1 H ATOM 7321 OH2 TIP3 1466 1.967 -0.561 9.292 1.00 0.00 WT1 O ATOM 7322 H1 TIP3 1466 0.611 -5.928 12.792 1.00 0.00 WT1 H ATOM 7323 H2 TIP3 1466 6.541 3.561 10.023 1.00 0.00 WT1 H ATOM 7324 OH2 TIP3 1467 -5.908 1.194 -5.415 1.00 0.00 WT1 O ATOM 7325 H1 TIP3 1467 30.519 14.383 38.049 1.00 0.00 WT1 H ATOM 7326 H2 TIP3 1467 -1.101 7.576 -21.928 1.00 0.00 WT1 H ATOM 7327 OH2 TIP3 1468 -3.181 4.527 4.745 1.00 0.00 WT1 O ATOM 7328 H1 TIP3 1468 23.398 4.011 -2.401 1.00 0.00 WT1 H ATOM 7329 H2 TIP3 1468 3.860 8.947 -13.837 1.00 0.00 WT1 H ATOM 7330 OH2 TIP3 1469 1.571 5.781 0.975 1.00 0.00 WT1 O ATOM 7331 H1 TIP3 1469 21.988 -12.518 -9.370 1.00 0.00 WT1 H ATOM 7332 H2 TIP3 1469 -5.672 18.044 3.125 1.00 0.00 WT1 H ATOM 7333 OH2 TIP3 1470 0.540 -1.395 -7.032 1.00 0.00 WT1 O ATOM 7334 H1 TIP3 1470 -1.763 -1.937 -3.930 1.00 0.00 WT1 H ATOM 7335 H2 TIP3 1470 12.871 9.677 -32.896 1.00 0.00 WT1 H ATOM 7336 OH2 TIP3 1471 4.040 -2.164 -2.903 1.00 0.00 WT1 O ATOM 7337 H1 TIP3 1471 -7.564 8.224 14.455 1.00 0.00 WT1 H ATOM 7338 H2 TIP3 1471 29.225 -23.584 9.352 1.00 0.00 WT1 H ATOM 7339 OH2 TIP3 1472 0.637 2.210 4.024 1.00 0.00 WT1 O ATOM 7340 H1 TIP3 1472 4.065 8.121 12.248 1.00 0.00 WT1 H ATOM 7341 H2 TIP3 1472 -11.069 9.501 -5.412 1.00 0.00 WT1 H ATOM 7342 OH2 TIP3 1473 11.368 -2.408 -1.389 1.00 0.00 WT1 O ATOM 7343 H1 TIP3 1473 4.587 -19.863 -10.984 1.00 0.00 WT1 H ATOM 7344 H2 TIP3 1473 23.576 -0.036 0.946 1.00 0.00 WT1 H ATOM 7345 OH2 TIP3 1474 0.872 -5.336 4.043 1.00 0.00 WT1 O ATOM 7346 H1 TIP3 1474 -7.818 2.839 12.048 1.00 0.00 WT1 H ATOM 7347 H2 TIP3 1474 -2.074 -4.744 13.109 1.00 0.00 WT1 H ATOM 7348 OH2 TIP3 1475 -0.996 7.462 -4.644 1.00 0.00 WT1 O ATOM 7349 H1 TIP3 1475 -3.031 7.721 -12.940 1.00 0.00 WT1 H ATOM 7350 H2 TIP3 1475 2.354 -11.768 -4.384 1.00 0.00 WT1 H ATOM 7351 OH2 TIP3 1476 -5.388 -0.367 -2.954 1.00 0.00 WT1 O ATOM 7352 H1 TIP3 1476 -3.732 4.535 -5.682 1.00 0.00 WT1 H ATOM 7353 H2 TIP3 1476 -7.411 -2.399 -12.246 1.00 0.00 WT1 H ATOM 7354 OH2 TIP3 1477 -2.433 3.025 -10.765 1.00 0.00 WT1 O ATOM 7355 H1 TIP3 1477 -7.686 19.919 -22.433 1.00 0.00 WT1 H ATOM 7356 H2 TIP3 1477 2.982 15.516 -3.062 1.00 0.00 WT1 H ATOM 7357 OH2 TIP3 1478 -0.718 1.644 2.276 1.00 0.00 WT1 O ATOM 7358 H1 TIP3 1478 2.639 11.470 3.580 1.00 0.00 WT1 H ATOM 7359 H2 TIP3 1478 2.910 -8.345 2.995 1.00 0.00 WT1 H ATOM 7360 OH2 TIP3 1479 2.306 -3.884 -1.849 1.00 0.00 WT1 O ATOM 7361 H1 TIP3 1479 4.150 16.317 -6.258 1.00 0.00 WT1 H ATOM 7362 H2 TIP3 1479 -27.272 6.964 2.848 1.00 0.00 WT1 H ATOM 7363 OH2 TIP3 1480 -0.805 -1.820 -3.606 1.00 0.00 WT1 O ATOM 7364 H1 TIP3 1480 11.943 4.355 -1.626 1.00 0.00 WT1 H ATOM 7365 H2 TIP3 1480 4.261 -5.671 -9.574 1.00 0.00 WT1 H ATOM 7366 OH2 TIP3 1482 0.960 2.961 -0.011 1.00 0.00 WT1 O ATOM 7367 H1 TIP3 1482 5.786 8.662 -0.185 1.00 0.00 WT1 H ATOM 7368 H2 TIP3 1482 4.510 -4.099 -2.256 1.00 0.00 WT1 H ATOM 7369 OH2 TIP3 1483 -1.516 1.240 1.618 1.00 0.00 WT1 O ATOM 7370 H1 TIP3 1483 -11.206 4.272 26.909 1.00 0.00 WT1 H ATOM 7371 H2 TIP3 1483 3.022 -2.664 -1.785 1.00 0.00 WT1 H ATOM 7372 OH2 TIP3 1484 3.613 2.187 3.146 1.00 0.00 WT1 O ATOM 7373 H1 TIP3 1484 11.029 -7.850 20.882 1.00 0.00 WT1 H ATOM 7374 H2 TIP3 1484 -1.036 0.976 0.996 1.00 0.00 WT1 H ATOM 7375 OH2 TIP3 1485 0.697 -3.024 -1.696 1.00 0.00 WT1 O ATOM 7376 H1 TIP3 1485 -5.802 -13.013 -21.704 1.00 0.00 WT1 H ATOM 7377 H2 TIP3 1485 -38.258 -12.594 -12.988 1.00 0.00 WT1 H ATOM 7378 OH2 TIP3 1486 -4.519 -2.179 -1.572 1.00 0.00 WT1 O ATOM 7379 H1 TIP3 1486 -17.739 -2.016 -8.453 1.00 0.00 WT1 H ATOM 7380 H2 TIP3 1486 19.514 -5.244 0.129 1.00 0.00 WT1 H ATOM 7381 OH2 TIP3 1487 -2.261 -2.526 0.528 1.00 0.00 WT1 O ATOM 7382 H1 TIP3 1487 -12.028 -10.694 -10.011 1.00 0.00 WT1 H ATOM 7383 H2 TIP3 1487 -2.884 2.829 15.280 1.00 0.00 WT1 H ATOM 7384 OH2 TIP3 1488 -0.780 -0.444 -3.567 1.00 0.00 WT1 O ATOM 7385 H1 TIP3 1488 10.125 19.340 12.411 1.00 0.00 WT1 H ATOM 7386 H2 TIP3 1488 -12.122 2.060 -14.965 1.00 0.00 WT1 H ATOM 7387 OH2 TIP3 1489 -1.793 -1.092 3.433 1.00 0.00 WT1 O ATOM 7388 H1 TIP3 1489 21.322 -4.111 3.416 1.00 0.00 WT1 H ATOM 7389 H2 TIP3 1489 -4.683 -50.950 13.029 1.00 0.00 WT1 H ATOM 7390 OH2 TIP3 1490 0.430 1.699 -5.642 1.00 0.00 WT1 O ATOM 7391 H1 TIP3 1490 25.601 25.593 1.243 1.00 0.00 WT1 H ATOM 7392 H2 TIP3 1490 -1.876 -3.928 -11.008 1.00 0.00 WT1 H ATOM 7393 OH2 TIP3 1491 0.260 -0.386 2.044 1.00 0.00 WT1 O ATOM 7394 H1 TIP3 1491 -25.439 4.810 27.995 1.00 0.00 WT1 H ATOM 7395 H2 TIP3 1491 17.096 -20.735 11.057 1.00 0.00 WT1 H ATOM 7396 OH2 TIP3 1492 0.548 1.898 -5.661 1.00 0.00 WT1 O ATOM 7397 H1 TIP3 1492 12.471 10.644 -2.357 1.00 0.00 WT1 H ATOM 7398 H2 TIP3 1492 -12.999 -7.206 17.073 1.00 0.00 WT1 H ATOM 7399 OH2 TIP3 1493 -0.943 0.710 2.255 1.00 0.00 WT1 O ATOM 7400 H1 TIP3 1493 19.214 -10.902 -10.016 1.00 0.00 WT1 H ATOM 7401 H2 TIP3 1493 1.552 0.835 0.420 1.00 0.00 WT1 H ATOM 7402 OH2 TIP3 1494 1.310 -4.742 -5.174 1.00 0.00 WT1 O ATOM 7403 H1 TIP3 1494 3.140 -5.720 -6.655 1.00 0.00 WT1 H ATOM 7404 H2 TIP3 1494 -0.621 -4.575 -8.002 1.00 0.00 WT1 H ATOM 7405 OH2 TIP3 1495 1.459 -1.193 0.212 1.00 0.00 WT1 O ATOM 7406 H1 TIP3 1495 -11.166 10.604 17.178 1.00 0.00 WT1 H ATOM 7407 H2 TIP3 1495 2.997 -0.570 3.306 1.00 0.00 WT1 H ATOM 7408 OH2 TIP3 1496 -2.140 5.064 2.071 1.00 0.00 WT1 O ATOM 7409 H1 TIP3 1496 -14.610 -7.690 7.151 1.00 0.00 WT1 H ATOM 7410 H2 TIP3 1496 9.505 4.356 5.949 1.00 0.00 WT1 H ATOM 7411 OH2 TIP3 1497 8.613 1.283 1.505 1.00 0.00 WT1 O ATOM 7412 H1 TIP3 1497 -23.920 -22.131 35.364 1.00 0.00 WT1 H ATOM 7413 H2 TIP3 1497 -5.304 1.698 -4.134 1.00 0.00 WT1 H ATOM 7414 OH2 TIP3 1498 7.241 -2.662 4.551 1.00 0.00 WT1 O ATOM 7415 H1 TIP3 1498 4.278 -5.133 1.266 1.00 0.00 WT1 H ATOM 7416 H2 TIP3 1498 10.503 6.586 2.518 1.00 0.00 WT1 H ATOM 7417 OH2 TIP3 1499 1.384 0.853 3.507 1.00 0.00 WT1 O ATOM 7418 H1 TIP3 1499 -2.728 -12.796 -5.142 1.00 0.00 WT1 H ATOM 7419 H2 TIP3 1499 -5.069 -11.138 21.571 1.00 0.00 WT1 H ATOM 7420 OH2 TIP3 1500 1.834 -3.815 -4.935 1.00 0.00 WT1 O ATOM 7421 H1 TIP3 1500 11.619 0.952 -4.370 1.00 0.00 WT1 H ATOM 7422 H2 TIP3 1500 -17.159 -11.914 7.464 1.00 0.00 WT1 H ATOM 7423 OH2 TIP3 1501 1.966 -2.006 -8.144 1.00 0.00 WT1 O ATOM 7424 H1 TIP3 1501 7.985 -11.058 -5.257 1.00 0.00 WT1 H ATOM 7425 H2 TIP3 1501 2.884 10.019 4.577 1.00 0.00 WT1 H ATOM 7426 OH2 TIP3 1502 1.073 3.749 -0.696 1.00 0.00 WT1 O ATOM 7427 H1 TIP3 1502 3.353 -5.129 3.839 1.00 0.00 WT1 H ATOM 7428 H2 TIP3 1502 -13.368 -2.268 10.545 1.00 0.00 WT1 H ATOM 7429 OH2 TIP3 1503 -5.416 5.729 -2.561 1.00 0.00 WT1 O ATOM 7430 H1 TIP3 1503 -14.410 -7.991 -16.238 1.00 0.00 WT1 H ATOM 7431 H2 TIP3 1503 9.588 -0.866 -2.094 1.00 0.00 WT1 H ATOM 7432 OH2 TIP3 1504 -3.997 -7.947 1.160 1.00 0.00 WT1 O ATOM 7433 H1 TIP3 1504 -4.924 17.221 -6.697 1.00 0.00 WT1 H ATOM 7434 H2 TIP3 1504 -3.457 2.174 -7.124 1.00 0.00 WT1 H ATOM 7435 OH2 TIP3 1505 3.578 0.821 -2.758 1.00 0.00 WT1 O ATOM 7436 H1 TIP3 1505 4.791 2.420 2.859 1.00 0.00 WT1 H ATOM 7437 H2 TIP3 1505 1.656 -3.501 -19.019 1.00 0.00 WT1 H ATOM 7438 OH2 TIP3 1508 1.257 -4.728 -1.944 1.00 0.00 WT1 O ATOM 7439 H1 TIP3 1508 7.448 -0.290 2.335 1.00 0.00 WT1 H ATOM 7440 H2 TIP3 1508 7.467 3.629 -5.498 1.00 0.00 WT1 H ATOM 7441 OH2 TIP3 1509 3.131 4.682 1.695 1.00 0.00 WT1 O ATOM 7442 H1 TIP3 1509 -9.726 -4.541 -9.791 1.00 0.00 WT1 H ATOM 7443 H2 TIP3 1509 19.315 -3.948 -1.723 1.00 0.00 WT1 H ATOM 7444 OH2 TIP3 1510 -0.847 6.077 -2.246 1.00 0.00 WT1 O ATOM 7445 H1 TIP3 1510 -13.742 -14.546 -21.282 1.00 0.00 WT1 H ATOM 7446 H2 TIP3 1510 7.956 32.513 -27.038 1.00 0.00 WT1 H ATOM 7447 OH2 TIP3 1511 -1.660 -2.020 -8.011 1.00 0.00 WT1 O ATOM 7448 H1 TIP3 1511 -23.261 -11.151 -12.918 1.00 0.00 WT1 H ATOM 7449 H2 TIP3 1511 8.439 -19.392 16.419 1.00 0.00 WT1 H ATOM 7450 OH2 TIP3 1512 0.598 1.340 2.299 1.00 0.00 WT1 O ATOM 7451 H1 TIP3 1512 -5.521 -2.919 16.241 1.00 0.00 WT1 H ATOM 7452 H2 TIP3 1512 8.941 6.315 -16.491 1.00 0.00 WT1 H ATOM 7453 OH2 TIP3 1514 -5.524 6.314 -3.409 1.00 0.00 WT1 O ATOM 7454 H1 TIP3 1514 1.621 2.987 10.428 1.00 0.00 WT1 H ATOM 7455 H2 TIP3 1514 -29.057 10.441 1.949 1.00 0.00 WT1 H ATOM 7456 OH2 TIP3 1515 -4.089 1.837 0.770 1.00 0.00 WT1 O ATOM 7457 H1 TIP3 1515 -15.381 -9.314 -20.719 1.00 0.00 WT1 H ATOM 7458 H2 TIP3 1515 -19.146 -11.046 -10.320 1.00 0.00 WT1 H ATOM 7459 OH2 TIP3 1516 -4.275 -6.713 -2.837 1.00 0.00 WT1 O ATOM 7460 H1 TIP3 1516 1.774 -10.177 2.662 1.00 0.00 WT1 H ATOM 7461 H2 TIP3 1516 -6.300 -0.543 -4.722 1.00 0.00 WT1 H ATOM 7462 OH2 TIP3 1517 1.070 -7.468 -2.761 1.00 0.00 WT1 O ATOM 7463 H1 TIP3 1517 3.670 -11.384 20.631 1.00 0.00 WT1 H ATOM 7464 H2 TIP3 1517 -8.294 -20.945 4.078 1.00 0.00 WT1 H ATOM 7465 OH2 TIP3 1518 3.430 2.804 -0.343 1.00 0.00 WT1 O ATOM 7466 H1 TIP3 1518 6.138 -8.658 12.750 1.00 0.00 WT1 H ATOM 7467 H2 TIP3 1518 6.729 -6.426 -29.797 1.00 0.00 WT1 H ATOM 7468 OH2 TIP3 1519 6.526 -1.408 0.697 1.00 0.00 WT1 O ATOM 7469 H1 TIP3 1519 16.169 14.520 9.937 1.00 0.00 WT1 H ATOM 7470 H2 TIP3 1519 7.242 7.325 0.656 1.00 0.00 WT1 H ATOM 7471 OH2 TIP3 1520 -3.833 -6.186 -7.704 1.00 0.00 WT1 O ATOM 7472 H1 TIP3 1520 -12.495 -11.457 -13.805 1.00 0.00 WT1 H ATOM 7473 H2 TIP3 1520 -9.298 -1.209 -5.908 1.00 0.00 WT1 H ATOM 7474 OH2 TIP3 1521 1.111 -5.339 4.122 1.00 0.00 WT1 O ATOM 7475 H1 TIP3 1521 15.809 -7.057 14.242 1.00 0.00 WT1 H ATOM 7476 H2 TIP3 1521 16.318 -11.505 19.116 1.00 0.00 WT1 H ATOM 7477 OH2 TIP3 1522 -6.702 -4.890 -0.360 1.00 0.00 WT1 O ATOM 7478 H1 TIP3 1522 -9.697 -25.156 14.803 1.00 0.00 WT1 H ATOM 7479 H2 TIP3 1522 11.766 -5.884 15.663 1.00 0.00 WT1 H ATOM 7480 OH2 TIP3 1523 2.724 1.612 -1.225 1.00 0.00 WT1 O ATOM 7481 H1 TIP3 1523 -9.044 -7.958 9.581 1.00 0.00 WT1 H ATOM 7482 H2 TIP3 1523 6.713 -2.342 -4.872 1.00 0.00 WT1 H ATOM 7483 OH2 TIP3 1524 -0.542 3.958 -7.899 1.00 0.00 WT1 O ATOM 7484 H1 TIP3 1524 -1.711 2.601 -3.296 1.00 0.00 WT1 H ATOM 7485 H2 TIP3 1524 0.892 0.610 -10.107 1.00 0.00 WT1 H ATOM 7486 OH2 TIP3 1525 0.263 0.541 3.847 1.00 0.00 WT1 O ATOM 7487 H1 TIP3 1525 -0.349 -5.810 10.477 1.00 0.00 WT1 H ATOM 7488 H2 TIP3 1525 2.881 -5.657 -13.326 1.00 0.00 WT1 H ATOM 7489 OH2 TIP3 1527 2.198 -1.581 -2.588 1.00 0.00 WT1 O ATOM 7490 H1 TIP3 1527 -18.386 -0.645 -3.861 1.00 0.00 WT1 H ATOM 7491 H2 TIP3 1527 9.966 -13.011 21.508 1.00 0.00 WT1 H ATOM 7492 OH2 TIP3 1530 -0.701 -0.761 3.090 1.00 0.00 WT1 O ATOM 7493 H1 TIP3 1530 -18.382 2.836 -11.284 1.00 0.00 WT1 H ATOM 7494 H2 TIP3 1530 32.129 -15.583 27.906 1.00 0.00 WT1 H ATOM 7495 OH2 TIP3 1531 -2.958 -7.936 -2.567 1.00 0.00 WT1 O ATOM 7496 H1 TIP3 1531 -2.048 -24.336 -13.717 1.00 0.00 WT1 H ATOM 7497 H2 TIP3 1531 -1.957 8.838 -0.372 1.00 0.00 WT1 H ATOM 7498 OH2 TIP3 1532 2.675 -4.165 3.806 1.00 0.00 WT1 O ATOM 7499 H1 TIP3 1532 7.578 -8.791 11.005 1.00 0.00 WT1 H ATOM 7500 H2 TIP3 1532 5.174 0.279 6.936 1.00 0.00 WT1 H ATOM 7501 OH2 TIP3 1533 -4.868 0.124 -0.893 1.00 0.00 WT1 O ATOM 7502 H1 TIP3 1533 -7.234 1.106 -4.318 1.00 0.00 WT1 H ATOM 7503 H2 TIP3 1533 -7.017 -2.583 1.122 1.00 0.00 WT1 H ATOM 7504 OH2 TIP3 1534 4.527 2.940 -1.691 1.00 0.00 WT1 O ATOM 7505 H1 TIP3 1534 5.480 -4.585 6.604 1.00 0.00 WT1 H ATOM 7506 H2 TIP3 1534 -6.081 5.739 -1.373 1.00 0.00 WT1 H ATOM 7507 OH2 TIP3 1536 4.931 1.734 9.165 1.00 0.00 WT1 O ATOM 7508 H1 TIP3 1536 -4.613 -8.307 11.650 1.00 0.00 WT1 H ATOM 7509 H2 TIP3 1536 3.161 4.029 -4.456 1.00 0.00 WT1 H ATOM 7510 OH2 TIP3 1537 2.165 0.526 7.384 1.00 0.00 WT1 O ATOM 7511 H1 TIP3 1537 -5.089 6.793 -11.960 1.00 0.00 WT1 H ATOM 7512 H2 TIP3 1537 11.223 10.156 13.536 1.00 0.00 WT1 H ATOM 7513 OH2 TIP3 1538 -3.873 1.430 -2.062 1.00 0.00 WT1 O ATOM 7514 H1 TIP3 1538 2.753 11.414 -2.700 1.00 0.00 WT1 H ATOM 7515 H2 TIP3 1538 4.578 12.778 21.223 1.00 0.00 WT1 H ATOM 7516 OH2 TIP3 1539 5.885 -3.299 1.459 1.00 0.00 WT1 O ATOM 7517 H1 TIP3 1539 -2.693 4.021 4.574 1.00 0.00 WT1 H ATOM 7518 H2 TIP3 1539 8.101 -4.093 -25.526 1.00 0.00 WT1 H ATOM 7519 OH2 TIP3 1540 -3.111 -5.669 -5.090 1.00 0.00 WT1 O ATOM 7520 H1 TIP3 1540 4.430 1.247 2.496 1.00 0.00 WT1 H ATOM 7521 H2 TIP3 1540 11.541 -3.778 -0.165 1.00 0.00 WT1 H ATOM 7522 OH2 TIP3 1541 5.595 0.923 -1.587 1.00 0.00 WT1 O ATOM 7523 H1 TIP3 1541 15.127 2.259 11.263 1.00 0.00 WT1 H ATOM 7524 H2 TIP3 1541 25.206 -6.183 8.053 1.00 0.00 WT1 H ATOM 7525 OH2 TIP3 1542 -1.539 3.981 7.360 1.00 0.00 WT1 O ATOM 7526 H1 TIP3 1542 7.359 5.938 -12.727 1.00 0.00 WT1 H ATOM 7527 H2 TIP3 1542 -8.665 2.523 -17.310 1.00 0.00 WT1 H ATOM 7528 OH2 TIP3 1543 4.649 3.045 3.959 1.00 0.00 WT1 O ATOM 7529 H1 TIP3 1543 20.143 17.124 -13.627 1.00 0.00 WT1 H ATOM 7530 H2 TIP3 1543 -12.533 -19.425 24.408 1.00 0.00 WT1 H ATOM 7531 OH2 TIP3 1544 0.166 -3.060 -0.946 1.00 0.00 WT1 O ATOM 7532 H1 TIP3 1544 -2.443 1.953 17.870 1.00 0.00 WT1 H ATOM 7533 H2 TIP3 1544 -0.475 1.110 10.561 1.00 0.00 WT1 H ATOM 7534 OH2 TIP3 1545 -8.702 -0.219 -0.072 1.00 0.00 WT1 O ATOM 7535 H1 TIP3 1545 -12.080 -1.023 0.034 1.00 0.00 WT1 H ATOM 7536 H2 TIP3 1545 6.571 -1.404 1.592 1.00 0.00 WT1 H ATOM 7537 OH2 TIP3 1546 6.821 -7.831 -1.048 1.00 0.00 WT1 O ATOM 7538 H1 TIP3 1546 1.757 12.543 -20.469 1.00 0.00 WT1 H ATOM 7539 H2 TIP3 1546 -20.914 -5.749 13.967 1.00 0.00 WT1 H ATOM 7540 OH2 TIP3 1548 1.503 -2.505 2.121 1.00 0.00 WT1 O ATOM 7541 H1 TIP3 1548 6.260 -0.150 6.460 1.00 0.00 WT1 H ATOM 7542 H2 TIP3 1548 2.290 -1.834 3.275 1.00 0.00 WT1 H ATOM 7543 OH2 TIP3 1549 -4.153 -7.691 2.127 1.00 0.00 WT1 O ATOM 7544 H1 TIP3 1549 -7.189 -15.180 1.115 1.00 0.00 WT1 H ATOM 7545 H2 TIP3 1549 -10.710 -4.084 9.688 1.00 0.00 WT1 H ATOM 7546 OH2 TIP3 1550 3.505 5.051 3.067 1.00 0.00 WT1 O ATOM 7547 H1 TIP3 1550 -11.484 -5.345 2.207 1.00 0.00 WT1 H ATOM 7548 H2 TIP3 1550 11.109 9.456 -1.993 1.00 0.00 WT1 H ATOM 7549 OH2 TIP3 1551 -1.689 -0.220 -1.134 1.00 0.00 WT1 O ATOM 7550 H1 TIP3 1551 12.080 19.069 -3.408 1.00 0.00 WT1 H ATOM 7551 H2 TIP3 1551 12.712 -34.916 -3.688 1.00 0.00 WT1 H ATOM 7552 OH2 TIP3 1552 -1.237 -3.861 -6.423 1.00 0.00 WT1 O ATOM 7553 H1 TIP3 1552 6.088 0.727 4.199 1.00 0.00 WT1 H ATOM 7554 H2 TIP3 1552 1.260 -9.698 9.198 1.00 0.00 WT1 H ATOM 7555 OH2 TIP3 1553 2.811 4.669 -4.781 1.00 0.00 WT1 O ATOM 7556 H1 TIP3 1553 5.402 -3.925 -8.745 1.00 0.00 WT1 H ATOM 7557 H2 TIP3 1553 0.852 -6.216 -5.765 1.00 0.00 WT1 H ATOM 7558 OH2 TIP3 1554 -1.020 -3.924 -3.358 1.00 0.00 WT1 O ATOM 7559 H1 TIP3 1554 2.764 8.065 -17.142 1.00 0.00 WT1 H ATOM 7560 H2 TIP3 1554 -8.067 -18.844 21.486 1.00 0.00 WT1 H ATOM 7561 OH2 TIP3 1555 -4.971 -2.096 -4.374 1.00 0.00 WT1 O ATOM 7562 H1 TIP3 1555 -0.405 -6.765 -20.885 1.00 0.00 WT1 H ATOM 7563 H2 TIP3 1555 -10.417 -1.303 -11.422 1.00 0.00 WT1 H ATOM 7564 OH2 TIP3 1556 3.414 -4.269 2.462 1.00 0.00 WT1 O ATOM 7565 H1 TIP3 1556 27.817 1.662 -21.706 1.00 0.00 WT1 H ATOM 7566 H2 TIP3 1556 -5.275 -5.300 12.135 1.00 0.00 WT1 H ATOM 7567 OH2 TIP3 1557 4.778 0.436 -0.031 1.00 0.00 WT1 O ATOM 7568 H1 TIP3 1557 -1.738 0.244 17.130 1.00 0.00 WT1 H ATOM 7569 H2 TIP3 1557 -8.994 1.712 6.639 1.00 0.00 WT1 H ATOM 7570 OH2 TIP3 1558 3.824 -3.204 6.154 1.00 0.00 WT1 O ATOM 7571 H1 TIP3 1558 3.887 8.575 -2.879 1.00 0.00 WT1 H ATOM 7572 H2 TIP3 1558 -11.050 -5.320 9.256 1.00 0.00 WT1 H ATOM 7573 OH2 TIP3 1559 -7.147 -9.542 -1.690 1.00 0.00 WT1 O ATOM 7574 H1 TIP3 1559 -6.356 -16.601 -1.854 1.00 0.00 WT1 H ATOM 7575 H2 TIP3 1559 -3.519 -17.032 11.949 1.00 0.00 WT1 H ATOM 7576 OH2 TIP3 1560 4.747 5.128 -2.287 1.00 0.00 WT1 O ATOM 7577 H1 TIP3 1560 3.929 -2.695 12.481 1.00 0.00 WT1 H ATOM 7578 H2 TIP3 1560 -0.734 -7.567 -12.949 1.00 0.00 WT1 H ATOM 7579 OH2 TIP3 1561 2.324 2.504 -1.026 1.00 0.00 WT1 O ATOM 7580 H1 TIP3 1561 15.547 -13.191 6.295 1.00 0.00 WT1 H ATOM 7581 H2 TIP3 1561 -12.607 21.774 -5.416 1.00 0.00 WT1 H ATOM 7582 OH2 TIP3 1562 1.697 -0.636 2.201 1.00 0.00 WT1 O ATOM 7583 H1 TIP3 1562 -19.232 0.984 -10.742 1.00 0.00 WT1 H ATOM 7584 H2 TIP3 1562 3.953 1.640 6.115 1.00 0.00 WT1 H ATOM 7585 OH2 TIP3 1563 -1.624 -4.361 8.535 1.00 0.00 WT1 O ATOM 7586 H1 TIP3 1563 0.927 12.862 26.989 1.00 0.00 WT1 H ATOM 7587 H2 TIP3 1563 -0.141 -1.324 10.632 1.00 0.00 WT1 H ATOM 7588 OH2 TIP3 1564 -5.244 4.548 0.611 1.00 0.00 WT1 O ATOM 7589 H1 TIP3 1564 -21.667 -8.162 12.226 1.00 0.00 WT1 H ATOM 7590 H2 TIP3 1564 -11.324 1.501 -21.939 1.00 0.00 WT1 H ATOM 7591 OH2 TIP3 1565 3.252 -9.359 -0.266 1.00 0.00 WT1 O ATOM 7592 H1 TIP3 1565 16.019 5.721 0.984 1.00 0.00 WT1 H ATOM 7593 H2 TIP3 1565 -9.574 -3.719 15.721 1.00 0.00 WT1 H ATOM 7594 OH2 TIP3 1566 0.895 3.777 -1.465 1.00 0.00 WT1 O ATOM 7595 H1 TIP3 1566 -0.659 16.116 -24.394 1.00 0.00 WT1 H ATOM 7596 H2 TIP3 1566 -1.981 7.128 -11.552 1.00 0.00 WT1 H ATOM 7597 OH2 TIP3 1567 -4.426 -8.038 0.645 1.00 0.00 WT1 O ATOM 7598 H1 TIP3 1567 -0.272 -2.784 5.670 1.00 0.00 WT1 H ATOM 7599 H2 TIP3 1567 -18.223 -20.857 -16.457 1.00 0.00 WT1 H ATOM 7600 OH2 TIP3 1569 -0.251 2.653 -0.984 1.00 0.00 WT1 O ATOM 7601 H1 TIP3 1569 4.695 -0.525 1.441 1.00 0.00 WT1 H ATOM 7602 H2 TIP3 1569 11.435 2.553 1.965 1.00 0.00 WT1 H ATOM 7603 OH2 TIP3 1570 -0.971 -0.896 5.087 1.00 0.00 WT1 O ATOM 7604 H1 TIP3 1570 -8.229 1.976 10.598 1.00 0.00 WT1 H ATOM 7605 H2 TIP3 1570 5.356 -4.347 6.241 1.00 0.00 WT1 H ATOM 7606 OH2 TIP3 1571 -3.072 7.512 0.908 1.00 0.00 WT1 O ATOM 7607 H1 TIP3 1571 20.391 0.134 -28.387 1.00 0.00 WT1 H ATOM 7608 H2 TIP3 1571 -20.725 23.188 17.366 1.00 0.00 WT1 H ATOM 7609 OH2 TIP3 1572 2.336 -4.779 -3.794 1.00 0.00 WT1 O ATOM 7610 H1 TIP3 1572 -4.616 -3.527 8.168 1.00 0.00 WT1 H ATOM 7611 H2 TIP3 1572 15.011 7.379 -22.716 1.00 0.00 WT1 H ATOM 7612 OH2 TIP3 1574 3.670 -2.864 -1.346 1.00 0.00 WT1 O ATOM 7613 H1 TIP3 1574 14.780 -8.608 -12.075 1.00 0.00 WT1 H ATOM 7614 H2 TIP3 1574 2.361 -5.085 -1.478 1.00 0.00 WT1 H ATOM 7615 OH2 TIP3 1575 -1.629 3.269 -2.414 1.00 0.00 WT1 O ATOM 7616 H1 TIP3 1575 4.748 23.195 10.795 1.00 0.00 WT1 H ATOM 7617 H2 TIP3 1575 -21.871 -12.043 7.030 1.00 0.00 WT1 H ATOM 7618 OH2 TIP3 1576 0.666 -1.003 10.350 1.00 0.00 WT1 O ATOM 7619 H1 TIP3 1576 -9.225 10.853 0.166 1.00 0.00 WT1 H ATOM 7620 H2 TIP3 1576 -10.739 -12.829 -36.943 1.00 0.00 WT1 H ATOM 7621 OH2 TIP3 1577 1.626 -9.477 -3.137 1.00 0.00 WT1 O ATOM 7622 H1 TIP3 1577 -20.315 5.380 -8.618 1.00 0.00 WT1 H ATOM 7623 H2 TIP3 1577 20.056 -3.466 -7.277 1.00 0.00 WT1 H ATOM 7624 OH2 TIP3 1578 0.013 0.734 -1.535 1.00 0.00 WT1 O ATOM 7625 H1 TIP3 1578 -17.993 -8.624 -3.357 1.00 0.00 WT1 H ATOM 7626 H2 TIP3 1578 2.572 25.879 32.043 1.00 0.00 WT1 H ATOM 7627 OH2 TIP3 1579 4.069 3.909 -4.369 1.00 0.00 WT1 O ATOM 7628 H1 TIP3 1579 18.055 0.188 -7.829 1.00 0.00 WT1 H ATOM 7629 H2 TIP3 1579 6.118 16.336 -15.248 1.00 0.00 WT1 H ATOM 7630 OH2 TIP3 1580 -2.863 1.319 -0.749 1.00 0.00 WT1 O ATOM 7631 H1 TIP3 1580 -2.544 -25.223 10.428 1.00 0.00 WT1 H ATOM 7632 H2 TIP3 1580 -8.486 14.690 -4.274 1.00 0.00 WT1 H ATOM 7633 OH2 TIP3 1581 -0.229 1.892 -3.415 1.00 0.00 WT1 O ATOM 7634 H1 TIP3 1581 2.631 -24.606 5.899 1.00 0.00 WT1 H ATOM 7635 H2 TIP3 1581 13.664 -7.612 -0.721 1.00 0.00 WT1 H ATOM 7636 OH2 TIP3 1582 1.194 4.405 5.427 1.00 0.00 WT1 O ATOM 7637 H1 TIP3 1582 1.230 8.561 9.225 1.00 0.00 WT1 H ATOM 7638 H2 TIP3 1582 0.791 2.558 1.571 1.00 0.00 WT1 H ATOM 7639 OH2 TIP3 1583 1.398 -0.275 -1.544 1.00 0.00 WT1 O ATOM 7640 H1 TIP3 1583 1.317 6.487 -6.452 1.00 0.00 WT1 H ATOM 7641 H2 TIP3 1583 -9.223 -4.308 -1.390 1.00 0.00 WT1 H ATOM 7642 OH2 TIP3 1584 8.012 8.204 -0.612 1.00 0.00 WT1 O ATOM 7643 H1 TIP3 1584 -1.320 -12.992 6.214 1.00 0.00 WT1 H ATOM 7644 H2 TIP3 1584 -10.736 20.291 -14.907 1.00 0.00 WT1 H ATOM 7645 OH2 TIP3 1585 -1.613 -1.138 -5.325 1.00 0.00 WT1 O ATOM 7646 H1 TIP3 1585 4.213 11.492 -7.984 1.00 0.00 WT1 H ATOM 7647 H2 TIP3 1585 -1.228 9.224 14.876 1.00 0.00 WT1 H ATOM 7648 OH2 TIP3 1586 6.289 -3.679 -5.750 1.00 0.00 WT1 O ATOM 7649 H1 TIP3 1586 10.663 -17.014 -24.525 1.00 0.00 WT1 H ATOM 7650 H2 TIP3 1586 7.673 -2.957 -3.463 1.00 0.00 WT1 H ATOM 7651 OH2 TIP3 1587 -6.700 0.497 6.783 1.00 0.00 WT1 O ATOM 7652 H1 TIP3 1587 0.266 -9.467 6.253 1.00 0.00 WT1 H ATOM 7653 H2 TIP3 1587 -11.848 1.341 -4.182 1.00 0.00 WT1 H ATOM 7654 OH2 TIP3 1588 -3.605 -6.336 -1.155 1.00 0.00 WT1 O ATOM 7655 H1 TIP3 1588 -4.817 3.133 -0.205 1.00 0.00 WT1 H ATOM 7656 H2 TIP3 1588 7.819 -9.305 -2.085 1.00 0.00 WT1 H ATOM 7657 OH2 TIP3 1589 -2.006 2.590 2.187 1.00 0.00 WT1 O ATOM 7658 H1 TIP3 1589 8.972 -7.820 -5.214 1.00 0.00 WT1 H ATOM 7659 H2 TIP3 1589 -6.924 15.142 5.191 1.00 0.00 WT1 H ATOM 7660 OH2 TIP3 1590 -4.491 -2.792 -2.533 1.00 0.00 WT1 O ATOM 7661 H1 TIP3 1590 -3.645 -3.346 -14.658 1.00 0.00 WT1 H ATOM 7662 H2 TIP3 1590 -7.591 1.063 1.755 1.00 0.00 WT1 H ATOM 7663 OH2 TIP3 1591 -1.232 -1.193 -0.005 1.00 0.00 WT1 O ATOM 7664 H1 TIP3 1591 20.718 -6.442 39.957 1.00 0.00 WT1 H ATOM 7665 H2 TIP3 1591 -14.164 -3.570 6.306 1.00 0.00 WT1 H ATOM 7666 OH2 TIP3 1592 -1.962 3.101 2.550 1.00 0.00 WT1 O ATOM 7667 H1 TIP3 1592 -5.259 -2.825 -7.702 1.00 0.00 WT1 H ATOM 7668 H2 TIP3 1592 3.796 11.180 -5.906 1.00 0.00 WT1 H ATOM 7669 OH2 TIP3 1594 1.150 1.048 -0.071 1.00 0.00 WT1 O ATOM 7670 H1 TIP3 1594 21.974 20.193 -2.809 1.00 0.00 WT1 H ATOM 7671 H2 TIP3 1594 -9.191 7.277 23.076 1.00 0.00 WT1 H ATOM 7672 OH2 TIP3 1596 1.626 -1.645 5.714 1.00 0.00 WT1 O ATOM 7673 H1 TIP3 1596 27.499 -8.226 11.419 1.00 0.00 WT1 H ATOM 7674 H2 TIP3 1596 -3.158 18.503 -8.458 1.00 0.00 WT1 H ATOM 7675 OH2 TIP3 1597 -3.785 -4.340 -0.420 1.00 0.00 WT1 O ATOM 7676 H1 TIP3 1597 7.342 -0.603 7.228 1.00 0.00 WT1 H ATOM 7677 H2 TIP3 1597 13.080 -0.458 16.066 1.00 0.00 WT1 H ATOM 7678 OH2 TIP3 1598 -1.696 1.286 2.774 1.00 0.00 WT1 O ATOM 7679 H1 TIP3 1598 -4.923 -3.521 3.454 1.00 0.00 WT1 H ATOM 7680 H2 TIP3 1598 2.758 8.007 -0.047 1.00 0.00 WT1 H ATOM 7681 OH2 TIP3 1599 -1.882 7.512 -3.550 1.00 0.00 WT1 O ATOM 7682 H1 TIP3 1599 2.963 32.887 -2.903 1.00 0.00 WT1 H ATOM 7683 H2 TIP3 1599 -0.144 14.036 0.324 1.00 0.00 WT1 H ATOM 7684 OH2 TIP3 1600 1.548 6.699 -1.142 1.00 0.00 WT1 O ATOM 7685 H1 TIP3 1600 -9.740 -9.206 -1.543 1.00 0.00 WT1 H ATOM 7686 H2 TIP3 1600 27.405 -1.893 17.590 1.00 0.00 WT1 H ATOM 7687 OH2 TIP3 1601 -5.383 4.853 3.433 1.00 0.00 WT1 O ATOM 7688 H1 TIP3 1601 -6.595 17.696 10.004 1.00 0.00 WT1 H ATOM 7689 H2 TIP3 1601 -6.565 -14.871 -7.489 1.00 0.00 WT1 H ATOM 7690 OH2 TIP3 1602 -3.989 2.972 -0.895 1.00 0.00 WT1 O ATOM 7691 H1 TIP3 1602 -7.803 21.690 6.759 1.00 0.00 WT1 H ATOM 7692 H2 TIP3 1602 -17.957 10.893 -12.676 1.00 0.00 WT1 H ATOM 7693 OH2 TIP3 1603 -1.844 1.692 -0.525 1.00 0.00 WT1 O ATOM 7694 H1 TIP3 1603 0.213 5.920 1.863 1.00 0.00 WT1 H ATOM 7695 H2 TIP3 1603 -27.174 5.646 10.723 1.00 0.00 WT1 H ATOM 7696 OH2 TIP3 1604 0.855 2.893 3.342 1.00 0.00 WT1 O ATOM 7697 H1 TIP3 1604 0.438 6.401 -0.801 1.00 0.00 WT1 H ATOM 7698 H2 TIP3 1604 0.440 11.137 -8.667 1.00 0.00 WT1 H ATOM 7699 OH2 TIP3 1605 2.751 0.919 0.849 1.00 0.00 WT1 O ATOM 7700 H1 TIP3 1605 10.969 16.615 18.622 1.00 0.00 WT1 H ATOM 7701 H2 TIP3 1605 -1.508 -16.661 -7.387 1.00 0.00 WT1 H ATOM 7702 OH2 TIP3 1606 -0.954 0.482 0.988 1.00 0.00 WT1 O ATOM 7703 H1 TIP3 1606 -10.409 3.060 15.200 1.00 0.00 WT1 H ATOM 7704 H2 TIP3 1606 -8.514 -0.886 7.667 1.00 0.00 WT1 H ATOM 7705 OH2 TIP3 1607 -0.643 -3.005 -4.298 1.00 0.00 WT1 O ATOM 7706 H1 TIP3 1607 -2.212 -13.709 10.273 1.00 0.00 WT1 H ATOM 7707 H2 TIP3 1607 -0.149 4.979 -35.543 1.00 0.00 WT1 H ATOM 7708 OH2 TIP3 1608 0.635 -6.858 -2.850 1.00 0.00 WT1 O ATOM 7709 H1 TIP3 1608 -3.285 -6.985 2.655 1.00 0.00 WT1 H ATOM 7710 H2 TIP3 1608 3.776 -2.009 -7.842 1.00 0.00 WT1 H ATOM 7711 OH2 TIP3 1609 -3.054 -1.357 -11.454 1.00 0.00 WT1 O ATOM 7712 H1 TIP3 1609 -3.720 0.850 -7.974 1.00 0.00 WT1 H ATOM 7713 H2 TIP3 1609 -9.518 29.027 10.305 1.00 0.00 WT1 H ATOM 7714 OH2 TIP3 1611 2.855 3.452 -0.831 1.00 0.00 WT1 O ATOM 7715 H1 TIP3 1611 -5.508 24.656 20.532 1.00 0.00 WT1 H ATOM 7716 H2 TIP3 1611 24.028 -2.963 4.553 1.00 0.00 WT1 H ATOM 7717 OH2 TIP3 1612 -5.130 -3.203 -9.788 1.00 0.00 WT1 O ATOM 7718 H1 TIP3 1612 4.201 -17.819 -3.512 1.00 0.00 WT1 H ATOM 7719 H2 TIP3 1612 0.951 -13.353 -6.549 1.00 0.00 WT1 H ATOM 7720 OH2 TIP3 1613 -1.730 -5.724 -1.753 1.00 0.00 WT1 O ATOM 7721 H1 TIP3 1613 -12.240 -18.824 -13.734 1.00 0.00 WT1 H ATOM 7722 H2 TIP3 1613 -17.017 -14.720 -2.650 1.00 0.00 WT1 H ATOM 7723 OH2 TIP3 1614 3.235 -1.228 2.481 1.00 0.00 WT1 O ATOM 7724 H1 TIP3 1614 0.930 3.321 22.595 1.00 0.00 WT1 H ATOM 7725 H2 TIP3 1614 -2.480 -7.676 29.069 1.00 0.00 WT1 H ATOM 7726 OH2 TIP3 1615 1.036 0.908 -3.720 1.00 0.00 WT1 O ATOM 7727 H1 TIP3 1615 -3.936 -14.221 -5.931 1.00 0.00 WT1 H ATOM 7728 H2 TIP3 1615 5.626 -2.210 -8.307 1.00 0.00 WT1 H ATOM 7729 OH2 TIP3 1616 -0.652 -1.075 -2.009 1.00 0.00 WT1 O ATOM 7730 H1 TIP3 1616 16.972 -0.415 9.731 1.00 0.00 WT1 H ATOM 7731 H2 TIP3 1616 9.451 4.951 14.320 1.00 0.00 WT1 H ATOM 7732 OH2 TIP3 1617 2.608 3.785 2.148 1.00 0.00 WT1 O ATOM 7733 H1 TIP3 1617 2.205 24.999 -21.025 1.00 0.00 WT1 H ATOM 7734 H2 TIP3 1617 -28.516 -11.281 8.736 1.00 0.00 WT1 H ATOM 7735 OH2 TIP3 1618 -2.735 1.053 -2.352 1.00 0.00 WT1 O ATOM 7736 H1 TIP3 1618 -3.352 3.954 7.419 1.00 0.00 WT1 H ATOM 7737 H2 TIP3 1618 -13.161 1.267 -6.773 1.00 0.00 WT1 H ATOM 7738 OH2 TIP3 1619 0.672 1.275 2.241 1.00 0.00 WT1 O ATOM 7739 H1 TIP3 1619 -16.292 5.089 41.191 1.00 0.00 WT1 H ATOM 7740 H2 TIP3 1619 -1.899 25.913 -6.370 1.00 0.00 WT1 H ATOM 7741 OH2 TIP3 1620 0.046 4.957 -3.878 1.00 0.00 WT1 O ATOM 7742 H1 TIP3 1620 2.691 28.732 2.813 1.00 0.00 WT1 H ATOM 7743 H2 TIP3 1620 -19.307 3.326 -12.964 1.00 0.00 WT1 H ATOM 7744 OH2 TIP3 1621 0.528 0.847 8.059 1.00 0.00 WT1 O ATOM 7745 H1 TIP3 1621 4.217 5.106 7.402 1.00 0.00 WT1 H ATOM 7746 H2 TIP3 1621 -2.664 -5.231 12.959 1.00 0.00 WT1 H ATOM 7747 OH2 TIP3 1622 0.851 5.338 0.288 1.00 0.00 WT1 O ATOM 7748 H1 TIP3 1622 -1.545 3.764 -0.554 1.00 0.00 WT1 H ATOM 7749 H2 TIP3 1622 -9.648 -0.279 -3.354 1.00 0.00 WT1 H ATOM 7750 OH2 TIP3 1623 -1.310 0.658 -1.491 1.00 0.00 WT1 O ATOM 7751 H1 TIP3 1623 -29.913 2.463 7.704 1.00 0.00 WT1 H ATOM 7752 H2 TIP3 1623 0.036 0.478 -6.505 1.00 0.00 WT1 H ATOM 7753 OH2 TIP3 1624 -1.912 -5.896 3.734 1.00 0.00 WT1 O ATOM 7754 H1 TIP3 1624 6.654 -7.199 -4.414 1.00 0.00 WT1 H ATOM 7755 H2 TIP3 1624 -2.745 -2.231 1.286 1.00 0.00 WT1 H ATOM 7756 OH2 TIP3 1625 -2.690 1.057 -1.060 1.00 0.00 WT1 O ATOM 7757 H1 TIP3 1625 7.356 -5.586 0.282 1.00 0.00 WT1 H ATOM 7758 H2 TIP3 1625 -12.990 8.072 -6.556 1.00 0.00 WT1 H ATOM 7759 OH2 TIP3 1626 0.568 -9.992 -3.592 1.00 0.00 WT1 O ATOM 7760 H1 TIP3 1626 8.505 -13.605 -7.737 1.00 0.00 WT1 H ATOM 7761 H2 TIP3 1626 1.400 1.028 -0.797 1.00 0.00 WT1 H ATOM 7762 OH2 TIP3 1627 -4.059 7.484 -2.818 1.00 0.00 WT1 O ATOM 7763 H1 TIP3 1627 1.749 13.868 6.755 1.00 0.00 WT1 H ATOM 7764 H2 TIP3 1627 -0.993 15.673 5.897 1.00 0.00 WT1 H ATOM 7765 OH2 TIP3 1628 4.591 -7.634 0.445 1.00 0.00 WT1 O ATOM 7766 H1 TIP3 1628 -0.689 -4.140 6.524 1.00 0.00 WT1 H ATOM 7767 H2 TIP3 1628 15.820 6.863 11.820 1.00 0.00 WT1 H ATOM 7768 OH2 TIP3 1629 4.288 3.228 5.329 1.00 0.00 WT1 O ATOM 7769 H1 TIP3 1629 15.501 18.175 8.481 1.00 0.00 WT1 H ATOM 7770 H2 TIP3 1629 -13.507 8.851 5.251 1.00 0.00 WT1 H ATOM 7771 OH2 TIP3 1630 -3.338 -3.125 0.213 1.00 0.00 WT1 O ATOM 7772 H1 TIP3 1630 0.004 -4.590 -13.186 1.00 0.00 WT1 H ATOM 7773 H2 TIP3 1630 6.740 -2.310 0.777 1.00 0.00 WT1 H ATOM 7774 OH2 TIP3 1632 -2.981 -4.152 0.771 1.00 0.00 WT1 O ATOM 7775 H1 TIP3 1632 8.916 26.778 23.813 1.00 0.00 WT1 H ATOM 7776 H2 TIP3 1632 -28.366 -8.294 -5.265 1.00 0.00 WT1 H ATOM 7777 OH2 TIP3 1633 -3.630 -3.440 0.694 1.00 0.00 WT1 O ATOM 7778 H1 TIP3 1633 -1.776 -7.541 -3.732 1.00 0.00 WT1 H ATOM 7779 H2 TIP3 1633 -12.693 -1.587 12.698 1.00 0.00 WT1 H ATOM 7780 OH2 TIP3 1634 -2.698 4.112 -1.288 1.00 0.00 WT1 O ATOM 7781 H1 TIP3 1634 7.491 1.342 11.020 1.00 0.00 WT1 H ATOM 7782 H2 TIP3 1634 14.311 0.016 21.069 1.00 0.00 WT1 H ATOM 7783 OH2 TIP3 1635 -3.459 3.857 -1.845 1.00 0.00 WT1 O ATOM 7784 H1 TIP3 1635 -4.283 4.286 0.110 1.00 0.00 WT1 H ATOM 7785 H2 TIP3 1635 7.482 -6.850 -9.491 1.00 0.00 WT1 H ATOM 7786 OH2 TIP3 1636 3.076 -2.185 1.706 1.00 0.00 WT1 O ATOM 7787 H1 TIP3 1636 -5.382 -1.397 13.247 1.00 0.00 WT1 H ATOM 7788 H2 TIP3 1636 8.695 13.249 -5.428 1.00 0.00 WT1 H ATOM 7789 OH2 TIP3 1637 -1.795 1.882 -0.178 1.00 0.00 WT1 O ATOM 7790 H1 TIP3 1637 26.497 4.711 10.670 1.00 0.00 WT1 H ATOM 7791 H2 TIP3 1637 -19.531 -9.135 6.419 1.00 0.00 WT1 H ATOM 7792 OH2 TIP3 1638 2.040 2.518 0.177 1.00 0.00 WT1 O ATOM 7793 H1 TIP3 1638 3.901 1.450 -1.682 1.00 0.00 WT1 H ATOM 7794 H2 TIP3 1638 16.751 -18.191 23.679 1.00 0.00 WT1 H ATOM 7795 OH2 TIP3 1639 -1.786 -0.525 -5.088 1.00 0.00 WT1 O ATOM 7796 H1 TIP3 1639 -4.354 13.967 -11.814 1.00 0.00 WT1 H ATOM 7797 H2 TIP3 1639 10.492 -6.043 -8.315 1.00 0.00 WT1 H ATOM 7798 OH2 TIP3 1640 5.021 0.662 6.766 1.00 0.00 WT1 O ATOM 7799 H1 TIP3 1640 2.965 14.695 1.970 1.00 0.00 WT1 H ATOM 7800 H2 TIP3 1640 -10.103 3.171 5.044 1.00 0.00 WT1 H ATOM 7801 OH2 TIP3 1641 4.045 5.274 -6.662 1.00 0.00 WT1 O ATOM 7802 H1 TIP3 1641 0.137 -8.449 4.367 1.00 0.00 WT1 H ATOM 7803 H2 TIP3 1641 28.542 -17.417 15.725 1.00 0.00 WT1 H ATOM 7804 OH2 TIP3 1642 7.413 2.262 4.308 1.00 0.00 WT1 O ATOM 7805 H1 TIP3 1642 6.257 2.158 6.368 1.00 0.00 WT1 H ATOM 7806 H2 TIP3 1642 6.719 0.114 13.549 1.00 0.00 WT1 H ATOM 7807 OH2 TIP3 1643 1.616 -5.272 1.300 1.00 0.00 WT1 O ATOM 7808 H1 TIP3 1643 2.779 -7.156 2.413 1.00 0.00 WT1 H ATOM 7809 H2 TIP3 1643 10.023 3.742 5.648 1.00 0.00 WT1 H ATOM 7810 OH2 TIP3 1645 -8.376 -6.934 1.105 1.00 0.00 WT1 O ATOM 7811 H1 TIP3 1645 -13.207 -4.304 5.224 1.00 0.00 WT1 H ATOM 7812 H2 TIP3 1645 -20.709 0.402 2.907 1.00 0.00 WT1 H ATOM 7813 OH2 TIP3 1646 1.666 -6.213 4.492 1.00 0.00 WT1 O ATOM 7814 H1 TIP3 1646 -6.142 -6.296 11.281 1.00 0.00 WT1 H ATOM 7815 H2 TIP3 1646 5.542 4.435 -9.718 1.00 0.00 WT1 H ATOM 7816 OH2 TIP3 1647 -1.799 3.156 0.693 1.00 0.00 WT1 O ATOM 7817 H1 TIP3 1647 -7.884 6.642 -0.623 1.00 0.00 WT1 H ATOM 7818 H2 TIP3 1647 -15.006 -1.716 5.310 1.00 0.00 WT1 H ATOM 7819 OH2 TIP3 1648 -2.474 -0.872 0.725 1.00 0.00 WT1 O ATOM 7820 H1 TIP3 1648 -0.376 -13.801 -7.064 1.00 0.00 WT1 H ATOM 7821 H2 TIP3 1648 3.853 8.269 -9.384 1.00 0.00 WT1 H ATOM 7822 OH2 TIP3 1649 -1.005 1.547 -0.284 1.00 0.00 WT1 O ATOM 7823 H1 TIP3 1649 -10.305 -7.026 -15.691 1.00 0.00 WT1 H ATOM 7824 H2 TIP3 1649 -14.730 0.138 15.900 1.00 0.00 WT1 H ATOM 7825 OH2 TIP3 1651 -1.960 0.001 1.144 1.00 0.00 WT1 O ATOM 7826 H1 TIP3 1651 4.589 -7.495 2.354 1.00 0.00 WT1 H ATOM 7827 H2 TIP3 1651 13.723 -13.322 9.761 1.00 0.00 WT1 H ATOM 7828 OH2 TIP3 1652 1.917 4.244 -0.843 1.00 0.00 WT1 O ATOM 7829 H1 TIP3 1652 10.922 -17.016 -16.345 1.00 0.00 WT1 H ATOM 7830 H2 TIP3 1652 -0.718 17.740 4.384 1.00 0.00 WT1 H ATOM 7831 OH2 TIP3 1653 -5.309 -8.977 -4.783 1.00 0.00 WT1 O ATOM 7832 H1 TIP3 1653 -28.313 -9.909 1.703 1.00 0.00 WT1 H ATOM 7833 H2 TIP3 1653 -1.696 -13.481 -4.892 1.00 0.00 WT1 H ATOM 7834 OH2 TIP3 1655 2.639 -1.520 -2.294 1.00 0.00 WT1 O ATOM 7835 H1 TIP3 1655 13.182 -10.401 -1.699 1.00 0.00 WT1 H ATOM 7836 H2 TIP3 1655 -9.321 6.123 -14.924 1.00 0.00 WT1 H ATOM 7837 OH2 TIP3 1656 -0.610 -1.471 -5.110 1.00 0.00 WT1 O ATOM 7838 H1 TIP3 1656 -5.557 20.328 -2.094 1.00 0.00 WT1 H ATOM 7839 H2 TIP3 1656 -11.779 2.675 2.232 1.00 0.00 WT1 H ATOM 7840 OH2 TIP3 1657 -3.842 3.484 -3.816 1.00 0.00 WT1 O ATOM 7841 H1 TIP3 1657 -2.214 18.651 16.884 1.00 0.00 WT1 H ATOM 7842 H2 TIP3 1657 2.016 -7.974 6.270 1.00 0.00 WT1 H ATOM 7843 OH2 TIP3 1658 -0.249 -2.247 4.204 1.00 0.00 WT1 O ATOM 7844 H1 TIP3 1658 16.714 -7.730 -13.875 1.00 0.00 WT1 H ATOM 7845 H2 TIP3 1658 -25.394 -19.785 -1.343 1.00 0.00 WT1 H ATOM 7846 OH2 TIP3 1659 -4.201 0.807 8.315 1.00 0.00 WT1 O ATOM 7847 H1 TIP3 1659 5.898 15.323 5.830 1.00 0.00 WT1 H ATOM 7848 H2 TIP3 1659 13.994 -12.366 1.105 1.00 0.00 WT1 H ATOM 7849 OH2 TIP3 1660 -2.220 4.377 -2.670 1.00 0.00 WT1 O ATOM 7850 H1 TIP3 1660 -0.070 -13.345 7.064 1.00 0.00 WT1 H ATOM 7851 H2 TIP3 1660 -6.213 1.866 -13.456 1.00 0.00 WT1 H ATOM 7852 OH2 TIP3 1661 -7.080 0.065 -5.880 1.00 0.00 WT1 O ATOM 7853 H1 TIP3 1661 -4.433 7.687 -29.332 1.00 0.00 WT1 H ATOM 7854 H2 TIP3 1661 20.705 -19.193 1.145 1.00 0.00 WT1 H ATOM 7855 OH2 TIP3 1663 -1.508 -3.753 -0.788 1.00 0.00 WT1 O ATOM 7856 H1 TIP3 1663 -16.565 1.113 -17.198 1.00 0.00 WT1 H ATOM 7857 H2 TIP3 1663 20.523 -20.107 -10.812 1.00 0.00 WT1 H ATOM 7858 OH2 TIP3 1664 -3.005 7.998 -3.413 1.00 0.00 WT1 O ATOM 7859 H1 TIP3 1664 0.348 -7.544 -7.420 1.00 0.00 WT1 H ATOM 7860 H2 TIP3 1664 -14.594 2.941 -5.348 1.00 0.00 WT1 H ATOM 7861 OH2 TIP3 1665 -0.166 4.238 -2.463 1.00 0.00 WT1 O ATOM 7862 H1 TIP3 1665 10.379 -8.422 38.393 1.00 0.00 WT1 H ATOM 7863 H2 TIP3 1665 -4.586 11.202 -16.153 1.00 0.00 WT1 H ATOM 7864 OH2 TIP3 1666 2.058 -3.027 -2.837 1.00 0.00 WT1 O ATOM 7865 H1 TIP3 1666 -2.583 26.327 15.335 1.00 0.00 WT1 H ATOM 7866 H2 TIP3 1666 -4.336 -3.025 1.466 1.00 0.00 WT1 H ATOM 7867 OH2 TIP3 1667 -3.871 6.185 4.312 1.00 0.00 WT1 O ATOM 7868 H1 TIP3 1667 6.259 -2.955 5.376 1.00 0.00 WT1 H ATOM 7869 H2 TIP3 1667 -12.995 -1.352 1.059 1.00 0.00 WT1 H ATOM 7870 OH2 TIP3 1668 8.460 0.227 -5.545 1.00 0.00 WT1 O ATOM 7871 H1 TIP3 1668 3.333 6.478 -29.486 1.00 0.00 WT1 H ATOM 7872 H2 TIP3 1668 7.093 -11.414 11.157 1.00 0.00 WT1 H ATOM 7873 OH2 TIP3 1669 5.048 -2.747 3.839 1.00 0.00 WT1 O ATOM 7874 H1 TIP3 1669 7.251 6.556 1.938 1.00 0.00 WT1 H ATOM 7875 H2 TIP3 1669 -4.631 -2.373 3.530 1.00 0.00 WT1 H ATOM 7876 OH2 TIP3 1670 -0.760 -0.788 1.279 1.00 0.00 WT1 O ATOM 7877 H1 TIP3 1670 -0.137 3.219 -1.321 1.00 0.00 WT1 H ATOM 7878 H2 TIP3 1670 -7.210 1.114 5.586 1.00 0.00 WT1 H ATOM 7879 OH2 TIP3 1671 4.756 -2.927 0.504 1.00 0.00 WT1 O ATOM 7880 H1 TIP3 1671 -1.608 1.470 -3.038 1.00 0.00 WT1 H ATOM 7881 H2 TIP3 1671 3.727 -15.036 9.901 1.00 0.00 WT1 H ATOM 7882 OH2 TIP3 1672 5.339 -4.278 -2.827 1.00 0.00 WT1 O ATOM 7883 H1 TIP3 1672 14.863 -11.986 -4.920 1.00 0.00 WT1 H ATOM 7884 H2 TIP3 1672 19.269 5.092 -0.955 1.00 0.00 WT1 H ATOM 7885 OH2 TIP3 1673 1.172 1.787 3.849 1.00 0.00 WT1 O ATOM 7886 H1 TIP3 1673 2.020 0.642 2.513 1.00 0.00 WT1 H ATOM 7887 H2 TIP3 1673 -13.107 -23.307 -12.449 1.00 0.00 WT1 H ATOM 7888 OH2 TIP3 1675 5.805 -0.618 0.988 1.00 0.00 WT1 O ATOM 7889 H1 TIP3 1675 -6.771 1.888 -4.943 1.00 0.00 WT1 H ATOM 7890 H2 TIP3 1675 -0.098 -10.695 11.179 1.00 0.00 WT1 H ATOM 7891 OH2 TIP3 1676 5.718 4.080 -0.437 1.00 0.00 WT1 O ATOM 7892 H1 TIP3 1676 11.458 -10.568 -4.032 1.00 0.00 WT1 H ATOM 7893 H2 TIP3 1676 0.226 7.577 -0.638 1.00 0.00 WT1 H ATOM 7894 OH2 TIP3 1677 0.588 -1.285 1.302 1.00 0.00 WT1 O ATOM 7895 H1 TIP3 1677 5.451 10.231 -27.995 1.00 0.00 WT1 H ATOM 7896 H2 TIP3 1677 15.725 2.264 -4.863 1.00 0.00 WT1 H ATOM 7897 OH2 TIP3 1678 -2.091 -3.811 1.810 1.00 0.00 WT1 O ATOM 7898 H1 TIP3 1678 -0.559 10.509 -1.849 1.00 0.00 WT1 H ATOM 7899 H2 TIP3 1678 -1.181 10.526 -1.915 1.00 0.00 WT1 H ATOM 7900 OH2 TIP3 1679 4.263 -2.346 -3.202 1.00 0.00 WT1 O ATOM 7901 H1 TIP3 1679 6.559 0.636 6.311 1.00 0.00 WT1 H ATOM 7902 H2 TIP3 1679 12.254 0.726 -12.480 1.00 0.00 WT1 H ATOM 7903 OH2 TIP3 1680 -7.973 1.045 -3.362 1.00 0.00 WT1 O ATOM 7904 H1 TIP3 1680 12.575 -5.178 1.547 1.00 0.00 WT1 H ATOM 7905 H2 TIP3 1680 -1.918 -1.108 -2.864 1.00 0.00 WT1 H ATOM 7906 OH2 TIP3 1681 -3.217 -3.248 -2.920 1.00 0.00 WT1 O ATOM 7907 H1 TIP3 1681 3.109 8.027 -15.642 1.00 0.00 WT1 H ATOM 7908 H2 TIP3 1681 -2.015 8.992 7.437 1.00 0.00 WT1 H ATOM 7909 OH2 TIP3 1682 0.494 -1.517 -4.615 1.00 0.00 WT1 O ATOM 7910 H1 TIP3 1682 -13.326 -2.321 -28.250 1.00 0.00 WT1 H ATOM 7911 H2 TIP3 1682 -15.657 -22.090 2.967 1.00 0.00 WT1 H ATOM 7912 OH2 TIP3 1683 1.821 2.457 6.548 1.00 0.00 WT1 O ATOM 7913 H1 TIP3 1683 -19.369 -0.728 18.477 1.00 0.00 WT1 H ATOM 7914 H2 TIP3 1683 21.168 -2.436 34.406 1.00 0.00 WT1 H ATOM 7915 OH2 TIP3 1684 -6.168 -0.945 4.196 1.00 0.00 WT1 O ATOM 7916 H1 TIP3 1684 -12.112 -2.160 -5.274 1.00 0.00 WT1 H ATOM 7917 H2 TIP3 1684 11.717 -17.808 6.452 1.00 0.00 WT1 H ATOM 7918 OH2 TIP3 1685 -2.077 4.486 3.797 1.00 0.00 WT1 O ATOM 7919 H1 TIP3 1685 -12.146 -11.769 -18.592 1.00 0.00 WT1 H ATOM 7920 H2 TIP3 1685 19.150 13.706 -8.841 1.00 0.00 WT1 H ATOM 7921 OH2 TIP3 1686 -3.539 3.424 -0.577 1.00 0.00 WT1 O ATOM 7922 H1 TIP3 1686 7.721 11.185 4.228 1.00 0.00 WT1 H ATOM 7923 H2 TIP3 1686 -2.762 -10.759 -9.417 1.00 0.00 WT1 H ATOM 7924 OH2 TIP3 1687 3.984 9.263 1.970 1.00 0.00 WT1 O ATOM 7925 H1 TIP3 1687 4.170 9.444 10.720 1.00 0.00 WT1 H ATOM 7926 H2 TIP3 1687 4.951 -7.814 -8.102 1.00 0.00 WT1 H ATOM 7927 OH2 TIP3 1688 0.686 0.745 1.618 1.00 0.00 WT1 O ATOM 7928 H1 TIP3 1688 2.219 -3.542 0.433 1.00 0.00 WT1 H ATOM 7929 H2 TIP3 1688 -0.962 12.240 8.431 1.00 0.00 WT1 H ATOM 7930 OH2 TIP3 1689 -2.557 2.207 -6.476 1.00 0.00 WT1 O ATOM 7931 H1 TIP3 1689 1.534 -0.234 -4.684 1.00 0.00 WT1 H ATOM 7932 H2 TIP3 1689 -13.248 4.150 -12.912 1.00 0.00 WT1 H ATOM 7933 OH2 TIP3 1690 7.905 -6.163 4.921 1.00 0.00 WT1 O ATOM 7934 H1 TIP3 1690 7.568 -0.462 3.600 1.00 0.00 WT1 H ATOM 7935 H2 TIP3 1690 3.602 -14.773 17.538 1.00 0.00 WT1 H ATOM 7936 OH2 TIP3 1691 4.126 1.675 1.579 1.00 0.00 WT1 O ATOM 7937 H1 TIP3 1691 12.679 3.682 -1.118 1.00 0.00 WT1 H ATOM 7938 H2 TIP3 1691 -14.370 -26.266 11.242 1.00 0.00 WT1 H ATOM 7939 OH2 TIP3 1692 -1.447 -0.841 1.387 1.00 0.00 WT1 O ATOM 7940 H1 TIP3 1692 4.694 3.697 -5.526 1.00 0.00 WT1 H ATOM 7941 H2 TIP3 1692 -6.868 -1.629 7.102 1.00 0.00 WT1 H ATOM 7942 OH2 TIP3 1693 -1.367 3.478 3.771 1.00 0.00 WT1 O ATOM 7943 H1 TIP3 1693 27.072 -21.898 -0.640 1.00 0.00 WT1 H ATOM 7944 H2 TIP3 1693 4.387 -12.823 9.705 1.00 0.00 WT1 H ATOM 7945 OH2 TIP3 1694 1.028 0.878 -5.832 1.00 0.00 WT1 O ATOM 7946 H1 TIP3 1694 -1.882 9.421 -10.704 1.00 0.00 WT1 H ATOM 7947 H2 TIP3 1694 9.634 10.390 -0.962 1.00 0.00 WT1 H ATOM 7948 OH2 TIP3 1696 -8.038 -5.987 -2.241 1.00 0.00 WT1 O ATOM 7949 H1 TIP3 1696 -5.840 -25.620 15.726 1.00 0.00 WT1 H ATOM 7950 H2 TIP3 1696 26.666 7.845 11.846 1.00 0.00 WT1 H ATOM 7951 OH2 TIP3 1697 -3.678 -0.285 -0.258 1.00 0.00 WT1 O ATOM 7952 H1 TIP3 1697 -0.820 8.315 -4.888 1.00 0.00 WT1 H ATOM 7953 H2 TIP3 1697 0.898 -9.058 -5.811 1.00 0.00 WT1 H ATOM 7954 OH2 TIP3 1698 -1.894 5.015 0.377 1.00 0.00 WT1 O ATOM 7955 H1 TIP3 1698 -5.764 -5.962 -8.594 1.00 0.00 WT1 H ATOM 7956 H2 TIP3 1698 -33.746 -5.615 17.551 1.00 0.00 WT1 H ATOM 7957 OH2 TIP3 1700 4.082 -10.243 4.275 1.00 0.00 WT1 O ATOM 7958 H1 TIP3 1700 -5.198 -9.514 3.375 1.00 0.00 WT1 H ATOM 7959 H2 TIP3 1700 3.186 -8.227 -4.201 1.00 0.00 WT1 H ATOM 7960 OH2 TIP3 1701 -0.998 -8.620 -5.300 1.00 0.00 WT1 O ATOM 7961 H1 TIP3 1701 -15.119 -14.999 31.580 1.00 0.00 WT1 H ATOM 7962 H2 TIP3 1701 -2.403 -16.420 -7.231 1.00 0.00 WT1 H ATOM 7963 OH2 TIP3 1702 -4.245 3.636 2.542 1.00 0.00 WT1 O ATOM 7964 H1 TIP3 1702 -7.723 7.245 8.486 1.00 0.00 WT1 H ATOM 7965 H2 TIP3 1702 -0.346 4.217 -2.312 1.00 0.00 WT1 H ATOM 7966 OH2 TIP3 1703 -5.571 -4.331 -1.052 1.00 0.00 WT1 O ATOM 7967 H1 TIP3 1703 18.333 -17.170 -5.280 1.00 0.00 WT1 H ATOM 7968 H2 TIP3 1703 -4.859 -4.848 -0.765 1.00 0.00 WT1 H ATOM 7969 OH2 TIP3 1704 -2.654 2.986 -1.500 1.00 0.00 WT1 O ATOM 7970 H1 TIP3 1704 12.637 25.933 5.555 1.00 0.00 WT1 H ATOM 7971 H2 TIP3 1704 -6.542 0.978 -7.257 1.00 0.00 WT1 H ATOM 7972 OH2 TIP3 1706 -4.286 7.688 -4.363 1.00 0.00 WT1 O ATOM 7973 H1 TIP3 1706 -8.994 -4.526 -1.845 1.00 0.00 WT1 H ATOM 7974 H2 TIP3 1706 -26.931 1.181 2.102 1.00 0.00 WT1 H ATOM 7975 OH2 TIP3 1707 0.565 5.622 -5.078 1.00 0.00 WT1 O ATOM 7976 H1 TIP3 1707 1.510 5.775 -5.152 1.00 0.00 WT1 H ATOM 7977 H2 TIP3 1707 1.384 5.488 -3.789 1.00 0.00 WT1 H ATOM 7978 OH2 TIP3 1708 -0.047 -5.007 1.623 1.00 0.00 WT1 O ATOM 7979 H1 TIP3 1708 -8.755 -5.387 -12.181 1.00 0.00 WT1 H ATOM 7980 H2 TIP3 1708 -0.149 3.313 -5.900 1.00 0.00 WT1 H ATOM 7981 OH2 TIP3 1710 -0.769 -4.533 1.109 1.00 0.00 WT1 O ATOM 7982 H1 TIP3 1710 -6.249 7.249 5.618 1.00 0.00 WT1 H ATOM 7983 H2 TIP3 1710 7.481 -9.052 1.513 1.00 0.00 WT1 H ATOM 7984 OH2 TIP3 1711 0.642 -3.839 3.996 1.00 0.00 WT1 O ATOM 7985 H1 TIP3 1711 11.963 -1.920 4.917 1.00 0.00 WT1 H ATOM 7986 H2 TIP3 1711 -1.924 -11.849 -4.284 1.00 0.00 WT1 H ATOM 7987 OH2 TIP3 1713 -3.511 4.508 -1.967 1.00 0.00 WT1 O ATOM 7988 H1 TIP3 1713 23.733 -9.148 0.398 1.00 0.00 WT1 H ATOM 7989 H2 TIP3 1713 -9.370 -8.242 -9.730 1.00 0.00 WT1 H ATOM 7990 OH2 TIP3 1714 -2.642 -8.759 -3.722 1.00 0.00 WT1 O ATOM 7991 H1 TIP3 1714 4.414 -19.783 1.950 1.00 0.00 WT1 H ATOM 7992 H2 TIP3 1714 1.944 -8.412 -17.607 1.00 0.00 WT1 H ATOM 7993 OH2 TIP3 1715 -1.039 3.354 -2.755 1.00 0.00 WT1 O ATOM 7994 H1 TIP3 1715 4.496 -13.263 4.778 1.00 0.00 WT1 H ATOM 7995 H2 TIP3 1715 -16.618 17.023 -1.741 1.00 0.00 WT1 H ATOM 7996 OH2 TIP3 1716 -2.045 2.293 1.061 1.00 0.00 WT1 O ATOM 7997 H1 TIP3 1716 -33.786 0.672 16.796 1.00 0.00 WT1 H ATOM 7998 H2 TIP3 1716 15.734 -30.944 -0.445 1.00 0.00 WT1 H ATOM 7999 OH2 TIP3 1717 -2.267 -5.289 3.337 1.00 0.00 WT1 O ATOM 8000 H1 TIP3 1717 1.138 13.732 -16.255 1.00 0.00 WT1 H ATOM 8001 H2 TIP3 1717 4.049 -5.206 -19.247 1.00 0.00 WT1 H ATOM 8002 OH2 TIP3 1718 2.105 -1.980 6.114 1.00 0.00 WT1 O ATOM 8003 H1 TIP3 1718 11.390 9.518 -7.329 1.00 0.00 WT1 H ATOM 8004 H2 TIP3 1718 -6.247 11.015 3.645 1.00 0.00 WT1 H ATOM 8005 OH2 TIP3 1719 6.983 2.411 -3.994 1.00 0.00 WT1 O ATOM 8006 H1 TIP3 1719 -6.379 2.290 -22.403 1.00 0.00 WT1 H ATOM 8007 H2 TIP3 1719 4.107 -14.742 1.594 1.00 0.00 WT1 H ATOM 8008 OH2 TIP3 1720 5.688 -2.271 -6.061 1.00 0.00 WT1 O ATOM 8009 H1 TIP3 1720 0.283 2.857 -13.924 1.00 0.00 WT1 H ATOM 8010 H2 TIP3 1720 -11.019 28.435 14.132 1.00 0.00 WT1 H ATOM 8011 OH2 TIP3 1721 4.060 1.643 3.218 1.00 0.00 WT1 O ATOM 8012 H1 TIP3 1721 2.224 -11.828 -5.096 1.00 0.00 WT1 H ATOM 8013 H2 TIP3 1721 7.297 12.659 -12.096 1.00 0.00 WT1 H ATOM 8014 OH2 TIP3 1722 -0.264 -3.732 -3.198 1.00 0.00 WT1 O ATOM 8015 H1 TIP3 1722 -18.330 -25.872 -13.286 1.00 0.00 WT1 H ATOM 8016 H2 TIP3 1722 -17.185 -6.549 5.846 1.00 0.00 WT1 H ATOM 8017 OH2 TIP3 1723 2.310 -1.326 3.570 1.00 0.00 WT1 O ATOM 8018 H1 TIP3 1723 17.514 3.576 -5.156 1.00 0.00 WT1 H ATOM 8019 H2 TIP3 1723 0.617 -13.700 13.317 1.00 0.00 WT1 H ATOM 8020 OH2 TIP3 1724 -3.354 -0.664 11.991 1.00 0.00 WT1 O ATOM 8021 H1 TIP3 1724 27.903 -6.856 1.826 1.00 0.00 WT1 H ATOM 8022 H2 TIP3 1724 -4.225 0.612 19.772 1.00 0.00 WT1 H ATOM 8023 OH2 TIP3 1725 1.255 11.900 -4.508 1.00 0.00 WT1 O ATOM 8024 H1 TIP3 1725 12.360 1.278 -3.241 1.00 0.00 WT1 H ATOM 8025 H2 TIP3 1725 0.032 6.590 24.569 1.00 0.00 WT1 H ATOM 8026 OH2 TIP3 1726 7.518 6.000 -5.054 1.00 0.00 WT1 O ATOM 8027 H1 TIP3 1726 3.317 3.081 -3.211 1.00 0.00 WT1 H ATOM 8028 H2 TIP3 1726 6.144 4.892 -4.134 1.00 0.00 WT1 H ATOM 8029 OH2 TIP3 1727 -0.002 4.180 -5.350 1.00 0.00 WT1 O ATOM 8030 H1 TIP3 1727 0.948 -3.437 -1.151 1.00 0.00 WT1 H ATOM 8031 H2 TIP3 1727 -7.012 -6.346 -4.636 1.00 0.00 WT1 H ATOM 8032 OH2 TIP3 1728 0.211 -3.246 9.166 1.00 0.00 WT1 O ATOM 8033 H1 TIP3 1728 -11.409 -12.547 7.112 1.00 0.00 WT1 H ATOM 8034 H2 TIP3 1728 -2.614 11.041 1.182 1.00 0.00 WT1 H ATOM 8035 OH2 TIP3 1729 0.706 -0.202 -0.892 1.00 0.00 WT1 O ATOM 8036 H1 TIP3 1729 12.073 19.837 -3.496 1.00 0.00 WT1 H ATOM 8037 H2 TIP3 1729 13.871 17.758 5.988 1.00 0.00 WT1 H ATOM 8038 OH2 TIP3 1730 0.389 4.990 5.429 1.00 0.00 WT1 O ATOM 8039 H1 TIP3 1730 9.924 3.503 2.245 1.00 0.00 WT1 H ATOM 8040 H2 TIP3 1730 -5.809 -1.468 -0.795 1.00 0.00 WT1 H ATOM 8041 OH2 TIP3 1731 2.306 -2.662 -3.537 1.00 0.00 WT1 O ATOM 8042 H1 TIP3 1731 6.724 -3.504 11.647 1.00 0.00 WT1 H ATOM 8043 H2 TIP3 1731 -32.823 2.432 -12.023 1.00 0.00 WT1 H ATOM 8044 OH2 TIP3 1732 6.632 -0.454 6.334 1.00 0.00 WT1 O ATOM 8045 H1 TIP3 1732 10.437 -6.150 16.678 1.00 0.00 WT1 H ATOM 8046 H2 TIP3 1732 16.581 -22.786 33.058 1.00 0.00 WT1 H ATOM 8047 OH2 TIP3 1733 0.100 3.124 -3.082 1.00 0.00 WT1 O ATOM 8048 H1 TIP3 1733 -0.834 1.969 -9.687 1.00 0.00 WT1 H ATOM 8049 H2 TIP3 1733 4.314 2.983 -0.703 1.00 0.00 WT1 H ATOM 8050 OH2 TIP3 1734 -5.505 4.701 -1.907 1.00 0.00 WT1 O ATOM 8051 H1 TIP3 1734 4.816 -1.627 9.584 1.00 0.00 WT1 H ATOM 8052 H2 TIP3 1734 -19.941 18.002 -21.058 1.00 0.00 WT1 H ATOM 8053 OH2 TIP3 1735 0.886 -1.148 -5.029 1.00 0.00 WT1 O ATOM 8054 H1 TIP3 1735 -6.617 -4.573 -17.460 1.00 0.00 WT1 H ATOM 8055 H2 TIP3 1735 -5.306 2.212 -15.034 1.00 0.00 WT1 H ATOM 8056 OH2 TIP3 1736 5.975 -1.183 2.269 1.00 0.00 WT1 O ATOM 8057 H1 TIP3 1736 -14.187 -6.655 -3.482 1.00 0.00 WT1 H ATOM 8058 H2 TIP3 1736 8.913 6.162 24.249 1.00 0.00 WT1 H ATOM 8059 OH2 TIP3 1737 -1.026 -4.908 2.174 1.00 0.00 WT1 O ATOM 8060 H1 TIP3 1737 13.377 -9.593 -9.315 1.00 0.00 WT1 H ATOM 8061 H2 TIP3 1737 7.128 -23.415 23.163 1.00 0.00 WT1 H ATOM 8062 OH2 TIP3 1738 -4.358 -5.883 -4.418 1.00 0.00 WT1 O ATOM 8063 H1 TIP3 1738 -2.353 -5.280 -7.557 1.00 0.00 WT1 H ATOM 8064 H2 TIP3 1738 -2.442 9.507 -28.848 1.00 0.00 WT1 H ATOM 8065 OH2 TIP3 1739 -1.524 -0.868 3.487 1.00 0.00 WT1 O ATOM 8066 H1 TIP3 1739 -2.190 -17.729 -1.864 1.00 0.00 WT1 H ATOM 8067 H2 TIP3 1739 -6.932 14.774 -20.909 1.00 0.00 WT1 H ATOM 8068 OH2 TIP3 1741 -1.403 -1.405 -2.331 1.00 0.00 WT1 O ATOM 8069 H1 TIP3 1741 -7.936 7.584 -4.576 1.00 0.00 WT1 H ATOM 8070 H2 TIP3 1741 -4.880 -5.953 7.612 1.00 0.00 WT1 H ATOM 8071 OH2 TIP3 1742 -5.622 -1.157 -0.386 1.00 0.00 WT1 O ATOM 8072 H1 TIP3 1742 2.018 4.198 0.170 1.00 0.00 WT1 H ATOM 8073 H2 TIP3 1742 1.381 -3.499 -4.321 1.00 0.00 WT1 H ATOM 8074 OH2 TIP3 1743 5.531 -0.722 1.893 1.00 0.00 WT1 O ATOM 8075 H1 TIP3 1743 -12.133 3.669 2.129 1.00 0.00 WT1 H ATOM 8076 H2 TIP3 1743 1.812 23.687 33.100 1.00 0.00 WT1 H ATOM 8077 OH2 TIP3 1744 0.209 -4.266 0.941 1.00 0.00 WT1 O ATOM 8078 H1 TIP3 1744 0.043 -2.044 -12.123 1.00 0.00 WT1 H ATOM 8079 H2 TIP3 1744 3.203 -18.847 -0.915 1.00 0.00 WT1 H ATOM 8080 OH2 TIP3 1745 -3.349 -1.528 -0.219 1.00 0.00 WT1 O ATOM 8081 H1 TIP3 1745 -31.545 -5.373 -2.434 1.00 0.00 WT1 H ATOM 8082 H2 TIP3 1745 14.710 1.424 1.071 1.00 0.00 WT1 H ATOM 8083 OH2 TIP3 1746 -2.282 1.468 -5.986 1.00 0.00 WT1 O ATOM 8084 H1 TIP3 1746 2.339 -4.562 4.525 1.00 0.00 WT1 H ATOM 8085 H2 TIP3 1746 -3.525 -3.598 -8.209 1.00 0.00 WT1 H ATOM 8086 OH2 TIP3 1747 -0.752 -4.907 3.976 1.00 0.00 WT1 O ATOM 8087 H1 TIP3 1747 4.364 -23.633 -8.191 1.00 0.00 WT1 H ATOM 8088 H2 TIP3 1747 -4.542 11.862 13.778 1.00 0.00 WT1 H ATOM 8089 OH2 TIP3 1748 4.112 -2.332 3.275 1.00 0.00 WT1 O ATOM 8090 H1 TIP3 1748 17.040 -6.621 8.080 1.00 0.00 WT1 H ATOM 8091 H2 TIP3 1748 -5.735 1.710 10.103 1.00 0.00 WT1 H ATOM 8092 OH2 TIP3 1749 -4.076 7.246 -0.029 1.00 0.00 WT1 O ATOM 8093 H1 TIP3 1749 -13.972 1.574 3.228 1.00 0.00 WT1 H ATOM 8094 H2 TIP3 1749 7.474 0.509 2.642 1.00 0.00 WT1 H ATOM 8095 OH2 TIP3 1750 -1.654 -4.452 1.037 1.00 0.00 WT1 O ATOM 8096 H1 TIP3 1750 2.242 -13.269 7.366 1.00 0.00 WT1 H ATOM 8097 H2 TIP3 1750 -7.328 9.121 -5.861 1.00 0.00 WT1 H ATOM 8098 OH2 TIP3 1751 -2.505 1.882 -5.033 1.00 0.00 WT1 O ATOM 8099 H1 TIP3 1751 -21.051 -5.090 -9.222 1.00 0.00 WT1 H ATOM 8100 H2 TIP3 1751 -28.487 -11.346 -16.163 1.00 0.00 WT1 H ATOM 8101 OH2 TIP3 1752 6.148 1.700 -9.161 1.00 0.00 WT1 O ATOM 8102 H1 TIP3 1752 18.973 0.604 -12.905 1.00 0.00 WT1 H ATOM 8103 H2 TIP3 1752 12.212 0.617 -7.324 1.00 0.00 WT1 H ATOM 8104 OH2 TIP3 1753 2.506 -1.524 1.166 1.00 0.00 WT1 O ATOM 8105 H1 TIP3 1753 9.394 1.509 13.281 1.00 0.00 WT1 H ATOM 8106 H2 TIP3 1753 11.751 -7.027 -7.230 1.00 0.00 WT1 H ATOM 8107 OH2 TIP3 1754 2.978 0.075 1.875 1.00 0.00 WT1 O ATOM 8108 H1 TIP3 1754 8.999 -6.536 -3.563 1.00 0.00 WT1 H ATOM 8109 H2 TIP3 1754 4.483 -1.162 1.089 1.00 0.00 WT1 H ATOM 8110 OH2 TIP3 1755 -2.001 1.619 1.812 1.00 0.00 WT1 O ATOM 8111 H1 TIP3 1755 8.506 -28.884 11.500 1.00 0.00 WT1 H ATOM 8112 H2 TIP3 1755 -16.934 -0.988 -2.679 1.00 0.00 WT1 H ATOM 8113 OH2 TIP3 1756 3.243 7.656 1.746 1.00 0.00 WT1 O ATOM 8114 H1 TIP3 1756 14.687 15.983 28.251 1.00 0.00 WT1 H ATOM 8115 H2 TIP3 1756 -5.870 7.586 -11.945 1.00 0.00 WT1 H ATOM 8116 OH2 TIP3 1757 -1.417 -5.508 -1.260 1.00 0.00 WT1 O ATOM 8117 H1 TIP3 1757 -2.441 -16.447 -5.426 1.00 0.00 WT1 H ATOM 8118 H2 TIP3 1757 -15.893 -15.101 14.097 1.00 0.00 WT1 H ATOM 8119 OH2 TIP3 1758 1.263 -3.525 1.359 1.00 0.00 WT1 O ATOM 8120 H1 TIP3 1758 14.546 -9.354 12.372 1.00 0.00 WT1 H ATOM 8121 H2 TIP3 1758 -21.694 -13.225 7.701 1.00 0.00 WT1 H ATOM 8122 OH2 TIP3 1759 -6.772 -1.521 0.962 1.00 0.00 WT1 O ATOM 8123 H1 TIP3 1759 -16.023 -12.049 -5.049 1.00 0.00 WT1 H ATOM 8124 H2 TIP3 1759 17.398 9.157 9.803 1.00 0.00 WT1 H ATOM 8125 OH2 TIP3 1760 -0.171 -0.801 0.933 1.00 0.00 WT1 O ATOM 8126 H1 TIP3 1760 -4.087 2.688 7.337 1.00 0.00 WT1 H ATOM 8127 H2 TIP3 1760 -3.924 4.284 2.540 1.00 0.00 WT1 H ATOM 8128 OH2 TIP3 1761 -2.053 1.577 -8.764 1.00 0.00 WT1 O ATOM 8129 H1 TIP3 1761 0.839 -1.562 -4.885 1.00 0.00 WT1 H ATOM 8130 H2 TIP3 1761 9.525 -9.955 -3.125 1.00 0.00 WT1 H ATOM 8131 OH2 TIP3 1762 -6.639 -5.392 2.534 1.00 0.00 WT1 O ATOM 8132 H1 TIP3 1762 -10.078 3.979 1.628 1.00 0.00 WT1 H ATOM 8133 H2 TIP3 1762 -7.488 6.334 -1.405 1.00 0.00 WT1 H ATOM 8134 OH2 TIP3 1763 2.407 -3.299 -2.077 1.00 0.00 WT1 O ATOM 8135 H1 TIP3 1763 -10.303 7.886 -0.507 1.00 0.00 WT1 H ATOM 8136 H2 TIP3 1763 -14.487 -12.281 5.074 1.00 0.00 WT1 H ATOM 8137 OH2 TIP3 1764 -2.282 7.260 -3.757 1.00 0.00 WT1 O ATOM 8138 H1 TIP3 1764 3.129 15.938 4.496 1.00 0.00 WT1 H ATOM 8139 H2 TIP3 1764 3.785 -8.553 -3.556 1.00 0.00 WT1 H ATOM 8140 OH2 TIP3 1765 4.539 -1.511 -0.351 1.00 0.00 WT1 O ATOM 8141 H1 TIP3 1765 -5.130 -17.749 -0.463 1.00 0.00 WT1 H ATOM 8142 H2 TIP3 1765 4.083 -12.622 -0.684 1.00 0.00 WT1 H ATOM 8143 OH2 TIP3 1766 -1.601 0.943 1.258 1.00 0.00 WT1 O ATOM 8144 H1 TIP3 1766 -12.626 0.910 -18.835 1.00 0.00 WT1 H ATOM 8145 H2 TIP3 1766 -8.402 -17.050 19.298 1.00 0.00 WT1 H ATOM 8146 OH2 TIP3 1767 2.587 -0.522 -3.285 1.00 0.00 WT1 O ATOM 8147 H1 TIP3 1767 20.479 -6.374 2.452 1.00 0.00 WT1 H ATOM 8148 H2 TIP3 1767 -9.137 3.820 -8.343 1.00 0.00 WT1 H ATOM 8149 OH2 TIP3 1768 3.351 0.696 6.367 1.00 0.00 WT1 O ATOM 8150 H1 TIP3 1768 -17.748 2.849 -19.872 1.00 0.00 WT1 H ATOM 8151 H2 TIP3 1768 8.496 -11.900 12.295 1.00 0.00 WT1 H ATOM 8152 OH2 TIP3 1769 -6.779 4.300 -0.141 1.00 0.00 WT1 O ATOM 8153 H1 TIP3 1769 -16.745 -8.660 -8.079 1.00 0.00 WT1 H ATOM 8154 H2 TIP3 1769 5.633 13.718 -14.929 1.00 0.00 WT1 H ATOM 8155 OH2 TIP3 1770 -0.718 -2.940 4.217 1.00 0.00 WT1 O ATOM 8156 H1 TIP3 1770 -9.250 -38.210 -2.332 1.00 0.00 WT1 H ATOM 8157 H2 TIP3 1770 -5.372 0.229 8.227 1.00 0.00 WT1 H ATOM 8158 OH2 TIP3 1771 -3.497 2.007 -1.952 1.00 0.00 WT1 O ATOM 8159 H1 TIP3 1771 -1.160 0.898 2.635 1.00 0.00 WT1 H ATOM 8160 H2 TIP3 1771 5.817 -6.685 18.451 1.00 0.00 WT1 H ATOM 8161 OH2 TIP3 1772 2.645 1.540 2.896 1.00 0.00 WT1 O ATOM 8162 H1 TIP3 1772 5.941 4.944 -22.982 1.00 0.00 WT1 H ATOM 8163 H2 TIP3 1772 -29.478 16.041 4.953 1.00 0.00 WT1 H ATOM 8164 OH2 TIP3 1773 -2.178 1.085 -0.343 1.00 0.00 WT1 O ATOM 8165 H1 TIP3 1773 -7.994 8.576 14.269 1.00 0.00 WT1 H ATOM 8166 H2 TIP3 1773 25.858 -9.012 4.416 1.00 0.00 WT1 H ATOM 8167 OH2 TIP3 1774 0.520 0.780 1.423 1.00 0.00 WT1 O ATOM 8168 H1 TIP3 1774 -1.841 16.340 -10.647 1.00 0.00 WT1 H ATOM 8169 H2 TIP3 1774 -1.404 3.433 -8.044 1.00 0.00 WT1 H ATOM 8170 OH2 TIP3 1775 1.070 1.788 -1.300 1.00 0.00 WT1 O ATOM 8171 H1 TIP3 1775 7.554 20.081 -2.526 1.00 0.00 WT1 H ATOM 8172 H2 TIP3 1775 -6.529 12.831 12.485 1.00 0.00 WT1 H ATOM 8173 OH2 TIP3 1776 -9.402 2.116 -4.555 1.00 0.00 WT1 O ATOM 8174 H1 TIP3 1776 -14.950 12.137 -1.624 1.00 0.00 WT1 H ATOM 8175 H2 TIP3 1776 -2.429 -13.773 -9.643 1.00 0.00 WT1 H ATOM 8176 OH2 TIP3 1777 2.782 -2.023 -0.615 1.00 0.00 WT1 O ATOM 8177 H1 TIP3 1777 18.733 8.252 5.743 1.00 0.00 WT1 H ATOM 8178 H2 TIP3 1777 -16.921 0.695 3.395 1.00 0.00 WT1 H ATOM 8179 OH2 TIP3 1778 4.198 1.962 2.414 1.00 0.00 WT1 O ATOM 8180 H1 TIP3 1778 -15.228 -27.106 -16.481 1.00 0.00 WT1 H ATOM 8181 H2 TIP3 1778 -3.786 -20.088 11.813 1.00 0.00 WT1 H ATOM 8182 OH2 TIP3 1779 6.344 10.002 -0.516 1.00 0.00 WT1 O ATOM 8183 H1 TIP3 1779 -0.935 12.060 -13.324 1.00 0.00 WT1 H ATOM 8184 H2 TIP3 1779 0.186 0.410 7.466 1.00 0.00 WT1 H ATOM 8185 OH2 TIP3 1781 -5.733 -0.985 -3.197 1.00 0.00 WT1 O ATOM 8186 H1 TIP3 1781 6.286 -2.901 -6.360 1.00 0.00 WT1 H ATOM 8187 H2 TIP3 1781 -36.807 15.231 -1.092 1.00 0.00 WT1 H ATOM 8188 OH2 TIP3 1782 -2.658 0.940 2.382 1.00 0.00 WT1 O ATOM 8189 H1 TIP3 1782 3.771 4.403 -14.548 1.00 0.00 WT1 H ATOM 8190 H2 TIP3 1782 1.659 6.559 -10.634 1.00 0.00 WT1 H ATOM 8191 OH2 TIP3 1783 5.842 -1.727 -1.993 1.00 0.00 WT1 O ATOM 8192 H1 TIP3 1783 -23.572 -1.886 0.673 1.00 0.00 WT1 H ATOM 8193 H2 TIP3 1783 -0.963 -18.404 4.552 1.00 0.00 WT1 H ATOM 8194 OH2 TIP3 1784 3.172 1.114 -4.142 1.00 0.00 WT1 O ATOM 8195 H1 TIP3 1784 -8.588 21.611 4.326 1.00 0.00 WT1 H ATOM 8196 H2 TIP3 1784 0.276 -5.644 -20.824 1.00 0.00 WT1 H ATOM 8197 OH2 TIP3 1785 0.673 -0.179 1.529 1.00 0.00 WT1 O ATOM 8198 H1 TIP3 1785 7.280 5.699 10.451 1.00 0.00 WT1 H ATOM 8199 H2 TIP3 1785 6.459 10.658 15.474 1.00 0.00 WT1 H ATOM 8200 OH2 TIP3 1786 -2.156 0.197 6.784 1.00 0.00 WT1 O ATOM 8201 H1 TIP3 1786 23.713 -14.558 14.934 1.00 0.00 WT1 H ATOM 8202 H2 TIP3 1786 11.760 13.001 -6.615 1.00 0.00 WT1 H ATOM 8203 OH2 TIP3 1787 -8.014 -0.633 -2.270 1.00 0.00 WT1 O ATOM 8204 H1 TIP3 1787 -7.881 11.233 18.644 1.00 0.00 WT1 H ATOM 8205 H2 TIP3 1787 4.031 -3.598 -3.746 1.00 0.00 WT1 H ATOM 8206 OH2 TIP3 1788 -4.332 1.494 -0.292 1.00 0.00 WT1 O ATOM 8207 H1 TIP3 1788 -9.778 27.663 -20.856 1.00 0.00 WT1 H ATOM 8208 H2 TIP3 1788 -34.141 -6.585 -3.017 1.00 0.00 WT1 H ATOM 8209 OH2 TIP3 1789 3.738 0.759 5.068 1.00 0.00 WT1 O ATOM 8210 H1 TIP3 1789 -1.745 0.797 -1.536 1.00 0.00 WT1 H ATOM 8211 H2 TIP3 1789 1.236 2.640 7.687 1.00 0.00 WT1 H ATOM 8212 OH2 TIP3 1790 8.065 1.659 -2.055 1.00 0.00 WT1 O ATOM 8213 H1 TIP3 1790 -2.959 5.789 -11.809 1.00 0.00 WT1 H ATOM 8214 H2 TIP3 1790 21.682 2.533 -5.372 1.00 0.00 WT1 H ATOM 8215 OH2 TIP3 1791 5.195 -3.430 3.725 1.00 0.00 WT1 O ATOM 8216 H1 TIP3 1791 35.143 -33.683 3.039 1.00 0.00 WT1 H ATOM 8217 H2 TIP3 1791 14.340 -34.758 10.764 1.00 0.00 WT1 H ATOM 8218 OH2 TIP3 1792 -4.400 -4.352 0.506 1.00 0.00 WT1 O ATOM 8219 H1 TIP3 1792 -6.199 -5.038 -6.902 1.00 0.00 WT1 H ATOM 8220 H2 TIP3 1792 1.632 -6.065 -7.387 1.00 0.00 WT1 H ATOM 8221 OH2 TIP3 1793 -1.126 3.311 1.394 1.00 0.00 WT1 O ATOM 8222 H1 TIP3 1793 -14.473 5.208 18.000 1.00 0.00 WT1 H ATOM 8223 H2 TIP3 1793 6.472 3.619 -13.667 1.00 0.00 WT1 H ATOM 8224 OH2 TIP3 1794 0.743 -0.035 6.577 1.00 0.00 WT1 O ATOM 8225 H1 TIP3 1794 -3.104 -0.744 24.497 1.00 0.00 WT1 H ATOM 8226 H2 TIP3 1794 11.901 12.177 5.488 1.00 0.00 WT1 H ATOM 8227 OH2 TIP3 1795 1.316 -3.037 0.343 1.00 0.00 WT1 O ATOM 8228 H1 TIP3 1795 26.258 21.653 1.926 1.00 0.00 WT1 H ATOM 8229 H2 TIP3 1795 7.075 5.572 26.094 1.00 0.00 WT1 H ATOM 8230 OH2 TIP3 1796 -5.800 1.747 -2.950 1.00 0.00 WT1 O ATOM 8231 H1 TIP3 1796 -7.488 19.757 -15.600 1.00 0.00 WT1 H ATOM 8232 H2 TIP3 1796 -7.069 8.567 -9.903 1.00 0.00 WT1 H ATOM 8233 OH2 TIP3 1797 -2.101 0.581 -1.284 1.00 0.00 WT1 O ATOM 8234 H1 TIP3 1797 0.586 3.417 -1.389 1.00 0.00 WT1 H ATOM 8235 H2 TIP3 1797 -20.990 -17.802 -2.777 1.00 0.00 WT1 H ATOM 8236 OH2 TIP3 1798 -1.870 3.335 -0.473 1.00 0.00 WT1 O ATOM 8237 H1 TIP3 1798 2.236 -11.498 -0.358 1.00 0.00 WT1 H ATOM 8238 H2 TIP3 1798 0.117 8.408 13.905 1.00 0.00 WT1 H ATOM 8239 OH2 TIP3 1799 2.624 2.565 1.682 1.00 0.00 WT1 O ATOM 8240 H1 TIP3 1799 22.162 13.085 -18.907 1.00 0.00 WT1 H ATOM 8241 H2 TIP3 1799 -1.036 0.918 9.618 1.00 0.00 WT1 H ATOM 8242 OH2 TIP3 1800 -0.756 -8.903 -0.312 1.00 0.00 WT1 O ATOM 8243 H1 TIP3 1800 20.124 -5.567 20.633 1.00 0.00 WT1 H ATOM 8244 H2 TIP3 1800 -0.002 -7.752 -3.775 1.00 0.00 WT1 H ATOM 8245 OH2 TIP3 1801 -7.309 5.092 6.552 1.00 0.00 WT1 O ATOM 8246 H1 TIP3 1801 15.933 11.513 -11.099 1.00 0.00 WT1 H ATOM 8247 H2 TIP3 1801 -30.283 13.163 -11.066 1.00 0.00 WT1 H ATOM 8248 OH2 TIP3 1802 2.486 -0.644 5.374 1.00 0.00 WT1 O ATOM 8249 H1 TIP3 1802 -10.842 1.991 7.566 1.00 0.00 WT1 H ATOM 8250 H2 TIP3 1802 13.035 15.584 1.059 1.00 0.00 WT1 H ATOM 8251 OH2 TIP3 1803 4.036 -3.517 -0.695 1.00 0.00 WT1 O ATOM 8252 H1 TIP3 1803 -5.246 12.034 -12.601 1.00 0.00 WT1 H ATOM 8253 H2 TIP3 1803 7.765 11.852 -3.458 1.00 0.00 WT1 H ATOM 8254 OH2 TIP3 1804 8.201 -0.422 1.653 1.00 0.00 WT1 O ATOM 8255 H1 TIP3 1804 9.262 -1.641 2.152 1.00 0.00 WT1 H ATOM 8256 H2 TIP3 1804 -3.182 11.191 3.064 1.00 0.00 WT1 H ATOM 8257 OH2 TIP3 1805 -4.553 -0.356 9.498 1.00 0.00 WT1 O ATOM 8258 H1 TIP3 1805 3.983 0.779 5.564 1.00 0.00 WT1 H ATOM 8259 H2 TIP3 1805 2.999 -0.003 5.341 1.00 0.00 WT1 H ATOM 8260 OH2 TIP3 1807 0.194 -4.232 2.118 1.00 0.00 WT1 O ATOM 8261 H1 TIP3 1807 -28.346 0.734 2.770 1.00 0.00 WT1 H ATOM 8262 H2 TIP3 1807 -19.237 16.086 15.001 1.00 0.00 WT1 H ATOM 8263 OH2 TIP3 1808 -1.925 3.861 -6.046 1.00 0.00 WT1 O ATOM 8264 H1 TIP3 1808 -20.206 9.028 13.814 1.00 0.00 WT1 H ATOM 8265 H2 TIP3 1808 7.076 -2.053 -10.852 1.00 0.00 WT1 H ATOM 8266 OH2 TIP3 1809 -1.576 -2.803 1.821 1.00 0.00 WT1 O ATOM 8267 H1 TIP3 1809 8.419 -4.369 1.596 1.00 0.00 WT1 H ATOM 8268 H2 TIP3 1809 -2.116 -3.100 1.531 1.00 0.00 WT1 H ATOM 8269 OH2 TIP3 1810 -6.156 1.364 -5.064 1.00 0.00 WT1 O ATOM 8270 H1 TIP3 1810 21.030 -8.459 -20.397 1.00 0.00 WT1 H ATOM 8271 H2 TIP3 1810 -1.706 31.821 1.831 1.00 0.00 WT1 H ATOM 8272 OH2 TIP3 1811 1.945 4.167 0.227 1.00 0.00 WT1 O ATOM 8273 H1 TIP3 1811 9.969 11.810 -6.466 1.00 0.00 WT1 H ATOM 8274 H2 TIP3 1811 6.364 1.424 10.883 1.00 0.00 WT1 H ATOM 8275 OH2 TIP3 1812 0.177 -4.397 -0.908 1.00 0.00 WT1 O ATOM 8276 H1 TIP3 1812 -8.852 -23.089 0.133 1.00 0.00 WT1 H ATOM 8277 H2 TIP3 1812 -9.334 -8.242 -3.158 1.00 0.00 WT1 H ATOM 8278 OH2 TIP3 1813 1.412 0.219 -4.815 1.00 0.00 WT1 O ATOM 8279 H1 TIP3 1813 5.082 0.536 -0.710 1.00 0.00 WT1 H ATOM 8280 H2 TIP3 1813 -3.872 0.351 -6.826 1.00 0.00 WT1 H ATOM 8281 OH2 TIP3 1814 2.173 2.711 -0.534 1.00 0.00 WT1 O ATOM 8282 H1 TIP3 1814 -0.161 -7.644 -16.508 1.00 0.00 WT1 H ATOM 8283 H2 TIP3 1814 17.149 -8.410 3.868 1.00 0.00 WT1 H ATOM 8284 OH2 TIP3 1815 -1.893 -0.134 -6.025 1.00 0.00 WT1 O ATOM 8285 H1 TIP3 1815 -5.330 11.893 19.973 1.00 0.00 WT1 H ATOM 8286 H2 TIP3 1815 -1.421 1.621 -3.642 1.00 0.00 WT1 H ATOM 8287 OH2 TIP3 1816 -1.912 2.072 3.854 1.00 0.00 WT1 O ATOM 8288 H1 TIP3 1816 3.578 -18.716 7.323 1.00 0.00 WT1 H ATOM 8289 H2 TIP3 1816 -7.867 7.880 -6.945 1.00 0.00 WT1 H ATOM 8290 OH2 TIP3 1817 3.195 0.454 1.146 1.00 0.00 WT1 O ATOM 8291 H1 TIP3 1817 7.249 26.314 -20.949 1.00 0.00 WT1 H ATOM 8292 H2 TIP3 1817 8.647 21.932 -18.591 1.00 0.00 WT1 H ATOM 8293 OH2 TIP3 1818 1.046 5.162 1.955 1.00 0.00 WT1 O ATOM 8294 H1 TIP3 1818 -3.066 0.722 2.234 1.00 0.00 WT1 H ATOM 8295 H2 TIP3 1818 -5.713 -11.216 5.759 1.00 0.00 WT1 H ATOM 8296 OH2 TIP3 1819 4.730 -4.657 -4.557 1.00 0.00 WT1 O ATOM 8297 H1 TIP3 1819 6.018 1.949 -15.816 1.00 0.00 WT1 H ATOM 8298 H2 TIP3 1819 10.951 -13.095 -8.561 1.00 0.00 WT1 H ATOM 8299 OH2 TIP3 1820 -2.567 -0.534 -2.674 1.00 0.00 WT1 O ATOM 8300 H1 TIP3 1820 -0.661 -4.840 -8.677 1.00 0.00 WT1 H ATOM 8301 H2 TIP3 1820 -1.954 24.318 -12.810 1.00 0.00 WT1 H ATOM 8302 OH2 TIP3 1821 -0.770 3.125 1.129 1.00 0.00 WT1 O ATOM 8303 H1 TIP3 1821 29.496 10.068 0.983 1.00 0.00 WT1 H ATOM 8304 H2 TIP3 1821 0.575 11.794 8.832 1.00 0.00 WT1 H ATOM 8305 OH2 TIP3 1823 -0.705 -2.313 2.944 1.00 0.00 WT1 O ATOM 8306 H1 TIP3 1823 3.663 -3.822 10.316 1.00 0.00 WT1 H ATOM 8307 H2 TIP3 1823 2.381 -3.174 6.785 1.00 0.00 WT1 H ATOM 8308 OH2 TIP3 1824 -4.629 -0.459 -4.751 1.00 0.00 WT1 O ATOM 8309 H1 TIP3 1824 4.448 -22.182 3.427 1.00 0.00 WT1 H ATOM 8310 H2 TIP3 1824 -9.484 5.530 3.613 1.00 0.00 WT1 H ATOM 8311 OH2 TIP3 1825 -0.262 3.114 1.562 1.00 0.00 WT1 O ATOM 8312 H1 TIP3 1825 4.036 -13.124 15.401 1.00 0.00 WT1 H ATOM 8313 H2 TIP3 1825 5.503 1.360 -13.085 1.00 0.00 WT1 H ATOM 8314 OH2 TIP3 1826 -1.402 -0.084 -5.984 1.00 0.00 WT1 O ATOM 8315 H1 TIP3 1826 -1.917 -7.420 -13.083 1.00 0.00 WT1 H ATOM 8316 H2 TIP3 1826 4.021 -14.629 -12.711 1.00 0.00 WT1 H ATOM 8317 OH2 TIP3 1827 -2.233 -0.640 -0.616 1.00 0.00 WT1 O ATOM 8318 H1 TIP3 1827 -3.621 5.380 -4.464 1.00 0.00 WT1 H ATOM 8319 H2 TIP3 1827 -9.576 -8.901 1.726 1.00 0.00 WT1 H ATOM 8320 OH2 TIP3 1828 5.670 -0.212 6.357 1.00 0.00 WT1 O ATOM 8321 H1 TIP3 1828 22.458 -1.603 3.025 1.00 0.00 WT1 H ATOM 8322 H2 TIP3 1828 -14.721 -1.480 2.656 1.00 0.00 WT1 H ATOM 8323 OH2 TIP3 1829 -0.448 2.702 2.386 1.00 0.00 WT1 O ATOM 8324 H1 TIP3 1829 0.577 2.242 3.036 1.00 0.00 WT1 H ATOM 8325 H2 TIP3 1829 -3.070 2.373 -4.099 1.00 0.00 WT1 H ATOM 8326 OH2 TIP3 1830 -1.678 -2.656 -5.426 1.00 0.00 WT1 O ATOM 8327 H1 TIP3 1830 -21.425 -10.155 -9.383 1.00 0.00 WT1 H ATOM 8328 H2 TIP3 1830 -14.738 -6.388 4.126 1.00 0.00 WT1 H ATOM 8329 OH2 TIP3 1831 -2.576 -1.976 -1.774 1.00 0.00 WT1 O ATOM 8330 H1 TIP3 1831 -7.211 -22.749 -2.831 1.00 0.00 WT1 H ATOM 8331 H2 TIP3 1831 -29.625 18.107 -2.068 1.00 0.00 WT1 H ATOM 8332 OH2 TIP3 1832 -0.537 0.100 0.091 1.00 0.00 WT1 O ATOM 8333 H1 TIP3 1832 -1.774 14.058 -14.679 1.00 0.00 WT1 H ATOM 8334 H2 TIP3 1832 -10.717 11.176 10.982 1.00 0.00 WT1 H ATOM 8335 OH2 TIP3 1833 -0.272 -1.393 1.397 1.00 0.00 WT1 O ATOM 8336 H1 TIP3 1833 3.662 -3.244 -1.851 1.00 0.00 WT1 H ATOM 8337 H2 TIP3 1833 16.277 -7.579 -29.717 1.00 0.00 WT1 H ATOM 8338 OH2 TIP3 1834 4.549 -3.797 3.598 1.00 0.00 WT1 O ATOM 8339 H1 TIP3 1834 4.473 0.529 -7.539 1.00 0.00 WT1 H ATOM 8340 H2 TIP3 1834 9.233 0.849 -22.730 1.00 0.00 WT1 H ATOM 8341 OH2 TIP3 1835 -3.566 0.942 0.367 1.00 0.00 WT1 O ATOM 8342 H1 TIP3 1835 -7.055 -3.194 6.193 1.00 0.00 WT1 H ATOM 8343 H2 TIP3 1835 -13.944 -14.350 18.470 1.00 0.00 WT1 H ATOM 8344 OH2 TIP3 1836 -1.769 -9.126 -1.136 1.00 0.00 WT1 O ATOM 8345 H1 TIP3 1836 13.249 -18.785 1.563 1.00 0.00 WT1 H ATOM 8346 H2 TIP3 1836 -6.129 -15.342 -12.973 1.00 0.00 WT1 H ATOM 8347 OH2 TIP3 1837 4.094 -1.584 0.506 1.00 0.00 WT1 O ATOM 8348 H1 TIP3 1837 -1.023 -0.394 5.640 1.00 0.00 WT1 H ATOM 8349 H2 TIP3 1837 11.999 -28.453 -19.866 1.00 0.00 WT1 H ATOM 8350 OH2 TIP3 1838 -2.567 -2.452 3.602 1.00 0.00 WT1 O ATOM 8351 H1 TIP3 1838 11.964 -11.413 2.914 1.00 0.00 WT1 H ATOM 8352 H2 TIP3 1838 -4.324 7.239 15.538 1.00 0.00 WT1 H ATOM 8353 OH2 TIP3 1839 -1.413 -0.210 -0.083 1.00 0.00 WT1 O ATOM 8354 H1 TIP3 1839 -1.420 6.291 -11.576 1.00 0.00 WT1 H ATOM 8355 H2 TIP3 1839 -12.169 11.333 6.575 1.00 0.00 WT1 H ATOM 8356 OH2 TIP3 1841 2.375 3.261 -2.738 1.00 0.00 WT1 O ATOM 8357 H1 TIP3 1841 6.163 -5.141 6.889 1.00 0.00 WT1 H ATOM 8358 H2 TIP3 1841 10.909 -7.949 -10.658 1.00 0.00 WT1 H ATOM 8359 OH2 TIP3 1842 2.252 2.938 0.261 1.00 0.00 WT1 O ATOM 8360 H1 TIP3 1842 -2.865 -9.663 8.047 1.00 0.00 WT1 H ATOM 8361 H2 TIP3 1842 -9.903 -8.439 -0.189 1.00 0.00 WT1 H ATOM 8362 OH2 TIP3 1843 -5.470 -4.640 4.092 1.00 0.00 WT1 O ATOM 8363 H1 TIP3 1843 13.718 4.835 14.419 1.00 0.00 WT1 H ATOM 8364 H2 TIP3 1843 -0.586 13.477 7.874 1.00 0.00 WT1 H ATOM 8365 OH2 TIP3 1844 4.315 -0.705 -0.045 1.00 0.00 WT1 O ATOM 8366 H1 TIP3 1844 -17.447 -17.239 7.131 1.00 0.00 WT1 H ATOM 8367 H2 TIP3 1844 7.291 -9.807 8.136 1.00 0.00 WT1 H ATOM 8368 OH2 TIP3 1845 2.623 -1.309 -3.805 1.00 0.00 WT1 O ATOM 8369 H1 TIP3 1845 15.392 -16.466 3.105 1.00 0.00 WT1 H ATOM 8370 H2 TIP3 1845 0.083 18.950 -16.506 1.00 0.00 WT1 H ATOM 8371 OH2 TIP3 1846 -6.686 4.502 0.482 1.00 0.00 WT1 O ATOM 8372 H1 TIP3 1846 9.241 -5.905 -20.918 1.00 0.00 WT1 H ATOM 8373 H2 TIP3 1846 5.031 12.618 14.761 1.00 0.00 WT1 H ATOM 8374 OH2 TIP3 1847 -3.545 -4.025 1.759 1.00 0.00 WT1 O ATOM 8375 H1 TIP3 1847 -0.864 17.877 19.741 1.00 0.00 WT1 H ATOM 8376 H2 TIP3 1847 7.622 -4.911 -0.926 1.00 0.00 WT1 H ATOM 8377 OH2 TIP3 1848 2.715 -1.358 -1.005 1.00 0.00 WT1 O ATOM 8378 H1 TIP3 1848 -1.124 -9.248 -7.344 1.00 0.00 WT1 H ATOM 8379 H2 TIP3 1848 3.475 41.951 -19.990 1.00 0.00 WT1 H ATOM 8380 OH2 TIP3 1850 1.250 6.745 -5.192 1.00 0.00 WT1 O ATOM 8381 H1 TIP3 1850 9.665 2.865 -7.727 1.00 0.00 WT1 H ATOM 8382 H2 TIP3 1850 -0.386 4.157 8.095 1.00 0.00 WT1 H ATOM 8383 OH2 TIP3 1851 -0.438 -2.484 -3.598 1.00 0.00 WT1 O ATOM 8384 H1 TIP3 1851 -1.472 1.717 13.097 1.00 0.00 WT1 H ATOM 8385 H2 TIP3 1851 2.325 -12.911 8.188 1.00 0.00 WT1 H ATOM 8386 OH2 TIP3 1852 2.902 4.898 -2.654 1.00 0.00 WT1 O ATOM 8387 H1 TIP3 1852 7.278 5.129 -6.811 1.00 0.00 WT1 H ATOM 8388 H2 TIP3 1852 9.892 6.472 -5.632 1.00 0.00 WT1 H ATOM 8389 OH2 TIP3 1853 -0.932 1.650 -2.829 1.00 0.00 WT1 O ATOM 8390 H1 TIP3 1853 15.829 17.262 -8.736 1.00 0.00 WT1 H ATOM 8391 H2 TIP3 1853 0.276 -0.403 -0.636 1.00 0.00 WT1 H ATOM 8392 OH2 TIP3 1854 -3.287 0.975 -2.554 1.00 0.00 WT1 O ATOM 8393 H1 TIP3 1854 3.053 14.627 8.562 1.00 0.00 WT1 H ATOM 8394 H2 TIP3 1854 -20.976 12.078 -21.259 1.00 0.00 WT1 H ATOM 8395 OH2 TIP3 1855 -2.520 1.696 -5.235 1.00 0.00 WT1 O ATOM 8396 H1 TIP3 1855 2.231 14.904 3.059 1.00 0.00 WT1 H ATOM 8397 H2 TIP3 1855 3.397 7.299 6.414 1.00 0.00 WT1 H ATOM 8398 OH2 TIP3 1856 0.069 0.728 -4.597 1.00 0.00 WT1 O ATOM 8399 H1 TIP3 1856 0.741 3.131 -2.424 1.00 0.00 WT1 H ATOM 8400 H2 TIP3 1856 6.580 4.583 -1.149 1.00 0.00 WT1 H ATOM 8401 OH2 TIP3 1858 -1.998 -8.522 1.670 1.00 0.00 WT1 O ATOM 8402 H1 TIP3 1858 -3.406 -16.071 7.660 1.00 0.00 WT1 H ATOM 8403 H2 TIP3 1858 0.315 10.165 5.344 1.00 0.00 WT1 H ATOM 8404 OH2 TIP3 1859 0.320 -4.227 -3.089 1.00 0.00 WT1 O ATOM 8405 H1 TIP3 1859 7.131 2.454 5.941 1.00 0.00 WT1 H ATOM 8406 H2 TIP3 1859 0.376 -0.995 0.455 1.00 0.00 WT1 H ATOM 8407 OH2 TIP3 1860 -6.762 -1.808 -5.888 1.00 0.00 WT1 O ATOM 8408 H1 TIP3 1860 -0.395 -15.129 -24.090 1.00 0.00 WT1 H ATOM 8409 H2 TIP3 1860 4.863 -2.705 -7.991 1.00 0.00 WT1 H ATOM 8410 OH2 TIP3 1861 -0.884 -1.973 -6.005 1.00 0.00 WT1 O ATOM 8411 H1 TIP3 1861 5.795 9.319 11.504 1.00 0.00 WT1 H ATOM 8412 H2 TIP3 1861 -0.082 17.140 7.344 1.00 0.00 WT1 H ATOM 8413 OH2 TIP3 1862 1.919 -7.365 -0.643 1.00 0.00 WT1 O ATOM 8414 H1 TIP3 1862 7.317 -4.667 -1.583 1.00 0.00 WT1 H ATOM 8415 H2 TIP3 1862 1.226 -8.359 -0.146 1.00 0.00 WT1 H ATOM 8416 OH2 TIP3 1863 -4.640 1.740 1.614 1.00 0.00 WT1 O ATOM 8417 H1 TIP3 1863 6.202 -22.566 -3.632 1.00 0.00 WT1 H ATOM 8418 H2 TIP3 1863 -14.612 23.379 4.843 1.00 0.00 WT1 H ATOM 8419 OH2 TIP3 1864 0.690 3.937 1.603 1.00 0.00 WT1 O ATOM 8420 H1 TIP3 1864 0.160 -15.114 24.984 1.00 0.00 WT1 H ATOM 8421 H2 TIP3 1864 -8.483 -5.953 -23.475 1.00 0.00 WT1 H ATOM 8422 OH2 TIP3 1866 6.854 4.085 2.221 1.00 0.00 WT1 O ATOM 8423 H1 TIP3 1866 7.177 -0.487 3.391 1.00 0.00 WT1 H ATOM 8424 H2 TIP3 1866 6.593 2.512 0.459 1.00 0.00 WT1 H ATOM 8425 OH2 TIP3 1867 -2.026 -1.447 -3.655 1.00 0.00 WT1 O ATOM 8426 H1 TIP3 1867 10.840 0.159 2.846 1.00 0.00 WT1 H ATOM 8427 H2 TIP3 1867 -5.309 -24.900 -7.732 1.00 0.00 WT1 H ATOM 8428 OH2 TIP3 1868 -3.399 -3.479 2.840 1.00 0.00 WT1 O ATOM 8429 H1 TIP3 1868 4.846 -12.554 -11.339 1.00 0.00 WT1 H ATOM 8430 H2 TIP3 1868 -8.807 6.627 -4.224 1.00 0.00 WT1 H ATOM 8431 OH2 TIP3 1869 -3.033 -7.116 4.584 1.00 0.00 WT1 O ATOM 8432 H1 TIP3 1869 -9.062 -4.860 -0.741 1.00 0.00 WT1 H ATOM 8433 H2 TIP3 1869 -0.339 -9.680 17.056 1.00 0.00 WT1 H ATOM 8434 OH2 TIP3 1870 4.404 -5.087 -1.879 1.00 0.00 WT1 O ATOM 8435 H1 TIP3 1870 5.966 -6.765 -1.383 1.00 0.00 WT1 H ATOM 8436 H2 TIP3 1870 2.236 -12.818 -15.821 1.00 0.00 WT1 H ATOM 8437 OH2 TIP3 1871 -1.867 3.984 -2.756 1.00 0.00 WT1 O ATOM 8438 H1 TIP3 1871 -5.951 -0.340 -6.123 1.00 0.00 WT1 H ATOM 8439 H2 TIP3 1871 -8.226 10.220 5.667 1.00 0.00 WT1 H ATOM 8440 OH2 TIP3 1872 1.294 -0.452 3.168 1.00 0.00 WT1 O ATOM 8441 H1 TIP3 1872 -5.366 -0.282 16.186 1.00 0.00 WT1 H ATOM 8442 H2 TIP3 1872 -2.734 -17.001 -2.997 1.00 0.00 WT1 H ATOM 8443 OH2 TIP3 1873 1.669 2.859 -6.690 1.00 0.00 WT1 O ATOM 8444 H1 TIP3 1873 -3.994 3.544 0.557 1.00 0.00 WT1 H ATOM 8445 H2 TIP3 1873 3.258 -24.963 4.892 1.00 0.00 WT1 H ATOM 8446 OH2 TIP3 1874 0.267 2.703 -2.561 1.00 0.00 WT1 O ATOM 8447 H1 TIP3 1874 -8.620 4.424 22.700 1.00 0.00 WT1 H ATOM 8448 H2 TIP3 1874 9.687 2.793 -14.003 1.00 0.00 WT1 H ATOM 8449 OH2 TIP3 1875 5.089 2.138 -1.652 1.00 0.00 WT1 O ATOM 8450 H1 TIP3 1875 -1.009 1.369 19.670 1.00 0.00 WT1 H ATOM 8451 H2 TIP3 1875 1.870 8.721 3.634 1.00 0.00 WT1 H ATOM 8452 OH2 TIP3 1876 -1.838 -2.603 -2.202 1.00 0.00 WT1 O ATOM 8453 H1 TIP3 1876 -5.278 3.069 8.365 1.00 0.00 WT1 H ATOM 8454 H2 TIP3 1876 -1.690 -2.118 -5.554 1.00 0.00 WT1 H ATOM 8455 OH2 TIP3 1877 4.892 0.649 -2.804 1.00 0.00 WT1 O ATOM 8456 H1 TIP3 1877 17.635 27.955 -9.421 1.00 0.00 WT1 H ATOM 8457 H2 TIP3 1877 15.073 15.091 -2.486 1.00 0.00 WT1 H ATOM 8458 OH2 TIP3 1878 5.855 -5.765 2.883 1.00 0.00 WT1 O ATOM 8459 H1 TIP3 1878 -3.712 -20.767 -9.100 1.00 0.00 WT1 H ATOM 8460 H2 TIP3 1878 -3.838 -13.477 6.966 1.00 0.00 WT1 H ATOM 8461 OH2 TIP3 1879 -3.486 0.292 2.154 1.00 0.00 WT1 O ATOM 8462 H1 TIP3 1879 -4.643 -11.288 22.792 1.00 0.00 WT1 H ATOM 8463 H2 TIP3 1879 -0.273 18.260 -0.166 1.00 0.00 WT1 H ATOM 8464 OH2 TIP3 1880 -6.526 4.463 2.723 1.00 0.00 WT1 O ATOM 8465 H1 TIP3 1880 -3.980 -13.375 -12.328 1.00 0.00 WT1 H ATOM 8466 H2 TIP3 1880 11.524 0.032 -8.980 1.00 0.00 WT1 H ATOM 8467 OH2 TIP3 1881 8.124 -5.619 -2.799 1.00 0.00 WT1 O ATOM 8468 H1 TIP3 1881 18.847 -12.354 -8.146 1.00 0.00 WT1 H ATOM 8469 H2 TIP3 1881 -10.041 6.200 6.353 1.00 0.00 WT1 H ATOM 8470 OH2 TIP3 1882 0.063 5.946 -8.951 1.00 0.00 WT1 O ATOM 8471 H1 TIP3 1882 -7.692 -8.787 9.953 1.00 0.00 WT1 H ATOM 8472 H2 TIP3 1882 -17.408 -3.339 18.923 1.00 0.00 WT1 H ATOM 8473 OH2 TIP3 1883 1.868 4.555 3.509 1.00 0.00 WT1 O ATOM 8474 H1 TIP3 1883 9.168 -4.140 -8.334 1.00 0.00 WT1 H ATOM 8475 H2 TIP3 1883 1.630 -11.144 5.837 1.00 0.00 WT1 H ATOM 8476 OH2 TIP3 1884 -1.266 -2.966 2.810 1.00 0.00 WT1 O ATOM 8477 H1 TIP3 1884 18.249 -25.506 -8.733 1.00 0.00 WT1 H ATOM 8478 H2 TIP3 1884 0.224 -2.827 8.299 1.00 0.00 WT1 H ATOM 8479 OH2 TIP3 1885 0.524 -4.542 -3.412 1.00 0.00 WT1 O ATOM 8480 H1 TIP3 1885 6.809 -12.705 -0.203 1.00 0.00 WT1 H ATOM 8481 H2 TIP3 1885 6.040 4.242 -0.710 1.00 0.00 WT1 H ATOM 8482 OH2 TIP3 1886 0.149 -0.304 -1.416 1.00 0.00 WT1 O ATOM 8483 H1 TIP3 1886 -4.738 1.242 4.922 1.00 0.00 WT1 H ATOM 8484 H2 TIP3 1886 5.472 6.527 -3.102 1.00 0.00 WT1 H ATOM 8485 OH2 TIP3 1887 -2.207 3.230 3.057 1.00 0.00 WT1 O ATOM 8486 H1 TIP3 1887 -6.807 -3.019 7.136 1.00 0.00 WT1 H ATOM 8487 H2 TIP3 1887 2.715 11.104 -2.390 1.00 0.00 WT1 H ATOM 8488 OH2 TIP3 1888 -0.057 -5.296 0.147 1.00 0.00 WT1 O ATOM 8489 H1 TIP3 1888 -1.364 2.060 -13.851 1.00 0.00 WT1 H ATOM 8490 H2 TIP3 1888 -5.837 -8.479 5.055 1.00 0.00 WT1 H ATOM 8491 OH2 TIP3 1889 2.013 -0.047 6.462 1.00 0.00 WT1 O ATOM 8492 H1 TIP3 1889 34.090 -11.892 -20.630 1.00 0.00 WT1 H ATOM 8493 H2 TIP3 1889 -20.996 1.446 20.951 1.00 0.00 WT1 H ATOM 8494 OH2 TIP3 1890 -0.061 -0.594 0.609 1.00 0.00 WT1 O ATOM 8495 H1 TIP3 1890 2.923 7.388 -4.887 1.00 0.00 WT1 H ATOM 8496 H2 TIP3 1890 -11.261 4.677 1.906 1.00 0.00 WT1 H ATOM 8497 OH2 TIP3 1891 3.866 0.721 -0.090 1.00 0.00 WT1 O ATOM 8498 H1 TIP3 1891 -28.409 -38.051 11.234 1.00 0.00 WT1 H ATOM 8499 H2 TIP3 1891 33.006 -9.900 -22.071 1.00 0.00 WT1 H ATOM 8500 OH2 TIP3 1892 2.733 3.665 1.809 1.00 0.00 WT1 O ATOM 8501 H1 TIP3 1892 7.730 -1.044 -7.375 1.00 0.00 WT1 H ATOM 8502 H2 TIP3 1892 -25.197 0.373 -18.189 1.00 0.00 WT1 H ATOM 8503 OH2 TIP3 1893 0.624 -3.943 -0.378 1.00 0.00 WT1 O ATOM 8504 H1 TIP3 1893 -2.168 -22.446 -5.830 1.00 0.00 WT1 H ATOM 8505 H2 TIP3 1893 9.078 -5.004 6.755 1.00 0.00 WT1 H ATOM 8506 OH2 TIP3 1894 -0.511 4.676 -1.478 1.00 0.00 WT1 O ATOM 8507 H1 TIP3 1894 -12.742 21.433 -0.882 1.00 0.00 WT1 H ATOM 8508 H2 TIP3 1894 6.839 1.038 12.168 1.00 0.00 WT1 H ATOM 8509 OH2 TIP3 1895 4.762 -3.108 4.137 1.00 0.00 WT1 O ATOM 8510 H1 TIP3 1895 -11.343 -15.324 -1.026 1.00 0.00 WT1 H ATOM 8511 H2 TIP3 1895 -18.197 -20.903 12.924 1.00 0.00 WT1 H ATOM 8512 OH2 TIP3 1896 -1.325 0.639 -0.772 1.00 0.00 WT1 O ATOM 8513 H1 TIP3 1896 -11.721 -10.134 36.189 1.00 0.00 WT1 H ATOM 8514 H2 TIP3 1896 11.048 30.204 18.484 1.00 0.00 WT1 H ATOM 8515 OH2 TIP3 1897 4.847 -0.687 -2.240 1.00 0.00 WT1 O ATOM 8516 H1 TIP3 1897 -2.362 -0.097 -0.150 1.00 0.00 WT1 H ATOM 8517 H2 TIP3 1897 4.585 -3.389 -2.822 1.00 0.00 WT1 H ATOM 8518 OH2 TIP3 1898 3.819 -0.054 1.694 1.00 0.00 WT1 O ATOM 8519 H1 TIP3 1898 4.067 4.019 -2.239 1.00 0.00 WT1 H ATOM 8520 H2 TIP3 1898 -2.678 12.565 -12.728 1.00 0.00 WT1 H ATOM 8521 OH2 TIP3 1899 -6.208 -2.936 -1.754 1.00 0.00 WT1 O ATOM 8522 H1 TIP3 1899 -5.021 4.775 -7.102 1.00 0.00 WT1 H ATOM 8523 H2 TIP3 1899 20.650 25.196 -15.749 1.00 0.00 WT1 H ATOM 8524 OH2 TIP3 1900 4.607 -2.001 10.424 1.00 0.00 WT1 O ATOM 8525 H1 TIP3 1900 14.063 4.088 -48.535 1.00 0.00 WT1 H ATOM 8526 H2 TIP3 1900 -0.238 0.470 0.607 1.00 0.00 WT1 H ATOM 8527 OH2 TIP3 1901 -2.781 -1.322 5.973 1.00 0.00 WT1 O ATOM 8528 H1 TIP3 1901 -3.113 -5.217 4.706 1.00 0.00 WT1 H ATOM 8529 H2 TIP3 1901 -1.472 -6.972 5.636 1.00 0.00 WT1 H ATOM 8530 OH2 TIP3 1902 1.259 -3.334 -2.357 1.00 0.00 WT1 O ATOM 8531 H1 TIP3 1902 -4.073 -0.186 -2.452 1.00 0.00 WT1 H ATOM 8532 H2 TIP3 1902 -5.331 19.111 7.571 1.00 0.00 WT1 H ATOM 8533 OH2 TIP3 1903 1.674 2.950 -2.286 1.00 0.00 WT1 O ATOM 8534 H1 TIP3 1903 -3.976 -8.545 3.652 1.00 0.00 WT1 H ATOM 8535 H2 TIP3 1903 -4.896 12.935 5.359 1.00 0.00 WT1 H ATOM 8536 OH2 TIP3 1904 1.116 -5.188 -1.210 1.00 0.00 WT1 O ATOM 8537 H1 TIP3 1904 5.092 0.957 9.910 1.00 0.00 WT1 H ATOM 8538 H2 TIP3 1904 2.090 -15.326 29.158 1.00 0.00 WT1 H ATOM 8539 OH2 TIP3 1905 -3.051 5.387 4.960 1.00 0.00 WT1 O ATOM 8540 H1 TIP3 1905 -4.801 10.648 5.736 1.00 0.00 WT1 H ATOM 8541 H2 TIP3 1905 1.774 8.916 7.551 1.00 0.00 WT1 H ATOM 8542 OH2 TIP3 1906 -5.710 2.009 -0.420 1.00 0.00 WT1 O ATOM 8543 H1 TIP3 1906 -5.326 10.223 -0.191 1.00 0.00 WT1 H ATOM 8544 H2 TIP3 1906 -1.142 9.915 -2.467 1.00 0.00 WT1 H ATOM 8545 OH2 TIP3 1907 -0.751 -0.543 5.952 1.00 0.00 WT1 O ATOM 8546 H1 TIP3 1907 -0.120 1.174 -14.212 1.00 0.00 WT1 H ATOM 8547 H2 TIP3 1907 3.080 -8.820 12.808 1.00 0.00 WT1 H ATOM 8548 OH2 TIP3 1908 1.679 -2.042 2.557 1.00 0.00 WT1 O ATOM 8549 H1 TIP3 1908 -10.327 -3.330 22.777 1.00 0.00 WT1 H ATOM 8550 H2 TIP3 1908 3.085 0.141 -3.805 1.00 0.00 WT1 H ATOM 8551 OH2 TIP3 1909 1.068 4.094 -0.707 1.00 0.00 WT1 O ATOM 8552 H1 TIP3 1909 -21.679 -9.237 1.494 1.00 0.00 WT1 H ATOM 8553 H2 TIP3 1909 0.990 0.224 -15.258 1.00 0.00 WT1 H ATOM 8554 OH2 TIP3 1910 5.474 -5.952 -2.289 1.00 0.00 WT1 O ATOM 8555 H1 TIP3 1910 5.295 -5.081 -5.145 1.00 0.00 WT1 H ATOM 8556 H2 TIP3 1910 3.904 -7.068 6.518 1.00 0.00 WT1 H ATOM 8557 OH2 TIP3 1911 1.823 -0.871 3.631 1.00 0.00 WT1 O ATOM 8558 H1 TIP3 1911 14.709 8.104 20.419 1.00 0.00 WT1 H ATOM 8559 H2 TIP3 1911 -4.204 -11.716 2.063 1.00 0.00 WT1 H ATOM 8560 OH2 TIP3 1912 -1.015 -1.038 -2.552 1.00 0.00 WT1 O ATOM 8561 H1 TIP3 1912 -2.438 19.234 -5.645 1.00 0.00 WT1 H ATOM 8562 H2 TIP3 1912 24.712 4.721 0.538 1.00 0.00 WT1 H ATOM 8563 OH2 TIP3 1913 -4.892 1.497 6.268 1.00 0.00 WT1 O ATOM 8564 H1 TIP3 1913 -2.545 -8.179 -2.119 1.00 0.00 WT1 H ATOM 8565 H2 TIP3 1913 -4.611 -2.650 -2.813 1.00 0.00 WT1 H ATOM 8566 OH2 TIP3 1914 -2.215 -4.694 -0.351 1.00 0.00 WT1 O ATOM 8567 H1 TIP3 1914 22.541 -4.975 2.384 1.00 0.00 WT1 H ATOM 8568 H2 TIP3 1914 12.215 -12.842 1.266 1.00 0.00 WT1 H ATOM 8569 OH2 TIP3 1915 3.266 -5.759 1.065 1.00 0.00 WT1 O ATOM 8570 H1 TIP3 1915 3.945 -2.559 1.352 1.00 0.00 WT1 H ATOM 8571 H2 TIP3 1915 -4.696 -10.939 1.756 1.00 0.00 WT1 H ATOM 8572 OH2 TIP3 1916 5.295 -7.007 -1.568 1.00 0.00 WT1 O ATOM 8573 H1 TIP3 1916 -8.573 2.551 14.663 1.00 0.00 WT1 H ATOM 8574 H2 TIP3 1916 13.647 10.592 -12.390 1.00 0.00 WT1 H ATOM 8575 OH2 TIP3 1917 7.925 5.930 0.360 1.00 0.00 WT1 O ATOM 8576 H1 TIP3 1917 1.777 10.620 -5.520 1.00 0.00 WT1 H ATOM 8577 H2 TIP3 1917 11.570 3.969 12.410 1.00 0.00 WT1 H ATOM 8578 OH2 TIP3 1918 -1.546 -0.316 -3.227 1.00 0.00 WT1 O ATOM 8579 H1 TIP3 1918 -3.076 -5.480 16.544 1.00 0.00 WT1 H ATOM 8580 H2 TIP3 1918 2.924 23.246 -6.033 1.00 0.00 WT1 H ATOM 8581 OH2 TIP3 1919 -1.732 1.674 -8.199 1.00 0.00 WT1 O ATOM 8582 H1 TIP3 1919 9.842 -5.841 -6.166 1.00 0.00 WT1 H ATOM 8583 H2 TIP3 1919 4.241 -5.222 -12.188 1.00 0.00 WT1 H ATOM 8584 OH2 TIP3 1920 2.050 3.407 3.308 1.00 0.00 WT1 O ATOM 8585 H1 TIP3 1920 5.333 -3.097 19.162 1.00 0.00 WT1 H ATOM 8586 H2 TIP3 1920 -7.183 2.789 -12.021 1.00 0.00 WT1 H ATOM 8587 OH2 TIP3 1921 -0.716 0.338 -3.881 1.00 0.00 WT1 O ATOM 8588 H1 TIP3 1921 -3.372 13.170 0.209 1.00 0.00 WT1 H ATOM 8589 H2 TIP3 1921 -2.707 -9.402 9.193 1.00 0.00 WT1 H ATOM 8590 OH2 TIP3 1922 -0.541 -1.620 0.073 1.00 0.00 WT1 O ATOM 8591 H1 TIP3 1922 8.272 -6.882 1.867 1.00 0.00 WT1 H ATOM 8592 H2 TIP3 1922 12.558 2.941 -10.857 1.00 0.00 WT1 H ATOM 8593 OH2 TIP3 1923 -0.726 -4.479 0.748 1.00 0.00 WT1 O ATOM 8594 H1 TIP3 1923 -4.389 -3.160 -17.651 1.00 0.00 WT1 H ATOM 8595 H2 TIP3 1923 -20.116 -24.008 -4.554 1.00 0.00 WT1 H ATOM 8596 OH2 TIP3 1924 2.996 -3.903 -2.933 1.00 0.00 WT1 O ATOM 8597 H1 TIP3 1924 26.428 -0.254 -27.688 1.00 0.00 WT1 H ATOM 8598 H2 TIP3 1924 15.166 4.547 -4.548 1.00 0.00 WT1 H ATOM 8599 OH2 TIP3 1925 4.617 4.889 -2.334 1.00 0.00 WT1 O ATOM 8600 H1 TIP3 1925 -8.763 -3.812 5.630 1.00 0.00 WT1 H ATOM 8601 H2 TIP3 1925 9.192 7.410 -4.580 1.00 0.00 WT1 H ATOM 8602 OH2 TIP3 1926 2.961 -2.759 0.291 1.00 0.00 WT1 O ATOM 8603 H1 TIP3 1926 9.373 17.959 6.040 1.00 0.00 WT1 H ATOM 8604 H2 TIP3 1926 -0.136 -2.111 -2.153 1.00 0.00 WT1 H ATOM 8605 OH2 TIP3 1927 0.902 -2.034 3.424 1.00 0.00 WT1 O ATOM 8606 H1 TIP3 1927 -15.712 -3.769 -23.528 1.00 0.00 WT1 H ATOM 8607 H2 TIP3 1927 -4.679 -11.928 9.579 1.00 0.00 WT1 H ATOM 8608 OH2 TIP3 1928 -0.973 3.399 1.354 1.00 0.00 WT1 O ATOM 8609 H1 TIP3 1928 19.375 3.903 14.995 1.00 0.00 WT1 H ATOM 8610 H2 TIP3 1928 5.672 -11.398 -7.593 1.00 0.00 WT1 H ATOM 8611 OH2 TIP3 1929 -8.705 0.357 -3.903 1.00 0.00 WT1 O ATOM 8612 H1 TIP3 1929 -30.205 13.109 22.241 1.00 0.00 WT1 H ATOM 8613 H2 TIP3 1929 -35.085 2.089 12.798 1.00 0.00 WT1 H ATOM 8614 OH2 TIP3 1930 2.523 -0.605 -5.221 1.00 0.00 WT1 O ATOM 8615 H1 TIP3 1930 -8.566 17.106 2.972 1.00 0.00 WT1 H ATOM 8616 H2 TIP3 1930 0.344 -24.373 -15.063 1.00 0.00 WT1 H ATOM 8617 OH2 TIP3 1931 -1.332 -3.192 -1.511 1.00 0.00 WT1 O ATOM 8618 H1 TIP3 1931 -20.391 -0.884 25.807 1.00 0.00 WT1 H ATOM 8619 H2 TIP3 1931 0.811 22.413 -20.480 1.00 0.00 WT1 H ATOM 8620 OH2 TIP3 1932 1.784 5.271 0.193 1.00 0.00 WT1 O ATOM 8621 H1 TIP3 1932 11.345 2.623 -16.730 1.00 0.00 WT1 H ATOM 8622 H2 TIP3 1932 -1.000 1.758 -4.083 1.00 0.00 WT1 H ATOM 8623 OH2 TIP3 1934 -0.957 1.120 1.352 1.00 0.00 WT1 O ATOM 8624 H1 TIP3 1934 -3.104 9.117 -0.334 1.00 0.00 WT1 H ATOM 8625 H2 TIP3 1934 2.959 2.689 4.934 1.00 0.00 WT1 H ATOM 8626 OH2 TIP3 1935 -1.873 -1.520 -8.023 1.00 0.00 WT1 O ATOM 8627 H1 TIP3 1935 2.987 1.814 -5.167 1.00 0.00 WT1 H ATOM 8628 H2 TIP3 1935 2.399 10.787 -1.632 1.00 0.00 WT1 H ATOM 8629 OH2 TIP3 1936 3.806 5.578 3.010 1.00 0.00 WT1 O ATOM 8630 H1 TIP3 1936 10.760 15.880 -5.828 1.00 0.00 WT1 H ATOM 8631 H2 TIP3 1936 17.816 4.999 6.947 1.00 0.00 WT1 H ATOM 8632 OH2 TIP3 1937 0.653 -2.566 -0.226 1.00 0.00 WT1 O ATOM 8633 H1 TIP3 1937 -9.457 -6.531 -9.299 1.00 0.00 WT1 H ATOM 8634 H2 TIP3 1937 17.945 -1.092 15.517 1.00 0.00 WT1 H ATOM 8635 OH2 TIP3 1938 -5.136 1.898 -5.064 1.00 0.00 WT1 O ATOM 8636 H1 TIP3 1938 -0.813 15.611 2.704 1.00 0.00 WT1 H ATOM 8637 H2 TIP3 1938 -17.184 -4.385 -8.799 1.00 0.00 WT1 H ATOM 8638 OH2 TIP3 1939 2.070 -4.876 -8.528 1.00 0.00 WT1 O ATOM 8639 H1 TIP3 1939 -0.271 -2.803 -4.050 1.00 0.00 WT1 H ATOM 8640 H2 TIP3 1939 0.201 7.537 7.028 1.00 0.00 WT1 H ATOM 8641 OH2 TIP3 1940 -5.690 4.076 2.221 1.00 0.00 WT1 O ATOM 8642 H1 TIP3 1940 -14.357 -1.318 11.901 1.00 0.00 WT1 H ATOM 8643 H2 TIP3 1940 -6.229 7.336 1.551 1.00 0.00 WT1 H ATOM 8644 OH2 TIP3 1941 -3.280 2.023 -2.250 1.00 0.00 WT1 O ATOM 8645 H1 TIP3 1941 14.892 -18.729 -2.725 1.00 0.00 WT1 H ATOM 8646 H2 TIP3 1941 -1.250 -0.629 -2.465 1.00 0.00 WT1 H ATOM 8647 OH2 TIP3 1942 -6.137 2.712 0.746 1.00 0.00 WT1 O ATOM 8648 H1 TIP3 1942 -16.583 -11.460 24.582 1.00 0.00 WT1 H ATOM 8649 H2 TIP3 1942 1.342 20.193 17.963 1.00 0.00 WT1 H ATOM 8650 OH2 TIP3 1943 -2.386 -1.662 -2.297 1.00 0.00 WT1 O ATOM 8651 H1 TIP3 1943 -16.789 7.119 -1.834 1.00 0.00 WT1 H ATOM 8652 H2 TIP3 1943 -5.018 -0.952 -2.005 1.00 0.00 WT1 H ATOM 8653 OH2 TIP3 1944 5.376 -2.874 2.293 1.00 0.00 WT1 O ATOM 8654 H1 TIP3 1944 -23.498 26.800 -0.453 1.00 0.00 WT1 H ATOM 8655 H2 TIP3 1944 15.144 -9.387 -3.568 1.00 0.00 WT1 H ATOM 8656 OH2 TIP3 1945 -1.953 3.478 -3.168 1.00 0.00 WT1 O ATOM 8657 H1 TIP3 1945 25.140 -13.131 9.504 1.00 0.00 WT1 H ATOM 8658 H2 TIP3 1945 0.118 6.528 -5.508 1.00 0.00 WT1 H ATOM 8659 OH2 TIP3 1946 1.608 3.989 -0.349 1.00 0.00 WT1 O ATOM 8660 H1 TIP3 1946 12.231 7.118 2.035 1.00 0.00 WT1 H ATOM 8661 H2 TIP3 1946 -0.760 -9.434 -3.901 1.00 0.00 WT1 H ATOM 8662 OH2 TIP3 1947 -3.173 4.513 -3.537 1.00 0.00 WT1 O ATOM 8663 H1 TIP3 1947 -2.848 3.868 -7.518 1.00 0.00 WT1 H ATOM 8664 H2 TIP3 1947 -4.084 -4.979 -11.294 1.00 0.00 WT1 H ATOM 8665 OH2 TIP3 1948 7.029 1.092 4.828 1.00 0.00 WT1 O ATOM 8666 H1 TIP3 1948 -9.535 15.849 2.627 1.00 0.00 WT1 H ATOM 8667 H2 TIP3 1948 11.834 4.096 -3.854 1.00 0.00 WT1 H ATOM 8668 OH2 TIP3 1949 5.261 -2.307 3.237 1.00 0.00 WT1 O ATOM 8669 H1 TIP3 1949 1.604 -10.518 4.370 1.00 0.00 WT1 H ATOM 8670 H2 TIP3 1949 14.391 -1.928 8.817 1.00 0.00 WT1 H ATOM 8671 OH2 TIP3 1950 -6.075 2.423 -1.582 1.00 0.00 WT1 O ATOM 8672 H1 TIP3 1950 -3.045 -1.526 -3.262 1.00 0.00 WT1 H ATOM 8673 H2 TIP3 1950 -7.172 -1.809 -0.807 1.00 0.00 WT1 H ATOM 8674 OH2 TIP3 1951 -0.499 1.169 -9.009 1.00 0.00 WT1 O ATOM 8675 H1 TIP3 1951 13.327 15.462 12.151 1.00 0.00 WT1 H ATOM 8676 H2 TIP3 1951 11.270 -8.380 16.199 1.00 0.00 WT1 H ATOM 8677 OH2 TIP3 1952 5.363 -0.223 -2.473 1.00 0.00 WT1 O ATOM 8678 H1 TIP3 1952 -18.430 16.743 -8.215 1.00 0.00 WT1 H ATOM 8679 H2 TIP3 1952 -17.580 7.102 -35.866 1.00 0.00 WT1 H ATOM 8680 OH2 TIP3 1953 1.755 -3.548 2.820 1.00 0.00 WT1 O ATOM 8681 H1 TIP3 1953 -1.271 15.426 8.111 1.00 0.00 WT1 H ATOM 8682 H2 TIP3 1953 5.608 -6.582 12.839 1.00 0.00 WT1 H ATOM 8683 OH2 TIP3 1954 1.797 -4.765 1.665 1.00 0.00 WT1 O ATOM 8684 H1 TIP3 1954 -19.489 -2.593 -3.904 1.00 0.00 WT1 H ATOM 8685 H2 TIP3 1954 -11.732 12.359 18.945 1.00 0.00 WT1 H ATOM 8686 OH2 TIP3 1955 3.044 0.974 -2.806 1.00 0.00 WT1 O ATOM 8687 H1 TIP3 1955 -7.859 -1.662 -6.641 1.00 0.00 WT1 H ATOM 8688 H2 TIP3 1955 -2.089 -7.295 13.824 1.00 0.00 WT1 H ATOM 8689 OH2 TIP3 1956 3.653 0.137 -1.302 1.00 0.00 WT1 O ATOM 8690 H1 TIP3 1956 5.249 -3.912 -4.827 1.00 0.00 WT1 H ATOM 8691 H2 TIP3 1956 3.727 3.388 -1.033 1.00 0.00 WT1 H ATOM 8692 OH2 TIP3 1957 3.855 4.002 0.359 1.00 0.00 WT1 O ATOM 8693 H1 TIP3 1957 8.822 -13.052 5.929 1.00 0.00 WT1 H ATOM 8694 H2 TIP3 1957 -7.566 8.096 14.460 1.00 0.00 WT1 H ATOM 8695 OH2 TIP3 1958 0.494 -2.786 -3.471 1.00 0.00 WT1 O ATOM 8696 H1 TIP3 1958 0.490 -4.809 -2.932 1.00 0.00 WT1 H ATOM 8697 H2 TIP3 1958 4.172 3.522 -10.769 1.00 0.00 WT1 H ATOM 8698 OH2 TIP3 1959 1.138 -5.191 -2.596 1.00 0.00 WT1 O ATOM 8699 H1 TIP3 1959 -3.106 11.196 5.111 1.00 0.00 WT1 H ATOM 8700 H2 TIP3 1959 -4.119 -4.021 -18.457 1.00 0.00 WT1 H ATOM 8701 OH2 TIP3 1960 -2.020 -1.126 -0.589 1.00 0.00 WT1 O ATOM 8702 H1 TIP3 1960 -4.366 -17.833 0.990 1.00 0.00 WT1 H ATOM 8703 H2 TIP3 1960 0.524 1.998 9.655 1.00 0.00 WT1 H ATOM 8704 OH2 TIP3 1961 -7.071 -1.567 7.909 1.00 0.00 WT1 O ATOM 8705 H1 TIP3 1961 9.382 -5.926 9.918 1.00 0.00 WT1 H ATOM 8706 H2 TIP3 1961 16.824 -9.646 9.115 1.00 0.00 WT1 H ATOM 8707 OH2 TIP3 1962 -4.189 -1.063 -3.112 1.00 0.00 WT1 O ATOM 8708 H1 TIP3 1962 -2.662 2.994 -2.984 1.00 0.00 WT1 H ATOM 8709 H2 TIP3 1962 17.891 -6.162 4.210 1.00 0.00 WT1 H ATOM 8710 OH2 TIP3 1964 10.976 -2.598 -1.441 1.00 0.00 WT1 O ATOM 8711 H1 TIP3 1964 1.379 -6.738 19.470 1.00 0.00 WT1 H ATOM 8712 H2 TIP3 1964 11.175 0.829 -9.182 1.00 0.00 WT1 H ATOM 8713 OH2 TIP3 1965 -7.080 6.025 -6.471 1.00 0.00 WT1 O ATOM 8714 H1 TIP3 1965 -4.548 10.762 15.105 1.00 0.00 WT1 H ATOM 8715 H2 TIP3 1965 7.521 10.380 -10.623 1.00 0.00 WT1 H ATOM 8716 OH2 TIP3 1966 1.236 10.326 -3.453 1.00 0.00 WT1 O ATOM 8717 H1 TIP3 1966 4.896 -9.711 24.621 1.00 0.00 WT1 H ATOM 8718 H2 TIP3 1966 1.476 9.215 -1.513 1.00 0.00 WT1 H ATOM 8719 OH2 TIP3 1967 6.414 0.413 -5.539 1.00 0.00 WT1 O ATOM 8720 H1 TIP3 1967 -8.098 5.512 -11.277 1.00 0.00 WT1 H ATOM 8721 H2 TIP3 1967 -0.297 14.283 -16.183 1.00 0.00 WT1 H ATOM 8722 OH2 TIP3 1968 3.568 -0.949 0.994 1.00 0.00 WT1 O ATOM 8723 H1 TIP3 1968 -3.862 -5.178 -10.948 1.00 0.00 WT1 H ATOM 8724 H2 TIP3 1968 2.882 -0.541 -6.527 1.00 0.00 WT1 H ATOM 8725 OH2 TIP3 1969 2.604 4.027 -8.875 1.00 0.00 WT1 O ATOM 8726 H1 TIP3 1969 12.831 6.156 -19.803 1.00 0.00 WT1 H ATOM 8727 H2 TIP3 1969 -7.820 2.454 -5.156 1.00 0.00 WT1 H ATOM 8728 OH2 TIP3 1971 -4.211 8.208 1.083 1.00 0.00 WT1 O ATOM 8729 H1 TIP3 1971 8.052 9.855 6.078 1.00 0.00 WT1 H ATOM 8730 H2 TIP3 1971 -8.975 7.612 18.913 1.00 0.00 WT1 H ATOM 8731 OH2 TIP3 1973 3.019 2.442 1.889 1.00 0.00 WT1 O ATOM 8732 H1 TIP3 1973 2.368 4.657 2.513 1.00 0.00 WT1 H ATOM 8733 H2 TIP3 1973 2.053 4.906 2.965 1.00 0.00 WT1 H ATOM 8734 OH2 TIP3 1974 -5.921 -5.304 2.700 1.00 0.00 WT1 O ATOM 8735 H1 TIP3 1974 14.048 -7.898 -4.664 1.00 0.00 WT1 H ATOM 8736 H2 TIP3 1974 -11.775 4.269 -28.380 1.00 0.00 WT1 H ATOM 8737 OH2 TIP3 1975 -3.861 -2.664 5.604 1.00 0.00 WT1 O ATOM 8738 H1 TIP3 1975 -8.745 10.223 22.208 1.00 0.00 WT1 H ATOM 8739 H2 TIP3 1975 -8.075 -9.740 -3.208 1.00 0.00 WT1 H ATOM 8740 OH2 TIP3 1976 0.560 2.830 0.265 1.00 0.00 WT1 O ATOM 8741 H1 TIP3 1976 -11.384 14.037 -8.840 1.00 0.00 WT1 H ATOM 8742 H2 TIP3 1976 5.798 15.165 -16.913 1.00 0.00 WT1 H ATOM 8743 OH2 TIP3 1977 7.138 -1.226 -4.877 1.00 0.00 WT1 O ATOM 8744 H1 TIP3 1977 25.813 9.823 2.413 1.00 0.00 WT1 H ATOM 8745 H2 TIP3 1977 -12.067 4.849 -5.698 1.00 0.00 WT1 H ATOM 8746 OH2 TIP3 1978 1.597 0.193 0.619 1.00 0.00 WT1 O ATOM 8747 H1 TIP3 1978 -6.074 -4.496 -7.913 1.00 0.00 WT1 H ATOM 8748 H2 TIP3 1978 -11.283 -6.466 -15.233 1.00 0.00 WT1 H ATOM 8749 OH2 TIP3 1979 -3.470 0.613 0.100 1.00 0.00 WT1 O ATOM 8750 H1 TIP3 1979 -5.631 8.809 4.045 1.00 0.00 WT1 H ATOM 8751 H2 TIP3 1979 -22.277 -12.008 -3.583 1.00 0.00 WT1 H ATOM 8752 OH2 TIP3 1980 -0.116 -4.441 -4.211 1.00 0.00 WT1 O ATOM 8753 H1 TIP3 1980 -3.122 -12.317 24.010 1.00 0.00 WT1 H ATOM 8754 H2 TIP3 1980 14.189 8.316 6.032 1.00 0.00 WT1 H ATOM 8755 OH2 TIP3 1981 -7.536 -1.434 1.228 1.00 0.00 WT1 O ATOM 8756 H1 TIP3 1981 -14.979 4.408 -9.423 1.00 0.00 WT1 H ATOM 8757 H2 TIP3 1981 -12.762 -3.789 -2.077 1.00 0.00 WT1 H ATOM 8758 OH2 TIP3 1982 -5.857 2.570 -2.326 1.00 0.00 WT1 O ATOM 8759 H1 TIP3 1982 -24.952 0.164 -14.137 1.00 0.00 WT1 H ATOM 8760 H2 TIP3 1982 11.591 -19.897 -0.290 1.00 0.00 WT1 H ATOM 8761 OH2 TIP3 1983 -3.701 -2.656 -1.974 1.00 0.00 WT1 O ATOM 8762 H1 TIP3 1983 10.743 -15.745 -27.389 1.00 0.00 WT1 H ATOM 8763 H2 TIP3 1983 0.252 15.343 -6.883 1.00 0.00 WT1 H ATOM 8764 OH2 TIP3 1984 2.989 2.089 -3.716 1.00 0.00 WT1 O ATOM 8765 H1 TIP3 1984 -10.141 14.384 36.910 1.00 0.00 WT1 H ATOM 8766 H2 TIP3 1984 43.550 -9.547 9.453 1.00 0.00 WT1 H ATOM 8767 OH2 TIP3 1986 5.901 1.749 1.008 1.00 0.00 WT1 O ATOM 8768 H1 TIP3 1986 9.302 -4.052 -1.533 1.00 0.00 WT1 H ATOM 8769 H2 TIP3 1986 -5.416 17.467 -0.321 1.00 0.00 WT1 H ATOM 8770 OH2 TIP3 1987 -6.308 -1.821 4.161 1.00 0.00 WT1 O ATOM 8771 H1 TIP3 1987 1.000 -1.518 2.751 1.00 0.00 WT1 H ATOM 8772 H2 TIP3 1987 -13.566 -3.100 6.579 1.00 0.00 WT1 H ATOM 8773 OH2 TIP3 1989 -2.630 0.486 4.671 1.00 0.00 WT1 O ATOM 8774 H1 TIP3 1989 6.084 -4.999 5.066 1.00 0.00 WT1 H ATOM 8775 H2 TIP3 1989 11.855 -10.621 3.567 1.00 0.00 WT1 H ATOM 8776 OH2 TIP3 1990 -6.293 0.689 -3.798 1.00 0.00 WT1 O ATOM 8777 H1 TIP3 1990 -23.798 -17.842 6.805 1.00 0.00 WT1 H ATOM 8778 H2 TIP3 1990 -9.457 -0.375 1.024 1.00 0.00 WT1 H ATOM 8779 OH2 TIP3 1991 1.202 -1.558 1.883 1.00 0.00 WT1 O ATOM 8780 H1 TIP3 1991 -5.295 -8.679 31.372 1.00 0.00 WT1 H ATOM 8781 H2 TIP3 1991 -0.866 8.397 -4.560 1.00 0.00 WT1 H ATOM 8782 OH2 TIP3 1992 2.294 1.848 5.244 1.00 0.00 WT1 O ATOM 8783 H1 TIP3 1992 -3.721 -6.053 8.585 1.00 0.00 WT1 H ATOM 8784 H2 TIP3 1992 3.551 2.179 18.764 1.00 0.00 WT1 H ATOM 8785 OH2 TIP3 1993 1.132 -3.739 1.683 1.00 0.00 WT1 O ATOM 8786 H1 TIP3 1993 7.945 -6.064 13.723 1.00 0.00 WT1 H ATOM 8787 H2 TIP3 1993 12.464 1.455 -6.239 1.00 0.00 WT1 H ATOM 8788 OH2 TIP3 1994 2.994 7.883 -2.481 1.00 0.00 WT1 O ATOM 8789 H1 TIP3 1994 8.900 4.103 9.610 1.00 0.00 WT1 H ATOM 8790 H2 TIP3 1994 -0.064 7.406 -5.938 1.00 0.00 WT1 H ATOM 8791 OH2 TIP3 1995 -4.166 5.102 -2.846 1.00 0.00 WT1 O ATOM 8792 H1 TIP3 1995 -8.741 3.182 -1.634 1.00 0.00 WT1 H ATOM 8793 H2 TIP3 1995 6.662 6.072 13.714 1.00 0.00 WT1 H ATOM 8794 OH2 TIP3 1996 -5.360 -3.062 -2.533 1.00 0.00 WT1 O ATOM 8795 H1 TIP3 1996 -10.543 4.740 -8.543 1.00 0.00 WT1 H ATOM 8796 H2 TIP3 1996 1.604 4.121 11.941 1.00 0.00 WT1 H ATOM 8797 OH2 TIP3 1997 -2.036 4.017 5.902 1.00 0.00 WT1 O ATOM 8798 H1 TIP3 1997 2.644 3.898 5.082 1.00 0.00 WT1 H ATOM 8799 H2 TIP3 1997 2.300 -4.281 4.528 1.00 0.00 WT1 H ATOM 8800 OH2 TIP3 1998 3.013 1.618 1.826 1.00 0.00 WT1 O ATOM 8801 H1 TIP3 1998 1.719 -2.753 5.679 1.00 0.00 WT1 H ATOM 8802 H2 TIP3 1998 3.035 0.597 3.383 1.00 0.00 WT1 H ATOM 8803 OH2 TIP3 1999 -0.885 4.084 -13.121 1.00 0.00 WT1 O ATOM 8804 H1 TIP3 1999 -6.309 0.383 0.540 1.00 0.00 WT1 H ATOM 8805 H2 TIP3 1999 -3.479 1.705 -17.756 1.00 0.00 WT1 H ATOM 8806 OH2 TIP3 2000 0.410 -6.619 -1.972 1.00 0.00 WT1 O ATOM 8807 H1 TIP3 2000 -11.215 -9.725 8.060 1.00 0.00 WT1 H ATOM 8808 H2 TIP3 2000 -5.987 -8.811 -4.093 1.00 0.00 WT1 H ATOM 8809 OH2 TIP3 2001 2.362 -0.652 -2.938 1.00 0.00 WT1 O ATOM 8810 H1 TIP3 2001 17.913 9.288 -0.535 1.00 0.00 WT1 H ATOM 8811 H2 TIP3 2001 -21.971 5.359 -12.742 1.00 0.00 WT1 H ATOM 8812 OH2 TIP3 2002 1.498 -1.453 -1.803 1.00 0.00 WT1 O ATOM 8813 H1 TIP3 2002 -4.835 3.183 -14.636 1.00 0.00 WT1 H ATOM 8814 H2 TIP3 2002 6.296 6.311 1.643 1.00 0.00 WT1 H ATOM 8815 OH2 TIP3 2003 -3.083 -5.975 -7.024 1.00 0.00 WT1 O ATOM 8816 H1 TIP3 2003 -11.241 9.128 -12.136 1.00 0.00 WT1 H ATOM 8817 H2 TIP3 2003 -18.471 -12.586 -20.042 1.00 0.00 WT1 H ATOM 8818 OH2 TIP3 2004 5.210 -6.009 0.027 1.00 0.00 WT1 O ATOM 8819 H1 TIP3 2004 -2.531 -12.579 -16.905 1.00 0.00 WT1 H ATOM 8820 H2 TIP3 2004 -3.921 -1.171 1.135 1.00 0.00 WT1 H ATOM 8821 OH2 TIP3 2005 3.219 -2.550 4.689 1.00 0.00 WT1 O ATOM 8822 H1 TIP3 2005 -16.074 -11.071 13.200 1.00 0.00 WT1 H ATOM 8823 H2 TIP3 2005 -3.708 -20.588 3.798 1.00 0.00 WT1 H ATOM 8824 OH2 TIP3 2006 -1.562 2.860 -0.818 1.00 0.00 WT1 O ATOM 8825 H1 TIP3 2006 3.276 -13.856 15.428 1.00 0.00 WT1 H ATOM 8826 H2 TIP3 2006 -2.440 -21.674 17.359 1.00 0.00 WT1 H ATOM 8827 OH2 TIP3 2008 1.879 0.409 1.880 1.00 0.00 WT1 O ATOM 8828 H1 TIP3 2008 1.276 -5.074 -12.996 1.00 0.00 WT1 H ATOM 8829 H2 TIP3 2008 2.016 -4.075 -7.333 1.00 0.00 WT1 H ATOM 8830 OH2 TIP3 2010 1.628 4.219 2.316 1.00 0.00 WT1 O ATOM 8831 H1 TIP3 2010 -19.747 23.691 11.501 1.00 0.00 WT1 H ATOM 8832 H2 TIP3 2010 -3.594 -8.071 16.570 1.00 0.00 WT1 H ATOM 8833 OH2 TIP3 2013 -7.157 -2.924 6.754 1.00 0.00 WT1 O ATOM 8834 H1 TIP3 2013 -10.257 1.190 9.927 1.00 0.00 WT1 H ATOM 8835 H2 TIP3 2013 -11.935 -4.060 0.956 1.00 0.00 WT1 H ATOM 8836 OH2 TIP3 2014 -2.618 4.056 3.458 1.00 0.00 WT1 O ATOM 8837 H1 TIP3 2014 8.379 -3.211 8.667 1.00 0.00 WT1 H ATOM 8838 H2 TIP3 2014 -1.340 19.791 -2.568 1.00 0.00 WT1 H ATOM 8839 OH2 TIP3 2015 0.920 5.832 2.536 1.00 0.00 WT1 O ATOM 8840 H1 TIP3 2015 9.508 -0.900 1.247 1.00 0.00 WT1 H ATOM 8841 H2 TIP3 2015 6.704 3.322 1.938 1.00 0.00 WT1 H ATOM 8842 OH2 TIP3 2016 1.410 -5.377 4.383 1.00 0.00 WT1 O ATOM 8843 H1 TIP3 2016 6.271 -27.748 2.709 1.00 0.00 WT1 H ATOM 8844 H2 TIP3 2016 -19.491 -16.280 -0.801 1.00 0.00 WT1 H ATOM 8845 OH2 TIP3 2017 -0.483 -1.369 5.491 1.00 0.00 WT1 O ATOM 8846 H1 TIP3 2017 -4.703 -3.422 11.676 1.00 0.00 WT1 H ATOM 8847 H2 TIP3 2017 0.394 -0.046 12.444 1.00 0.00 WT1 H ATOM 8848 OH2 TIP3 2018 -0.336 0.089 -4.975 1.00 0.00 WT1 O ATOM 8849 H1 TIP3 2018 7.914 -3.163 -1.296 1.00 0.00 WT1 H ATOM 8850 H2 TIP3 2018 10.522 -11.932 -3.539 1.00 0.00 WT1 H ATOM 8851 OH2 TIP3 2019 0.239 2.166 0.187 1.00 0.00 WT1 O ATOM 8852 H1 TIP3 2019 -1.406 1.647 -3.637 1.00 0.00 WT1 H ATOM 8853 H2 TIP3 2019 2.643 4.390 12.078 1.00 0.00 WT1 H ATOM 8854 OH2 TIP3 2020 1.381 6.063 -1.268 1.00 0.00 WT1 O ATOM 8855 H1 TIP3 2020 -5.195 0.936 28.398 1.00 0.00 WT1 H ATOM 8856 H2 TIP3 2020 -8.476 14.603 26.327 1.00 0.00 WT1 H ATOM 8857 OH2 TIP3 2021 1.408 3.849 -1.772 1.00 0.00 WT1 O ATOM 8858 H1 TIP3 2021 11.927 15.219 -6.205 1.00 0.00 WT1 H ATOM 8859 H2 TIP3 2021 6.771 -4.360 1.698 1.00 0.00 WT1 H ATOM 8860 OH2 TIP3 2022 5.452 -7.558 4.664 1.00 0.00 WT1 O ATOM 8861 H1 TIP3 2022 22.096 -3.004 12.097 1.00 0.00 WT1 H ATOM 8862 H2 TIP3 2022 -5.584 -4.725 0.188 1.00 0.00 WT1 H ATOM 8863 OH2 TIP3 2023 3.401 -0.300 -2.305 1.00 0.00 WT1 O ATOM 8864 H1 TIP3 2023 -7.749 7.004 1.875 1.00 0.00 WT1 H ATOM 8865 H2 TIP3 2023 28.371 23.789 -26.335 1.00 0.00 WT1 H ATOM 8866 OH2 TIP3 2024 -6.008 1.389 2.578 1.00 0.00 WT1 O ATOM 8867 H1 TIP3 2024 5.140 13.599 0.158 1.00 0.00 WT1 H ATOM 8868 H2 TIP3 2024 -11.359 -3.344 0.955 1.00 0.00 WT1 H ATOM 8869 OH2 TIP3 2025 5.927 -1.648 1.633 1.00 0.00 WT1 O ATOM 8870 H1 TIP3 2025 12.557 -9.252 10.030 1.00 0.00 WT1 H ATOM 8871 H2 TIP3 2025 9.018 -2.127 3.560 1.00 0.00 WT1 H ATOM 8872 OH2 TIP3 2030 3.337 0.794 -2.163 1.00 0.00 WT1 O ATOM 8873 H1 TIP3 2030 -0.358 -2.389 -12.774 1.00 0.00 WT1 H ATOM 8874 H2 TIP3 2030 3.542 -0.701 -9.830 1.00 0.00 WT1 H ATOM 8875 OH2 TIP3 2032 4.050 -2.168 4.726 1.00 0.00 WT1 O ATOM 8876 H1 TIP3 2032 8.614 -8.844 8.339 1.00 0.00 WT1 H ATOM 8877 H2 TIP3 2032 -11.264 -11.757 -0.530 1.00 0.00 WT1 H ATOM 8878 OH2 TIP3 2033 -1.026 0.486 -4.436 1.00 0.00 WT1 O ATOM 8879 H1 TIP3 2033 8.805 -0.237 -12.028 1.00 0.00 WT1 H ATOM 8880 H2 TIP3 2033 6.836 0.221 -10.246 1.00 0.00 WT1 H ATOM 8881 OH2 TIP3 2035 -1.841 -1.361 8.977 1.00 0.00 WT1 O ATOM 8882 H1 TIP3 2035 -8.367 1.681 6.140 1.00 0.00 WT1 H ATOM 8883 H2 TIP3 2035 -8.155 -7.898 -7.048 1.00 0.00 WT1 H ATOM 8884 OH2 TIP3 2036 -2.259 2.102 -0.571 1.00 0.00 WT1 O ATOM 8885 H1 TIP3 2036 3.832 -2.067 11.088 1.00 0.00 WT1 H ATOM 8886 H2 TIP3 2036 -16.470 2.707 4.169 1.00 0.00 WT1 H ATOM 8887 OH2 TIP3 2037 -0.557 -4.424 0.121 1.00 0.00 WT1 O ATOM 8888 H1 TIP3 2037 -1.285 -14.906 10.721 1.00 0.00 WT1 H ATOM 8889 H2 TIP3 2037 -12.929 -5.923 -4.020 1.00 0.00 WT1 H ATOM 8890 OH2 TIP3 2038 0.005 0.733 3.047 1.00 0.00 WT1 O ATOM 8891 H1 TIP3 2038 1.108 -12.023 -6.268 1.00 0.00 WT1 H ATOM 8892 H2 TIP3 2038 -19.296 -11.887 -19.650 1.00 0.00 WT1 H ATOM 8893 OH2 TIP3 2040 2.112 -0.719 -1.624 1.00 0.00 WT1 O ATOM 8894 H1 TIP3 2040 16.950 8.924 0.097 1.00 0.00 WT1 H ATOM 8895 H2 TIP3 2040 -18.060 -10.407 -1.654 1.00 0.00 WT1 H ATOM 8896 OH2 TIP3 2041 -3.380 3.219 0.452 1.00 0.00 WT1 O ATOM 8897 H1 TIP3 2041 -0.896 2.336 -0.930 1.00 0.00 WT1 H ATOM 8898 H2 TIP3 2041 -5.444 6.414 7.547 1.00 0.00 WT1 H ATOM 8899 OH2 TIP3 2042 0.170 2.127 -4.191 1.00 0.00 WT1 O ATOM 8900 H1 TIP3 2042 1.186 7.483 -8.937 1.00 0.00 WT1 H ATOM 8901 H2 TIP3 2042 -8.183 -12.560 -3.059 1.00 0.00 WT1 H ATOM 8902 OH2 TIP3 2043 3.571 1.093 4.424 1.00 0.00 WT1 O ATOM 8903 H1 TIP3 2043 -0.540 -1.285 0.233 1.00 0.00 WT1 H ATOM 8904 H2 TIP3 2043 12.537 6.366 2.437 1.00 0.00 WT1 H ATOM 8905 OH2 TIP3 2044 -1.266 5.111 0.161 1.00 0.00 WT1 O ATOM 8906 H1 TIP3 2044 -0.998 15.501 -7.982 1.00 0.00 WT1 H ATOM 8907 H2 TIP3 2044 -1.192 -1.757 3.434 1.00 0.00 WT1 H ATOM 8908 OH2 TIP3 2045 -0.758 -2.035 2.711 1.00 0.00 WT1 O ATOM 8909 H1 TIP3 2045 5.415 -7.161 22.484 1.00 0.00 WT1 H ATOM 8910 H2 TIP3 2045 -4.347 -1.630 -0.681 1.00 0.00 WT1 H ATOM 8911 OH2 TIP3 2046 1.075 -0.368 -4.442 1.00 0.00 WT1 O ATOM 8912 H1 TIP3 2046 -10.270 2.429 -4.946 1.00 0.00 WT1 H ATOM 8913 H2 TIP3 2046 14.424 -10.470 -8.537 1.00 0.00 WT1 H ATOM 8914 OH2 TIP3 2047 -0.792 2.415 -6.037 1.00 0.00 WT1 O ATOM 8915 H1 TIP3 2047 -4.009 -9.758 -11.080 1.00 0.00 WT1 H ATOM 8916 H2 TIP3 2047 -2.100 -3.866 2.884 1.00 0.00 WT1 H ATOM 8917 OH2 TIP3 2049 -4.023 1.834 -4.026 1.00 0.00 WT1 O ATOM 8918 H1 TIP3 2049 -0.939 0.543 -3.262 1.00 0.00 WT1 H ATOM 8919 H2 TIP3 2049 24.518 -10.919 5.112 1.00 0.00 WT1 H ATOM 8920 OH2 TIP3 2051 -2.737 3.380 -6.006 1.00 0.00 WT1 O ATOM 8921 H1 TIP3 2051 -12.830 1.906 -0.532 1.00 0.00 WT1 H ATOM 8922 H2 TIP3 2051 -12.698 14.965 -8.355 1.00 0.00 WT1 H ATOM 8923 OH2 TIP3 2052 -1.407 -1.516 -4.040 1.00 0.00 WT1 O ATOM 8924 H1 TIP3 2052 4.136 -12.556 0.524 1.00 0.00 WT1 H ATOM 8925 H2 TIP3 2052 10.187 -9.454 -3.772 1.00 0.00 WT1 H ATOM 8926 OH2 TIP3 2053 2.068 -3.765 -4.794 1.00 0.00 WT1 O ATOM 8927 H1 TIP3 2053 -8.006 -0.621 3.169 1.00 0.00 WT1 H ATOM 8928 H2 TIP3 2053 -14.934 2.250 -2.755 1.00 0.00 WT1 H ATOM 8929 OH2 TIP3 2055 1.816 2.534 -0.368 1.00 0.00 WT1 O ATOM 8930 H1 TIP3 2055 0.623 -4.733 12.429 1.00 0.00 WT1 H ATOM 8931 H2 TIP3 2055 0.832 10.926 -15.419 1.00 0.00 WT1 H ATOM 8932 OH2 TIP3 2056 -1.203 -6.742 2.920 1.00 0.00 WT1 O ATOM 8933 H1 TIP3 2056 6.418 16.833 11.830 1.00 0.00 WT1 H ATOM 8934 H2 TIP3 2056 0.416 -1.998 -16.911 1.00 0.00 WT1 H ATOM 8935 OH2 TIP3 2057 2.386 2.488 0.225 1.00 0.00 WT1 O ATOM 8936 H1 TIP3 2057 2.269 -0.970 0.693 1.00 0.00 WT1 H ATOM 8937 H2 TIP3 2057 -17.151 -12.264 32.298 1.00 0.00 WT1 H ATOM 8938 OH2 TIP3 2058 3.052 5.060 7.427 1.00 0.00 WT1 O ATOM 8939 H1 TIP3 2058 10.585 8.330 10.514 1.00 0.00 WT1 H ATOM 8940 H2 TIP3 2058 9.571 -5.646 10.619 1.00 0.00 WT1 H ATOM 8941 OH2 TIP3 2059 -1.856 -6.002 0.107 1.00 0.00 WT1 O ATOM 8942 H1 TIP3 2059 -8.061 -0.444 9.366 1.00 0.00 WT1 H ATOM 8943 H2 TIP3 2059 -9.631 0.935 13.410 1.00 0.00 WT1 H ATOM 8944 OH2 TIP3 2060 -0.193 -6.352 3.239 1.00 0.00 WT1 O ATOM 8945 H1 TIP3 2060 1.438 10.946 -0.943 1.00 0.00 WT1 H ATOM 8946 H2 TIP3 2060 -1.975 -0.511 -6.377 1.00 0.00 WT1 H ATOM 8947 OH2 TIP3 2061 -3.481 1.964 8.653 1.00 0.00 WT1 O ATOM 8948 H1 TIP3 2061 -2.206 7.926 10.575 1.00 0.00 WT1 H ATOM 8949 H2 TIP3 2061 -0.289 -3.371 9.526 1.00 0.00 WT1 H ATOM 8950 OH2 TIP3 2062 8.318 2.848 4.400 1.00 0.00 WT1 O ATOM 8951 H1 TIP3 2062 14.284 2.967 -8.863 1.00 0.00 WT1 H ATOM 8952 H2 TIP3 2062 8.210 3.310 11.531 1.00 0.00 WT1 H ATOM 8953 OH2 TIP3 2063 2.858 -10.401 0.158 1.00 0.00 WT1 O ATOM 8954 H1 TIP3 2063 -0.999 -16.582 10.894 1.00 0.00 WT1 H ATOM 8955 H2 TIP3 2063 -6.188 -12.515 -7.152 1.00 0.00 WT1 H ATOM 8956 OH2 TIP3 2064 -4.048 0.527 2.929 1.00 0.00 WT1 O ATOM 8957 H1 TIP3 2064 -2.287 1.086 4.091 1.00 0.00 WT1 H ATOM 8958 H2 TIP3 2064 -2.348 1.664 6.652 1.00 0.00 WT1 H ATOM 8959 OH2 TIP3 2066 -3.965 0.496 -2.916 1.00 0.00 WT1 O ATOM 8960 H1 TIP3 2066 17.889 16.098 -10.698 1.00 0.00 WT1 H ATOM 8961 H2 TIP3 2066 -19.469 6.165 -18.101 1.00 0.00 WT1 H ATOM 8962 OH2 TIP3 2067 4.279 0.858 1.367 1.00 0.00 WT1 O ATOM 8963 H1 TIP3 2067 -8.204 0.975 -2.579 1.00 0.00 WT1 H ATOM 8964 H2 TIP3 2067 0.088 13.682 11.533 1.00 0.00 WT1 H ATOM 8965 OH2 TIP3 2068 1.076 -9.935 0.306 1.00 0.00 WT1 O ATOM 8966 H1 TIP3 2068 -16.999 0.446 -7.698 1.00 0.00 WT1 H ATOM 8967 H2 TIP3 2068 -19.321 11.347 -10.037 1.00 0.00 WT1 H ATOM 8968 OH2 TIP3 2069 4.171 -8.233 4.520 1.00 0.00 WT1 O ATOM 8969 H1 TIP3 2069 -2.867 11.464 -18.131 1.00 0.00 WT1 H ATOM 8970 H2 TIP3 2069 -4.160 7.587 -11.093 1.00 0.00 WT1 H ATOM 8971 OH2 TIP3 2070 0.287 -3.867 -2.003 1.00 0.00 WT1 O ATOM 8972 H1 TIP3 2070 -3.836 1.571 0.921 1.00 0.00 WT1 H ATOM 8973 H2 TIP3 2070 4.374 -3.955 -10.501 1.00 0.00 WT1 H ATOM 8974 OH2 TIP3 2071 3.887 -5.829 6.916 1.00 0.00 WT1 O ATOM 8975 H1 TIP3 2071 -6.192 -6.893 0.153 1.00 0.00 WT1 H ATOM 8976 H2 TIP3 2071 6.746 -5.152 5.552 1.00 0.00 WT1 H ATOM 8977 OH2 TIP3 2074 -3.123 -2.225 0.013 1.00 0.00 WT1 O ATOM 8978 H1 TIP3 2074 19.475 -7.153 -8.136 1.00 0.00 WT1 H ATOM 8979 H2 TIP3 2074 2.293 8.259 -3.783 1.00 0.00 WT1 H ATOM 8980 OH2 TIP3 2075 1.092 -2.276 3.586 1.00 0.00 WT1 O ATOM 8981 H1 TIP3 2075 25.226 0.932 7.104 1.00 0.00 WT1 H ATOM 8982 H2 TIP3 2075 -1.696 -4.588 -2.052 1.00 0.00 WT1 H ATOM 8983 OH2 TIP3 2076 6.423 2.603 2.808 1.00 0.00 WT1 O ATOM 8984 H1 TIP3 2076 15.325 -0.004 1.559 1.00 0.00 WT1 H ATOM 8985 H2 TIP3 2076 1.159 -10.497 7.418 1.00 0.00 WT1 H ATOM 8986 OH2 TIP3 2079 -1.381 1.523 -7.508 1.00 0.00 WT1 O ATOM 8987 H1 TIP3 2079 -8.161 7.158 21.278 1.00 0.00 WT1 H ATOM 8988 H2 TIP3 2079 -2.635 5.377 22.554 1.00 0.00 WT1 H ATOM 8989 OH2 TIP3 2080 -14.222 7.128 0.351 1.00 0.00 WT1 O ATOM 8990 H1 TIP3 2080 -6.080 2.164 11.222 1.00 0.00 WT1 H ATOM 8991 H2 TIP3 2080 -25.776 -0.409 2.088 1.00 0.00 WT1 H ATOM 8992 OH2 TIP3 2081 2.737 1.666 3.559 1.00 0.00 WT1 O ATOM 8993 H1 TIP3 2081 -3.290 4.257 15.606 1.00 0.00 WT1 H ATOM 8994 H2 TIP3 2081 6.855 -2.192 -2.757 1.00 0.00 WT1 H ATOM 8995 OH2 TIP3 2082 -2.349 -1.392 1.687 1.00 0.00 WT1 O ATOM 8996 H1 TIP3 2082 -6.221 -4.675 6.009 1.00 0.00 WT1 H ATOM 8997 H2 TIP3 2082 3.500 2.380 6.022 1.00 0.00 WT1 H ATOM 8998 OH2 TIP3 2083 3.033 2.015 -4.152 1.00 0.00 WT1 O ATOM 8999 H1 TIP3 2083 12.291 -0.639 -3.725 1.00 0.00 WT1 H ATOM 9000 H2 TIP3 2083 0.619 -1.173 1.639 1.00 0.00 WT1 H ATOM 9001 OH2 TIP3 2084 0.857 4.726 -3.293 1.00 0.00 WT1 O ATOM 9002 H1 TIP3 2084 22.873 -2.409 1.224 1.00 0.00 WT1 H ATOM 9003 H2 TIP3 2084 -19.160 -7.689 27.649 1.00 0.00 WT1 H ATOM 9004 OH2 TIP3 2086 1.122 -3.459 0.847 1.00 0.00 WT1 O ATOM 9005 H1 TIP3 2086 -0.432 7.303 -2.548 1.00 0.00 WT1 H ATOM 9006 H2 TIP3 2086 3.393 -16.232 5.260 1.00 0.00 WT1 H ATOM 9007 OH2 TIP3 2087 -0.793 0.388 -2.152 1.00 0.00 WT1 O ATOM 9008 H1 TIP3 2087 9.216 -1.059 -1.963 1.00 0.00 WT1 H ATOM 9009 H2 TIP3 2087 1.054 -13.480 -4.400 1.00 0.00 WT1 H ATOM 9010 OH2 TIP3 2088 -2.673 -2.719 5.784 1.00 0.00 WT1 O ATOM 9011 H1 TIP3 2088 0.235 -15.990 -2.817 1.00 0.00 WT1 H ATOM 9012 H2 TIP3 2088 -2.127 -9.815 -0.190 1.00 0.00 WT1 H ATOM 9013 OH2 TIP3 2089 3.672 -2.446 1.617 1.00 0.00 WT1 O ATOM 9014 H1 TIP3 2089 -5.827 8.551 -8.395 1.00 0.00 WT1 H ATOM 9015 H2 TIP3 2089 -29.251 -1.844 15.189 1.00 0.00 WT1 H ATOM 9016 OH2 TIP3 2090 -0.255 -1.826 9.339 1.00 0.00 WT1 O ATOM 9017 H1 TIP3 2090 12.597 4.608 20.540 1.00 0.00 WT1 H ATOM 9018 H2 TIP3 2090 -6.362 -23.069 -3.771 1.00 0.00 WT1 H ATOM 9019 OH2 TIP3 2091 5.305 2.485 -8.980 1.00 0.00 WT1 O ATOM 9020 H1 TIP3 2091 6.468 -4.588 -13.313 1.00 0.00 WT1 H ATOM 9021 H2 TIP3 2091 13.454 -12.126 7.787 1.00 0.00 WT1 H ATOM 9022 OH2 TIP3 2092 1.036 1.805 -3.283 1.00 0.00 WT1 O ATOM 9023 H1 TIP3 2092 5.053 -13.537 -23.459 1.00 0.00 WT1 H ATOM 9024 H2 TIP3 2092 4.974 18.381 -8.264 1.00 0.00 WT1 H ATOM 9025 OH2 TIP3 2093 -6.200 0.422 5.059 1.00 0.00 WT1 O ATOM 9026 H1 TIP3 2093 -16.681 14.813 10.154 1.00 0.00 WT1 H ATOM 9027 H2 TIP3 2093 -4.510 -13.777 -25.307 1.00 0.00 WT1 H ATOM 9028 OH2 TIP3 2094 -1.793 -1.630 0.016 1.00 0.00 WT1 O ATOM 9029 H1 TIP3 2094 2.068 6.312 6.553 1.00 0.00 WT1 H ATOM 9030 H2 TIP3 2094 12.713 5.056 10.086 1.00 0.00 WT1 H ATOM 9031 OH2 TIP3 2095 2.081 -4.640 -3.197 1.00 0.00 WT1 O ATOM 9032 H1 TIP3 2095 3.726 1.641 -2.919 1.00 0.00 WT1 H ATOM 9033 H2 TIP3 2095 3.495 -6.418 0.292 1.00 0.00 WT1 H ATOM 9034 OH2 TIP3 2096 -2.291 0.236 -1.790 1.00 0.00 WT1 O ATOM 9035 H1 TIP3 2096 -12.995 -8.258 -19.337 1.00 0.00 WT1 H ATOM 9036 H2 TIP3 2096 -3.076 -0.980 -20.027 1.00 0.00 WT1 H ATOM 9037 OH2 TIP3 2098 1.033 4.281 2.147 1.00 0.00 WT1 O ATOM 9038 H1 TIP3 2098 -1.584 -0.024 14.585 1.00 0.00 WT1 H ATOM 9039 H2 TIP3 2098 6.296 -1.916 20.568 1.00 0.00 WT1 H ATOM 9040 OH2 TIP3 2100 0.514 1.232 1.387 1.00 0.00 WT1 O ATOM 9041 H1 TIP3 2100 7.635 14.456 13.283 1.00 0.00 WT1 H ATOM 9042 H2 TIP3 2100 -7.940 15.887 15.346 1.00 0.00 WT1 H ATOM 9043 OH2 TIP3 2102 -0.229 -2.201 2.301 1.00 0.00 WT1 O ATOM 9044 H1 TIP3 2102 10.718 12.832 -7.929 1.00 0.00 WT1 H ATOM 9045 H2 TIP3 2102 14.554 -3.122 18.220 1.00 0.00 WT1 H ATOM 9046 OH2 TIP3 2103 -1.938 -2.875 4.738 1.00 0.00 WT1 O ATOM 9047 H1 TIP3 2103 8.567 -14.228 14.021 1.00 0.00 WT1 H ATOM 9048 H2 TIP3 2103 1.940 2.449 6.404 1.00 0.00 WT1 H ATOM 9049 OH2 TIP3 2104 3.417 -0.234 3.580 1.00 0.00 WT1 O ATOM 9050 H1 TIP3 2104 -1.020 10.175 28.590 1.00 0.00 WT1 H ATOM 9051 H2 TIP3 2104 -5.144 5.749 14.423 1.00 0.00 WT1 H ATOM 9052 OH2 TIP3 2105 -5.892 2.226 0.504 1.00 0.00 WT1 O ATOM 9053 H1 TIP3 2105 0.966 -9.523 1.868 1.00 0.00 WT1 H ATOM 9054 H2 TIP3 2105 -6.902 -13.197 -15.031 1.00 0.00 WT1 H ATOM 9055 OH2 TIP3 2106 -0.054 4.594 -1.087 1.00 0.00 WT1 O ATOM 9056 H1 TIP3 2106 -11.414 27.045 -3.039 1.00 0.00 WT1 H ATOM 9057 H2 TIP3 2106 -4.764 8.465 -2.464 1.00 0.00 WT1 H ATOM 9058 OH2 TIP3 2107 -3.616 0.919 -1.655 1.00 0.00 WT1 O ATOM 9059 H1 TIP3 2107 -1.527 6.033 -4.990 1.00 0.00 WT1 H ATOM 9060 H2 TIP3 2107 -5.093 -3.032 -7.738 1.00 0.00 WT1 H ATOM 9061 OH2 TIP3 2108 0.231 -0.159 10.725 1.00 0.00 WT1 O ATOM 9062 H1 TIP3 2108 4.072 7.408 13.842 1.00 0.00 WT1 H ATOM 9063 H2 TIP3 2108 -12.056 -8.526 -11.592 1.00 0.00 WT1 H ATOM 9064 OH2 TIP3 2109 -5.278 0.577 -6.942 1.00 0.00 WT1 O ATOM 9065 H1 TIP3 2109 -8.803 -10.392 5.189 1.00 0.00 WT1 H ATOM 9066 H2 TIP3 2109 -28.023 -10.409 -13.632 1.00 0.00 WT1 H ATOM 9067 OH2 TIP3 2110 2.629 0.951 -3.327 1.00 0.00 WT1 O ATOM 9068 H1 TIP3 2110 21.106 -5.285 -14.983 1.00 0.00 WT1 H ATOM 9069 H2 TIP3 2110 -11.562 5.660 5.932 1.00 0.00 WT1 H ATOM 9070 OH2 TIP3 2112 2.109 6.019 1.733 1.00 0.00 WT1 O ATOM 9071 H1 TIP3 2112 -1.470 23.205 -8.144 1.00 0.00 WT1 H ATOM 9072 H2 TIP3 2112 -1.760 4.721 26.624 1.00 0.00 WT1 H ATOM 9073 OH2 TIP3 2113 5.572 4.739 -2.996 1.00 0.00 WT1 O ATOM 9074 H1 TIP3 2113 -12.731 -15.064 -7.985 1.00 0.00 WT1 H ATOM 9075 H2 TIP3 2113 -12.838 13.247 -8.046 1.00 0.00 WT1 H ATOM 9076 OH2 TIP3 2114 9.347 -3.614 2.486 1.00 0.00 WT1 O ATOM 9077 H1 TIP3 2114 -24.834 -3.254 24.772 1.00 0.00 WT1 H ATOM 9078 H2 TIP3 2114 -2.617 0.292 10.273 1.00 0.00 WT1 H ATOM 9079 OH2 TIP3 2115 -6.023 2.786 -4.250 1.00 0.00 WT1 O ATOM 9080 H1 TIP3 2115 -13.278 3.504 -7.873 1.00 0.00 WT1 H ATOM 9081 H2 TIP3 2115 -3.843 5.574 0.813 1.00 0.00 WT1 H ATOM 9082 OH2 TIP3 2116 1.696 4.974 5.691 1.00 0.00 WT1 O ATOM 9083 H1 TIP3 2116 -26.749 8.045 26.497 1.00 0.00 WT1 H ATOM 9084 H2 TIP3 2116 14.599 -18.459 -2.467 1.00 0.00 WT1 H ATOM 9085 OH2 TIP3 2117 2.722 -1.751 2.910 1.00 0.00 WT1 O ATOM 9086 H1 TIP3 2117 6.464 11.003 -3.105 1.00 0.00 WT1 H ATOM 9087 H2 TIP3 2117 11.460 -13.839 -0.033 1.00 0.00 WT1 H ATOM 9088 OH2 TIP3 2118 -3.853 -1.576 -5.704 1.00 0.00 WT1 O ATOM 9089 H1 TIP3 2118 3.898 1.275 -18.504 1.00 0.00 WT1 H ATOM 9090 H2 TIP3 2118 -2.338 -17.741 -4.320 1.00 0.00 WT1 H ATOM 9091 OH2 TIP3 2119 -6.805 0.784 -8.091 1.00 0.00 WT1 O ATOM 9092 H1 TIP3 2119 -11.910 -6.845 3.847 1.00 0.00 WT1 H ATOM 9093 H2 TIP3 2119 2.967 -2.110 -4.827 1.00 0.00 WT1 H ATOM 9094 OH2 TIP3 2120 -8.677 5.033 1.300 1.00 0.00 WT1 O ATOM 9095 H1 TIP3 2120 -13.273 -0.706 -3.987 1.00 0.00 WT1 H ATOM 9096 H2 TIP3 2120 -13.670 -0.208 -3.443 1.00 0.00 WT1 H ATOM 9097 OH2 TIP3 2121 4.937 -1.193 -0.087 1.00 0.00 WT1 O ATOM 9098 H1 TIP3 2121 20.333 0.294 -1.423 1.00 0.00 WT1 H ATOM 9099 H2 TIP3 2121 -5.658 7.056 -4.625 1.00 0.00 WT1 H ATOM 9100 OH2 TIP3 2122 -2.969 0.791 7.301 1.00 0.00 WT1 O ATOM 9101 H1 TIP3 2122 15.244 -26.091 -9.687 1.00 0.00 WT1 H ATOM 9102 H2 TIP3 2122 10.700 -14.769 0.382 1.00 0.00 WT1 H ATOM 9103 OH2 TIP3 2123 -2.941 1.562 -8.588 1.00 0.00 WT1 O ATOM 9104 H1 TIP3 2123 -0.362 -26.654 -11.406 1.00 0.00 WT1 H ATOM 9105 H2 TIP3 2123 -6.185 -25.164 -15.405 1.00 0.00 WT1 H ATOM 9106 OH2 TIP3 2124 6.582 -0.481 1.257 1.00 0.00 WT1 O ATOM 9107 H1 TIP3 2124 14.183 -3.274 15.921 1.00 0.00 WT1 H ATOM 9108 H2 TIP3 2124 2.808 1.945 -7.181 1.00 0.00 WT1 H ATOM 9109 OH2 TIP3 2125 1.814 -2.669 -2.130 1.00 0.00 WT1 O ATOM 9110 H1 TIP3 2125 -16.647 -7.077 2.438 1.00 0.00 WT1 H ATOM 9111 H2 TIP3 2125 16.784 -4.430 -13.684 1.00 0.00 WT1 H ATOM 9112 OH2 TIP3 2126 -2.829 3.468 -1.055 1.00 0.00 WT1 O ATOM 9113 H1 TIP3 2126 -25.471 42.270 -2.503 1.00 0.00 WT1 H ATOM 9114 H2 TIP3 2126 1.543 -10.602 0.187 1.00 0.00 WT1 H ATOM 9115 OH2 TIP3 2127 4.423 2.557 0.272 1.00 0.00 WT1 O ATOM 9116 H1 TIP3 2127 16.758 11.038 -9.846 1.00 0.00 WT1 H ATOM 9117 H2 TIP3 2127 2.280 -9.220 9.749 1.00 0.00 WT1 H ATOM 9118 OH2 TIP3 2128 -1.152 0.889 3.013 1.00 0.00 WT1 O ATOM 9119 H1 TIP3 2128 -26.204 -1.387 7.399 1.00 0.00 WT1 H ATOM 9120 H2 TIP3 2128 -9.512 14.461 15.324 1.00 0.00 WT1 H ATOM 9121 OH2 TIP3 2129 5.084 -0.267 0.745 1.00 0.00 WT1 O ATOM 9122 H1 TIP3 2129 9.283 5.111 -4.073 1.00 0.00 WT1 H ATOM 9123 H2 TIP3 2129 16.120 18.750 -12.787 1.00 0.00 WT1 H ATOM 9124 OH2 TIP3 2130 3.595 -1.481 0.207 1.00 0.00 WT1 O ATOM 9125 H1 TIP3 2130 2.140 6.933 -16.262 1.00 0.00 WT1 H ATOM 9126 H2 TIP3 2130 11.835 -12.071 -10.881 1.00 0.00 WT1 H ATOM 9127 OH2 TIP3 2131 -1.158 10.974 -1.919 1.00 0.00 WT1 O ATOM 9128 H1 TIP3 2131 -1.496 12.367 -3.947 1.00 0.00 WT1 H ATOM 9129 H2 TIP3 2131 0.737 11.925 -1.516 1.00 0.00 WT1 H ATOM 9130 OH2 TIP3 2132 -1.424 -2.315 1.217 1.00 0.00 WT1 O ATOM 9131 H1 TIP3 2132 6.218 16.631 12.877 1.00 0.00 WT1 H ATOM 9132 H2 TIP3 2132 -11.936 1.074 -21.178 1.00 0.00 WT1 H ATOM 9133 OH2 TIP3 2133 -2.750 3.210 -6.076 1.00 0.00 WT1 O ATOM 9134 H1 TIP3 2133 12.630 0.057 27.038 1.00 0.00 WT1 H ATOM 9135 H2 TIP3 2133 12.948 6.904 7.973 1.00 0.00 WT1 H ATOM 9136 OH2 TIP3 2134 -5.013 -0.830 -3.776 1.00 0.00 WT1 O ATOM 9137 H1 TIP3 2134 10.579 8.434 11.564 1.00 0.00 WT1 H ATOM 9138 H2 TIP3 2134 6.550 -15.957 -15.431 1.00 0.00 WT1 H ATOM 9139 OH2 TIP3 2135 1.026 -7.166 4.196 1.00 0.00 WT1 O ATOM 9140 H1 TIP3 2135 -2.368 12.770 5.056 1.00 0.00 WT1 H ATOM 9141 H2 TIP3 2135 -6.934 -9.867 -15.035 1.00 0.00 WT1 H ATOM 9142 OH2 TIP3 2136 -1.692 -0.046 1.160 1.00 0.00 WT1 O ATOM 9143 H1 TIP3 2136 -6.996 -9.752 4.153 1.00 0.00 WT1 H ATOM 9144 H2 TIP3 2136 1.910 4.271 -1.850 1.00 0.00 WT1 H ATOM 9145 OH2 TIP3 2137 1.258 1.709 -7.030 1.00 0.00 WT1 O ATOM 9146 H1 TIP3 2137 27.039 -17.882 34.779 1.00 0.00 WT1 H ATOM 9147 H2 TIP3 2137 14.290 -49.145 8.758 1.00 0.00 WT1 H ATOM 9148 OH2 TIP3 2138 -6.664 4.600 -6.366 1.00 0.00 WT1 O ATOM 9149 H1 TIP3 2138 -9.812 1.889 -8.334 1.00 0.00 WT1 H ATOM 9150 H2 TIP3 2138 -19.285 6.754 -7.498 1.00 0.00 WT1 H ATOM 9151 OH2 TIP3 2139 2.634 2.337 -3.708 1.00 0.00 WT1 O ATOM 9152 H1 TIP3 2139 -8.597 -4.531 -21.465 1.00 0.00 WT1 H ATOM 9153 H2 TIP3 2139 7.835 4.533 0.607 1.00 0.00 WT1 H ATOM 9154 OH2 TIP3 2140 -1.796 7.852 5.253 1.00 0.00 WT1 O ATOM 9155 H1 TIP3 2140 -1.818 13.423 -1.226 1.00 0.00 WT1 H ATOM 9156 H2 TIP3 2140 -3.926 11.002 3.360 1.00 0.00 WT1 H ATOM 9157 OH2 TIP3 2141 -1.522 5.939 2.248 1.00 0.00 WT1 O ATOM 9158 H1 TIP3 2141 4.644 14.205 8.469 1.00 0.00 WT1 H ATOM 9159 H2 TIP3 2141 9.259 2.543 25.507 1.00 0.00 WT1 H ATOM 9160 OH2 TIP3 2143 -3.794 3.825 -7.053 1.00 0.00 WT1 O ATOM 9161 H1 TIP3 2143 -5.725 9.054 4.046 1.00 0.00 WT1 H ATOM 9162 H2 TIP3 2143 -8.322 -9.497 -15.326 1.00 0.00 WT1 H ATOM 9163 OH2 TIP3 2144 -8.678 4.804 8.210 1.00 0.00 WT1 O ATOM 9164 H1 TIP3 2144 -6.913 13.742 11.135 1.00 0.00 WT1 H ATOM 9165 H2 TIP3 2144 -10.297 5.754 0.443 1.00 0.00 WT1 H ATOM 9166 OH2 TIP3 2145 -7.800 4.978 -3.694 1.00 0.00 WT1 O ATOM 9167 H1 TIP3 2145 -22.422 6.906 0.891 1.00 0.00 WT1 H ATOM 9168 H2 TIP3 2145 5.681 7.863 -0.488 1.00 0.00 WT1 H ATOM 9169 OH2 TIP3 2146 -2.507 -4.632 -3.113 1.00 0.00 WT1 O ATOM 9170 H1 TIP3 2146 0.149 -5.703 -36.963 1.00 0.00 WT1 H ATOM 9171 H2 TIP3 2146 -5.880 1.132 -6.934 1.00 0.00 WT1 H ATOM 9172 OH2 TIP3 2147 0.477 -8.410 -2.081 1.00 0.00 WT1 O ATOM 9173 H1 TIP3 2147 -4.045 13.860 19.168 1.00 0.00 WT1 H ATOM 9174 H2 TIP3 2147 0.908 -7.435 -4.285 1.00 0.00 WT1 H ATOM 9175 OH2 TIP3 2148 -6.050 1.931 0.167 1.00 0.00 WT1 O ATOM 9176 H1 TIP3 2148 12.917 15.808 -6.650 1.00 0.00 WT1 H ATOM 9177 H2 TIP3 2148 -3.811 -2.406 18.716 1.00 0.00 WT1 H ATOM 9178 OH2 TIP3 2149 -0.821 7.123 0.140 1.00 0.00 WT1 O ATOM 9179 H1 TIP3 2149 -7.009 -8.453 9.860 1.00 0.00 WT1 H ATOM 9180 H2 TIP3 2149 -2.933 4.652 -1.770 1.00 0.00 WT1 H ATOM 9181 OH2 TIP3 2150 14.816 -2.182 -2.385 1.00 0.00 WT1 O ATOM 9182 H1 TIP3 2150 -14.109 4.955 5.276 1.00 0.00 WT1 H ATOM 9183 H2 TIP3 2150 6.513 -23.402 -26.781 1.00 0.00 WT1 H ATOM 9184 OH2 TIP3 2151 3.324 -4.224 -4.122 1.00 0.00 WT1 O ATOM 9185 H1 TIP3 2151 -6.153 -8.771 -16.853 1.00 0.00 WT1 H ATOM 9186 H2 TIP3 2151 -3.269 -7.151 -19.080 1.00 0.00 WT1 H ATOM 9187 OH2 TIP3 2152 -0.511 -2.335 0.144 1.00 0.00 WT1 O ATOM 9188 H1 TIP3 2152 -16.814 4.130 5.181 1.00 0.00 WT1 H ATOM 9189 H2 TIP3 2152 0.733 -11.771 12.163 1.00 0.00 WT1 H ATOM 9190 OH2 TIP3 2153 -1.516 2.619 -6.666 1.00 0.00 WT1 O ATOM 9191 H1 TIP3 2153 8.079 14.133 -20.739 1.00 0.00 WT1 H ATOM 9192 H2 TIP3 2153 -12.249 -8.135 23.586 1.00 0.00 WT1 H ATOM 9193 OH2 TIP3 2154 1.366 -1.912 5.338 1.00 0.00 WT1 O ATOM 9194 H1 TIP3 2154 19.078 -8.278 -0.596 1.00 0.00 WT1 H ATOM 9195 H2 TIP3 2154 2.273 13.754 -0.398 1.00 0.00 WT1 H ATOM 9196 OH2 TIP3 2155 -0.702 1.219 4.721 1.00 0.00 WT1 O ATOM 9197 H1 TIP3 2155 -39.276 13.122 -18.860 1.00 0.00 WT1 H ATOM 9198 H2 TIP3 2155 31.741 9.960 4.511 1.00 0.00 WT1 H ATOM 9199 OH2 TIP3 2156 1.518 3.170 1.862 1.00 0.00 WT1 O ATOM 9200 H1 TIP3 2156 -1.253 -1.286 -18.380 1.00 0.00 WT1 H ATOM 9201 H2 TIP3 2156 4.704 -2.039 29.485 1.00 0.00 WT1 H ATOM 9202 OH2 TIP3 2157 0.142 -4.962 -3.203 1.00 0.00 WT1 O ATOM 9203 H1 TIP3 2157 1.256 26.137 -6.686 1.00 0.00 WT1 H ATOM 9204 H2 TIP3 2157 15.044 -0.515 -5.690 1.00 0.00 WT1 H ATOM 9205 OH2 TIP3 2158 3.802 3.865 3.208 1.00 0.00 WT1 O ATOM 9206 H1 TIP3 2158 2.462 14.323 -4.943 1.00 0.00 WT1 H ATOM 9207 H2 TIP3 2158 10.242 -20.767 15.571 1.00 0.00 WT1 H ATOM 9208 OH2 TIP3 2160 1.046 -4.284 -1.882 1.00 0.00 WT1 O ATOM 9209 H1 TIP3 2160 10.751 -3.984 6.699 1.00 0.00 WT1 H ATOM 9210 H2 TIP3 2160 -24.362 12.407 -1.235 1.00 0.00 WT1 H ATOM 9211 OH2 TIP3 2161 -0.450 7.066 1.199 1.00 0.00 WT1 O ATOM 9212 H1 TIP3 2161 3.902 14.260 1.209 1.00 0.00 WT1 H ATOM 9213 H2 TIP3 2161 -9.316 0.356 -4.892 1.00 0.00 WT1 H ATOM 9214 OH2 TIP3 2162 -2.804 -3.364 1.002 1.00 0.00 WT1 O ATOM 9215 H1 TIP3 2162 9.803 6.460 4.758 1.00 0.00 WT1 H ATOM 9216 H2 TIP3 2162 12.072 8.247 9.112 1.00 0.00 WT1 H ATOM 9217 OH2 TIP3 2163 -6.332 -3.783 0.757 1.00 0.00 WT1 O ATOM 9218 H1 TIP3 2163 -13.978 28.184 30.396 1.00 0.00 WT1 H ATOM 9219 H2 TIP3 2163 -33.006 -6.386 -9.504 1.00 0.00 WT1 H ATOM 9220 OH2 TIP3 2165 0.965 1.656 -1.054 1.00 0.00 WT1 O ATOM 9221 H1 TIP3 2165 9.095 -4.089 -9.292 1.00 0.00 WT1 H ATOM 9222 H2 TIP3 2165 -9.428 -4.814 -21.194 1.00 0.00 WT1 H ATOM 9223 OH2 TIP3 2166 -1.496 1.141 -1.373 1.00 0.00 WT1 O ATOM 9224 H1 TIP3 2166 4.545 -3.694 -3.226 1.00 0.00 WT1 H ATOM 9225 H2 TIP3 2166 8.023 -3.445 -16.801 1.00 0.00 WT1 H ATOM 9226 OH2 TIP3 2167 -5.927 1.656 -0.141 1.00 0.00 WT1 O ATOM 9227 H1 TIP3 2167 -8.148 -11.215 4.473 1.00 0.00 WT1 H ATOM 9228 H2 TIP3 2167 -6.627 -4.779 7.191 1.00 0.00 WT1 H ATOM 9229 OH2 TIP3 2168 -0.755 3.160 -2.995 1.00 0.00 WT1 O ATOM 9230 H1 TIP3 2168 23.729 4.083 -8.686 1.00 0.00 WT1 H ATOM 9231 H2 TIP3 2168 -19.875 -6.635 11.848 1.00 0.00 WT1 H ATOM 9232 OH2 TIP3 2169 -5.258 -1.614 0.008 1.00 0.00 WT1 O ATOM 9233 H1 TIP3 2169 0.205 14.585 19.193 1.00 0.00 WT1 H ATOM 9234 H2 TIP3 2169 -5.738 -14.213 -11.766 1.00 0.00 WT1 H ATOM 9235 OH2 TIP3 2170 1.990 -4.286 0.546 1.00 0.00 WT1 O ATOM 9236 H1 TIP3 2170 -3.062 10.255 11.450 1.00 0.00 WT1 H ATOM 9237 H2 TIP3 2170 -10.689 6.114 15.175 1.00 0.00 WT1 H ATOM 9238 OH2 TIP3 2171 -1.998 -0.137 0.417 1.00 0.00 WT1 O ATOM 9239 H1 TIP3 2171 -6.122 4.966 -20.580 1.00 0.00 WT1 H ATOM 9240 H2 TIP3 2171 7.866 -10.609 8.254 1.00 0.00 WT1 H ATOM 9241 OH2 TIP3 2172 -3.745 1.662 9.591 1.00 0.00 WT1 O ATOM 9242 H1 TIP3 2172 0.490 -5.220 5.165 1.00 0.00 WT1 H ATOM 9243 H2 TIP3 2172 -5.084 9.317 -18.170 1.00 0.00 WT1 H ATOM 9244 OH2 TIP3 2173 -2.983 -1.359 -8.490 1.00 0.00 WT1 O ATOM 9245 H1 TIP3 2173 -7.912 3.489 -7.262 1.00 0.00 WT1 H ATOM 9246 H2 TIP3 2173 -9.606 -9.284 -2.333 1.00 0.00 WT1 H ATOM 9247 OH2 TIP3 2176 -5.152 -0.926 -4.320 1.00 0.00 WT1 O ATOM 9248 H1 TIP3 2176 13.185 -15.477 5.266 1.00 0.00 WT1 H ATOM 9249 H2 TIP3 2176 -13.784 7.686 -8.932 1.00 0.00 WT1 H ATOM 9250 OH2 TIP3 2177 2.973 1.723 4.158 1.00 0.00 WT1 O ATOM 9251 H1 TIP3 2177 -17.591 -4.680 7.544 1.00 0.00 WT1 H ATOM 9252 H2 TIP3 2177 -2.618 24.129 9.468 1.00 0.00 WT1 H ATOM 9253 OH2 TIP3 2178 -10.860 -8.690 -5.878 1.00 0.00 WT1 O ATOM 9254 H1 TIP3 2178 -10.004 2.687 6.257 1.00 0.00 WT1 H ATOM 9255 H2 TIP3 2178 6.725 14.404 8.373 1.00 0.00 WT1 H ATOM 9256 OH2 TIP3 2180 -9.245 -4.190 -1.718 1.00 0.00 WT1 O ATOM 9257 H1 TIP3 2180 -9.792 2.901 -0.714 1.00 0.00 WT1 H ATOM 9258 H2 TIP3 2180 17.316 -1.307 -4.313 1.00 0.00 WT1 H ATOM 9259 OH2 TIP3 2181 -1.363 0.515 -1.245 1.00 0.00 WT1 O ATOM 9260 H1 TIP3 2181 -1.061 3.093 -3.792 1.00 0.00 WT1 H ATOM 9261 H2 TIP3 2181 7.741 11.108 29.555 1.00 0.00 WT1 H ATOM 9262 OH2 TIP3 2182 -0.729 -2.063 1.538 1.00 0.00 WT1 O ATOM 9263 H1 TIP3 2182 -14.305 8.056 -5.074 1.00 0.00 WT1 H ATOM 9264 H2 TIP3 2182 -6.804 2.276 -1.811 1.00 0.00 WT1 H ATOM 9265 OH2 TIP3 2183 4.078 -3.781 0.561 1.00 0.00 WT1 O ATOM 9266 H1 TIP3 2183 3.507 -3.938 0.365 1.00 0.00 WT1 H ATOM 9267 H2 TIP3 2183 3.164 -3.527 0.134 1.00 0.00 WT1 H ATOM 9268 OH2 TIP3 2184 -0.553 0.406 1.696 1.00 0.00 WT1 O ATOM 9269 H1 TIP3 2184 -7.519 11.619 -15.100 1.00 0.00 WT1 H ATOM 9270 H2 TIP3 2184 3.559 -2.106 2.483 1.00 0.00 WT1 H ATOM 9271 OH2 TIP3 2185 -0.599 6.050 -5.549 1.00 0.00 WT1 O ATOM 9272 H1 TIP3 2185 -10.181 10.367 7.462 1.00 0.00 WT1 H ATOM 9273 H2 TIP3 2185 18.162 -7.368 -31.759 1.00 0.00 WT1 H ATOM 9274 OH2 TIP3 2186 -0.108 1.140 -2.679 1.00 0.00 WT1 O ATOM 9275 H1 TIP3 2186 -0.110 -9.107 0.947 1.00 0.00 WT1 H ATOM 9276 H2 TIP3 2186 1.350 2.216 -1.500 1.00 0.00 WT1 H ATOM 9277 OH2 TIP3 2187 0.448 -0.670 3.273 1.00 0.00 WT1 O ATOM 9278 H1 TIP3 2187 8.662 12.290 -14.131 1.00 0.00 WT1 H ATOM 9279 H2 TIP3 2187 -21.953 14.202 -9.869 1.00 0.00 WT1 H ATOM 9280 OH2 TIP3 2188 2.944 2.305 -6.740 1.00 0.00 WT1 O ATOM 9281 H1 TIP3 2188 -17.832 -3.538 -11.411 1.00 0.00 WT1 H ATOM 9282 H2 TIP3 2188 2.304 3.875 15.207 1.00 0.00 WT1 H ATOM 9283 OH2 TIP3 2189 1.517 2.595 6.308 1.00 0.00 WT1 O ATOM 9284 H1 TIP3 2189 -9.373 4.793 -3.789 1.00 0.00 WT1 H ATOM 9285 H2 TIP3 2189 6.963 0.176 2.530 1.00 0.00 WT1 H ATOM 9286 OH2 TIP3 2190 3.449 -4.743 -0.445 1.00 0.00 WT1 O ATOM 9287 H1 TIP3 2190 -0.472 1.983 -10.152 1.00 0.00 WT1 H ATOM 9288 H2 TIP3 2190 2.650 -4.996 0.323 1.00 0.00 WT1 H ATOM 9289 OH2 TIP3 2191 -0.818 3.321 5.486 1.00 0.00 WT1 O ATOM 9290 H1 TIP3 2191 -10.185 -15.125 0.555 1.00 0.00 WT1 H ATOM 9291 H2 TIP3 2191 -24.664 -10.273 -4.595 1.00 0.00 WT1 H ATOM 9292 OH2 TIP3 2192 -3.218 -3.687 -0.912 1.00 0.00 WT1 O ATOM 9293 H1 TIP3 2192 15.690 -16.548 11.889 1.00 0.00 WT1 H ATOM 9294 H2 TIP3 2192 2.105 14.259 -7.534 1.00 0.00 WT1 H ATOM 9295 OH2 TIP3 2193 -3.725 0.339 3.651 1.00 0.00 WT1 O ATOM 9296 H1 TIP3 2193 -11.742 -3.659 -4.774 1.00 0.00 WT1 H ATOM 9297 H2 TIP3 2193 -10.552 0.201 5.351 1.00 0.00 WT1 H ATOM 9298 OH2 TIP3 2194 -0.137 1.326 -4.618 1.00 0.00 WT1 O ATOM 9299 H1 TIP3 2194 -21.704 -11.849 -10.456 1.00 0.00 WT1 H ATOM 9300 H2 TIP3 2194 -1.669 1.440 -4.620 1.00 0.00 WT1 H ATOM 9301 OH2 TIP3 2195 0.718 -7.209 6.697 1.00 0.00 WT1 O ATOM 9302 H1 TIP3 2195 -6.362 -25.523 -3.777 1.00 0.00 WT1 H ATOM 9303 H2 TIP3 2195 -10.464 -6.797 6.972 1.00 0.00 WT1 H ATOM 9304 OH2 TIP3 2196 -2.180 -1.162 1.907 1.00 0.00 WT1 O ATOM 9305 H1 TIP3 2196 -35.917 -18.416 12.763 1.00 0.00 WT1 H ATOM 9306 H2 TIP3 2196 -28.244 18.166 -3.361 1.00 0.00 WT1 H ATOM 9307 OH2 TIP3 2197 0.401 0.286 5.710 1.00 0.00 WT1 O ATOM 9308 H1 TIP3 2197 26.705 -14.514 -27.919 1.00 0.00 WT1 H ATOM 9309 H2 TIP3 2197 -5.833 4.088 11.573 1.00 0.00 WT1 H ATOM 9310 OH2 TIP3 2198 -0.592 -1.350 -7.281 1.00 0.00 WT1 O ATOM 9311 H1 TIP3 2198 6.104 -1.146 -8.580 1.00 0.00 WT1 H ATOM 9312 H2 TIP3 2198 -1.820 -11.455 -1.219 1.00 0.00 WT1 H ATOM 9313 OH2 TIP3 2199 -7.210 -2.886 -5.382 1.00 0.00 WT1 O ATOM 9314 H1 TIP3 2199 6.533 -18.703 -23.880 1.00 0.00 WT1 H ATOM 9315 H2 TIP3 2199 18.906 -26.608 -10.430 1.00 0.00 WT1 H ATOM 9316 OH2 TIP3 2200 -2.846 1.472 -4.031 1.00 0.00 WT1 O ATOM 9317 H1 TIP3 2200 10.570 6.043 -12.484 1.00 0.00 WT1 H ATOM 9318 H2 TIP3 2200 -35.787 -4.831 1.958 1.00 0.00 WT1 H ATOM 9319 OH2 TIP3 2201 4.288 2.960 -9.736 1.00 0.00 WT1 O ATOM 9320 H1 TIP3 2201 -2.570 -6.761 -1.746 1.00 0.00 WT1 H ATOM 9321 H2 TIP3 2201 -0.983 5.111 -15.604 1.00 0.00 WT1 H ATOM 9322 OH2 TIP3 2202 -7.161 -4.087 -9.723 1.00 0.00 WT1 O ATOM 9323 H1 TIP3 2202 -10.846 -1.883 -16.097 1.00 0.00 WT1 H ATOM 9324 H2 TIP3 2202 -10.389 -11.055 -6.476 1.00 0.00 WT1 H ATOM 9325 OH2 TIP3 2203 4.293 -4.805 -1.249 1.00 0.00 WT1 O ATOM 9326 H1 TIP3 2203 0.073 -19.567 8.172 1.00 0.00 WT1 H ATOM 9327 H2 TIP3 2203 5.716 -1.965 -15.539 1.00 0.00 WT1 H ATOM 9328 OH2 TIP3 2204 -5.373 -0.054 0.496 1.00 0.00 WT1 O ATOM 9329 H1 TIP3 2204 -6.345 -2.233 -3.829 1.00 0.00 WT1 H ATOM 9330 H2 TIP3 2204 -4.765 1.345 1.370 1.00 0.00 WT1 H ATOM 9331 OH2 TIP3 2205 10.835 3.309 3.862 1.00 0.00 WT1 O ATOM 9332 H1 TIP3 2205 -7.233 -1.647 8.214 1.00 0.00 WT1 H ATOM 9333 H2 TIP3 2205 -3.698 14.967 11.430 1.00 0.00 WT1 H ATOM 9334 OH2 TIP3 2206 -2.160 -0.489 -0.115 1.00 0.00 WT1 O ATOM 9335 H1 TIP3 2206 -2.164 3.452 5.018 1.00 0.00 WT1 H ATOM 9336 H2 TIP3 2206 -11.905 3.168 21.496 1.00 0.00 WT1 H ATOM 9337 OH2 TIP3 2207 1.899 0.211 1.710 1.00 0.00 WT1 O ATOM 9338 H1 TIP3 2207 16.533 9.187 1.263 1.00 0.00 WT1 H ATOM 9339 H2 TIP3 2207 -8.567 12.202 15.070 1.00 0.00 WT1 H ATOM 9340 OH2 TIP3 2208 -0.101 8.455 -0.349 1.00 0.00 WT1 O ATOM 9341 H1 TIP3 2208 10.352 3.582 -7.150 1.00 0.00 WT1 H ATOM 9342 H2 TIP3 2208 29.864 1.910 -20.073 1.00 0.00 WT1 H ATOM 9343 OH2 TIP3 2209 4.823 -6.461 -3.244 1.00 0.00 WT1 O ATOM 9344 H1 TIP3 2209 0.679 6.648 -8.066 1.00 0.00 WT1 H ATOM 9345 H2 TIP3 2209 7.777 -1.314 18.173 1.00 0.00 WT1 H ATOM 9346 OH2 TIP3 2210 0.675 1.917 -2.655 1.00 0.00 WT1 O ATOM 9347 H1 TIP3 2210 7.583 1.972 -6.511 1.00 0.00 WT1 H ATOM 9348 H2 TIP3 2210 3.954 3.966 2.001 1.00 0.00 WT1 H ATOM 9349 OH2 TIP3 2211 4.081 -1.048 0.049 1.00 0.00 WT1 O ATOM 9350 H1 TIP3 2211 9.152 3.677 5.470 1.00 0.00 WT1 H ATOM 9351 H2 TIP3 2211 -3.839 0.211 -1.039 1.00 0.00 WT1 H ATOM 9352 OH2 TIP3 2213 -3.830 4.178 1.499 1.00 0.00 WT1 O ATOM 9353 H1 TIP3 2213 -3.653 17.623 -3.715 1.00 0.00 WT1 H ATOM 9354 H2 TIP3 2213 -5.162 5.115 2.566 1.00 0.00 WT1 H ATOM 9355 OH2 TIP3 2214 -3.449 2.410 -4.273 1.00 0.00 WT1 O ATOM 9356 H1 TIP3 2214 -24.533 -4.545 -8.800 1.00 0.00 WT1 H ATOM 9357 H2 TIP3 2214 2.507 -1.054 -7.440 1.00 0.00 WT1 H ATOM 9358 OH2 TIP3 2215 0.554 -3.126 -5.291 1.00 0.00 WT1 O ATOM 9359 H1 TIP3 2215 10.276 -17.695 8.828 1.00 0.00 WT1 H ATOM 9360 H2 TIP3 2215 5.327 -12.486 1.377 1.00 0.00 WT1 H ATOM 9361 OH2 TIP3 2216 -3.593 -0.969 -4.116 1.00 0.00 WT1 O ATOM 9362 H1 TIP3 2216 -4.781 11.149 -19.857 1.00 0.00 WT1 H ATOM 9363 H2 TIP3 2216 -2.835 -3.854 -0.727 1.00 0.00 WT1 H ATOM 9364 OH2 TIP3 2217 -6.658 6.043 -0.346 1.00 0.00 WT1 O ATOM 9365 H1 TIP3 2217 -0.279 5.401 -28.284 1.00 0.00 WT1 H ATOM 9366 H2 TIP3 2217 -3.998 8.561 -3.979 1.00 0.00 WT1 H ATOM 9367 OH2 TIP3 2218 4.088 2.928 0.627 1.00 0.00 WT1 O ATOM 9368 H1 TIP3 2218 23.175 9.544 18.366 1.00 0.00 WT1 H ATOM 9369 H2 TIP3 2218 23.730 -22.609 23.558 1.00 0.00 WT1 H ATOM 9370 OH2 TIP3 2219 -0.068 2.413 -2.740 1.00 0.00 WT1 O ATOM 9371 H1 TIP3 2219 -7.723 1.775 -5.352 1.00 0.00 WT1 H ATOM 9372 H2 TIP3 2219 13.818 -8.976 25.665 1.00 0.00 WT1 H ATOM 9373 OH2 TIP3 2220 -4.606 2.538 5.610 1.00 0.00 WT1 O ATOM 9374 H1 TIP3 2220 -18.969 -18.786 6.591 1.00 0.00 WT1 H ATOM 9375 H2 TIP3 2220 -6.222 0.077 7.251 1.00 0.00 WT1 H ATOM 9376 OH2 TIP3 2221 3.026 -5.238 -5.146 1.00 0.00 WT1 O ATOM 9377 H1 TIP3 2221 0.581 -10.478 -2.007 1.00 0.00 WT1 H ATOM 9378 H2 TIP3 2221 -3.936 -7.454 1.610 1.00 0.00 WT1 H ATOM 9379 OH2 TIP3 2223 -2.202 -0.359 3.051 1.00 0.00 WT1 O ATOM 9380 H1 TIP3 2223 1.720 2.488 7.323 1.00 0.00 WT1 H ATOM 9381 H2 TIP3 2223 -13.053 -0.993 -5.755 1.00 0.00 WT1 H ATOM 9382 OH2 TIP3 2224 2.308 -4.097 -3.834 1.00 0.00 WT1 O ATOM 9383 H1 TIP3 2224 2.338 3.445 1.445 1.00 0.00 WT1 H ATOM 9384 H2 TIP3 2224 0.443 1.472 3.127 1.00 0.00 WT1 H ATOM 9385 OH2 TIP3 2225 1.272 -1.783 -1.127 1.00 0.00 WT1 O ATOM 9386 H1 TIP3 2225 0.318 -14.448 -11.849 1.00 0.00 WT1 H ATOM 9387 H2 TIP3 2225 -1.285 0.660 0.328 1.00 0.00 WT1 H ATOM 9388 OH2 TIP3 2226 4.935 -2.459 1.507 1.00 0.00 WT1 O ATOM 9389 H1 TIP3 2226 9.520 3.242 12.166 1.00 0.00 WT1 H ATOM 9390 H2 TIP3 2226 14.852 10.769 24.739 1.00 0.00 WT1 H ATOM 9391 OH2 TIP3 2227 3.405 1.090 -3.351 1.00 0.00 WT1 O ATOM 9392 H1 TIP3 2227 7.143 5.857 1.250 1.00 0.00 WT1 H ATOM 9393 H2 TIP3 2227 7.334 3.895 1.536 1.00 0.00 WT1 H ATOM 9394 OH2 TIP3 2228 -4.745 0.696 0.376 1.00 0.00 WT1 O ATOM 9395 H1 TIP3 2228 -1.954 -9.091 -10.529 1.00 0.00 WT1 H ATOM 9396 H2 TIP3 2228 -23.469 2.645 4.094 1.00 0.00 WT1 H ATOM 9397 OH2 TIP3 2229 -5.829 0.052 -9.305 1.00 0.00 WT1 O ATOM 9398 H1 TIP3 2229 -2.521 14.058 -3.660 1.00 0.00 WT1 H ATOM 9399 H2 TIP3 2229 -8.449 -11.946 9.216 1.00 0.00 WT1 H ATOM 9400 OH2 TIP3 2231 3.559 -7.070 -6.815 1.00 0.00 WT1 O ATOM 9401 H1 TIP3 2231 12.530 -5.266 6.018 1.00 0.00 WT1 H ATOM 9402 H2 TIP3 2231 13.130 2.727 19.641 1.00 0.00 WT1 H ATOM 9403 OH2 TIP3 2232 4.092 3.447 -5.172 1.00 0.00 WT1 O ATOM 9404 H1 TIP3 2232 -1.088 5.859 -6.647 1.00 0.00 WT1 H ATOM 9405 H2 TIP3 2232 -16.722 5.993 5.477 1.00 0.00 WT1 H ATOM 9406 OH2 TIP3 2233 1.961 -2.864 1.532 1.00 0.00 WT1 O ATOM 9407 H1 TIP3 2233 -15.789 -9.657 -8.070 1.00 0.00 WT1 H ATOM 9408 H2 TIP3 2233 0.629 3.341 -13.367 1.00 0.00 WT1 H ATOM 9409 OH2 TIP3 2234 1.885 -3.744 2.189 1.00 0.00 WT1 O ATOM 9410 H1 TIP3 2234 -11.006 7.297 -5.724 1.00 0.00 WT1 H ATOM 9411 H2 TIP3 2234 -7.031 -16.988 -36.059 1.00 0.00 WT1 H ATOM 9412 OH2 TIP3 2235 -0.390 2.927 -1.438 1.00 0.00 WT1 O ATOM 9413 H1 TIP3 2235 3.264 0.450 -0.666 1.00 0.00 WT1 H ATOM 9414 H2 TIP3 2235 -6.347 8.467 1.485 1.00 0.00 WT1 H ATOM 9415 OH2 TIP3 2236 6.888 -0.693 -4.411 1.00 0.00 WT1 O ATOM 9416 H1 TIP3 2236 2.454 10.364 7.194 1.00 0.00 WT1 H ATOM 9417 H2 TIP3 2236 5.493 -1.586 -11.012 1.00 0.00 WT1 H ATOM 9418 OH2 TIP3 2237 0.019 0.779 4.587 1.00 0.00 WT1 O ATOM 9419 H1 TIP3 2237 -20.173 7.685 19.307 1.00 0.00 WT1 H ATOM 9420 H2 TIP3 2237 -3.956 -31.358 20.318 1.00 0.00 WT1 H ATOM 9421 OH2 TIP3 2238 -1.465 2.084 -0.826 1.00 0.00 WT1 O ATOM 9422 H1 TIP3 2238 -1.294 15.442 0.009 1.00 0.00 WT1 H ATOM 9423 H2 TIP3 2238 7.046 10.736 -4.994 1.00 0.00 WT1 H ATOM 9424 OH2 TIP3 2240 -3.407 6.078 -9.029 1.00 0.00 WT1 O ATOM 9425 H1 TIP3 2240 -8.371 5.423 -6.186 1.00 0.00 WT1 H ATOM 9426 H2 TIP3 2240 -8.818 4.769 -19.597 1.00 0.00 WT1 H ATOM 9427 OH2 TIP3 2241 0.770 1.477 4.745 1.00 0.00 WT1 O ATOM 9428 H1 TIP3 2241 -12.973 15.800 25.366 1.00 0.00 WT1 H ATOM 9429 H2 TIP3 2241 -8.612 -27.237 7.472 1.00 0.00 WT1 H ATOM 9430 OH2 TIP3 2242 -5.842 -0.477 -4.377 1.00 0.00 WT1 O ATOM 9431 H1 TIP3 2242 6.025 17.109 1.704 1.00 0.00 WT1 H ATOM 9432 H2 TIP3 2242 0.917 -4.741 -1.712 1.00 0.00 WT1 H ATOM 9433 OH2 TIP3 2243 1.472 0.654 1.214 1.00 0.00 WT1 O ATOM 9434 H1 TIP3 2243 -3.375 1.782 15.085 1.00 0.00 WT1 H ATOM 9435 H2 TIP3 2243 11.715 -3.822 7.318 1.00 0.00 WT1 H ATOM 9436 OH2 TIP3 2244 2.654 -4.644 -0.811 1.00 0.00 WT1 O ATOM 9437 H1 TIP3 2244 1.284 -13.512 -15.105 1.00 0.00 WT1 H ATOM 9438 H2 TIP3 2244 5.832 2.307 -4.865 1.00 0.00 WT1 H ATOM 9439 OH2 TIP3 2245 -3.469 1.560 0.034 1.00 0.00 WT1 O ATOM 9440 H1 TIP3 2245 4.619 12.335 19.276 1.00 0.00 WT1 H ATOM 9441 H2 TIP3 2245 -16.562 16.166 -11.282 1.00 0.00 WT1 H ATOM 9442 OH2 TIP3 2246 -4.879 0.059 0.171 1.00 0.00 WT1 O ATOM 9443 H1 TIP3 2246 8.005 -10.889 13.855 1.00 0.00 WT1 H ATOM 9444 H2 TIP3 2246 -8.707 22.400 10.481 1.00 0.00 WT1 H ATOM 9445 OH2 TIP3 2247 -2.288 -10.320 0.347 1.00 0.00 WT1 O ATOM 9446 H1 TIP3 2247 -2.960 -2.624 3.183 1.00 0.00 WT1 H ATOM 9447 H2 TIP3 2247 0.180 -3.377 -7.526 1.00 0.00 WT1 H ATOM 9448 OH2 TIP3 2248 5.835 2.050 -4.758 1.00 0.00 WT1 O ATOM 9449 H1 TIP3 2248 -9.498 22.617 -0.871 1.00 0.00 WT1 H ATOM 9450 H2 TIP3 2248 1.292 9.380 -3.950 1.00 0.00 WT1 H ATOM 9451 OH2 TIP3 2249 -3.037 -2.338 -4.376 1.00 0.00 WT1 O ATOM 9452 H1 TIP3 2249 -7.375 5.232 -0.721 1.00 0.00 WT1 H ATOM 9453 H2 TIP3 2249 10.376 14.890 -7.586 1.00 0.00 WT1 H ATOM 9454 OH2 TIP3 2250 -4.363 -4.413 3.845 1.00 0.00 WT1 O ATOM 9455 H1 TIP3 2250 4.864 -19.720 2.361 1.00 0.00 WT1 H ATOM 9456 H2 TIP3 2250 -21.054 13.289 -1.373 1.00 0.00 WT1 H ATOM 9457 OH2 TIP3 2251 -6.248 -2.324 1.423 1.00 0.00 WT1 O ATOM 9458 H1 TIP3 2251 9.771 -2.099 2.572 1.00 0.00 WT1 H ATOM 9459 H2 TIP3 2251 -1.327 5.096 9.984 1.00 0.00 WT1 H ATOM 9460 OH2 TIP3 2252 -2.645 4.880 3.890 1.00 0.00 WT1 O ATOM 9461 H1 TIP3 2252 -9.653 5.761 3.715 1.00 0.00 WT1 H ATOM 9462 H2 TIP3 2252 -4.130 1.921 10.186 1.00 0.00 WT1 H ATOM 9463 OH2 TIP3 2253 -4.337 -1.907 -0.548 1.00 0.00 WT1 O ATOM 9464 H1 TIP3 2253 -2.135 3.161 -5.761 1.00 0.00 WT1 H ATOM 9465 H2 TIP3 2253 -7.219 -6.795 -1.237 1.00 0.00 WT1 H ATOM 9466 OH2 TIP3 2254 1.377 -7.374 7.078 1.00 0.00 WT1 O ATOM 9467 H1 TIP3 2254 21.522 -12.877 -21.877 1.00 0.00 WT1 H ATOM 9468 H2 TIP3 2254 -15.654 -8.989 -9.918 1.00 0.00 WT1 H ATOM 9469 OH2 TIP3 2255 1.815 -2.028 -4.949 1.00 0.00 WT1 O ATOM 9470 H1 TIP3 2255 5.322 -3.566 -5.287 1.00 0.00 WT1 H ATOM 9471 H2 TIP3 2255 -16.777 0.388 -2.095 1.00 0.00 WT1 H ATOM 9472 OH2 TIP3 2256 -4.084 -0.524 2.133 1.00 0.00 WT1 O ATOM 9473 H1 TIP3 2256 -3.252 -6.878 9.261 1.00 0.00 WT1 H ATOM 9474 H2 TIP3 2256 -13.038 4.743 3.873 1.00 0.00 WT1 H ATOM 9475 OH2 TIP3 2257 0.058 -0.744 1.183 1.00 0.00 WT1 O ATOM 9476 H1 TIP3 2257 -2.968 -14.230 8.993 1.00 0.00 WT1 H ATOM 9477 H2 TIP3 2257 10.453 23.294 -11.947 1.00 0.00 WT1 H ATOM 9478 OH2 TIP3 2258 2.280 -7.717 1.585 1.00 0.00 WT1 O ATOM 9479 H1 TIP3 2258 6.818 -9.256 -3.906 1.00 0.00 WT1 H ATOM 9480 H2 TIP3 2258 -9.268 -1.146 0.286 1.00 0.00 WT1 H ATOM 9481 OH2 TIP3 2259 -2.995 -1.192 3.125 1.00 0.00 WT1 O ATOM 9482 H1 TIP3 2259 3.306 -1.599 6.063 1.00 0.00 WT1 H ATOM 9483 H2 TIP3 2259 47.836 -10.874 23.044 1.00 0.00 WT1 H ATOM 9484 OH2 TIP3 2260 5.574 -1.868 0.899 1.00 0.00 WT1 O ATOM 9485 H1 TIP3 2260 11.935 10.673 -25.946 1.00 0.00 WT1 H ATOM 9486 H2 TIP3 2260 -3.829 -36.393 -6.449 1.00 0.00 WT1 H ATOM 9487 OH2 TIP3 2261 -1.948 -0.225 3.636 1.00 0.00 WT1 O ATOM 9488 H1 TIP3 2261 -6.091 -12.327 21.104 1.00 0.00 WT1 H ATOM 9489 H2 TIP3 2261 23.125 7.711 1.745 1.00 0.00 WT1 H ATOM 9490 OH2 TIP3 2263 3.241 2.690 3.701 1.00 0.00 WT1 O ATOM 9491 H1 TIP3 2263 3.932 -1.956 -18.341 1.00 0.00 WT1 H ATOM 9492 H2 TIP3 2263 -1.348 -1.235 10.259 1.00 0.00 WT1 H ATOM 9493 OH2 TIP3 2264 -3.057 6.384 -2.858 1.00 0.00 WT1 O ATOM 9494 H1 TIP3 2264 -25.607 -11.073 -20.100 1.00 0.00 WT1 H ATOM 9495 H2 TIP3 2264 -4.183 28.295 -1.385 1.00 0.00 WT1 H ATOM 9496 OH2 TIP3 2265 -0.001 3.016 -1.826 1.00 0.00 WT1 O ATOM 9497 H1 TIP3 2265 -4.272 -5.831 -1.071 1.00 0.00 WT1 H ATOM 9498 H2 TIP3 2265 -1.960 37.819 -8.515 1.00 0.00 WT1 H ATOM 9499 OH2 TIP3 2266 2.354 5.005 2.908 1.00 0.00 WT1 O ATOM 9500 H1 TIP3 2266 13.750 8.985 7.139 1.00 0.00 WT1 H ATOM 9501 H2 TIP3 2266 8.447 -9.419 11.104 1.00 0.00 WT1 H ATOM 9502 OH2 TIP3 2267 -0.689 -5.533 6.091 1.00 0.00 WT1 O ATOM 9503 H1 TIP3 2267 -7.973 -17.963 -2.346 1.00 0.00 WT1 H ATOM 9504 H2 TIP3 2267 6.990 16.078 15.051 1.00 0.00 WT1 H ATOM 9505 OH2 TIP3 2268 3.588 -1.050 2.044 1.00 0.00 WT1 O ATOM 9506 H1 TIP3 2268 8.157 -0.107 -11.359 1.00 0.00 WT1 H ATOM 9507 H2 TIP3 2268 5.127 -9.641 -0.998 1.00 0.00 WT1 H ATOM 9508 OH2 TIP3 2269 0.349 -4.186 4.393 1.00 0.00 WT1 O ATOM 9509 H1 TIP3 2269 -5.300 -5.810 14.161 1.00 0.00 WT1 H ATOM 9510 H2 TIP3 2269 -7.686 -4.805 3.524 1.00 0.00 WT1 H ATOM 9511 OH2 TIP3 2270 -1.186 -2.058 3.060 1.00 0.00 WT1 O ATOM 9512 H1 TIP3 2270 -0.011 7.271 2.168 1.00 0.00 WT1 H ATOM 9513 H2 TIP3 2270 23.023 17.487 9.250 1.00 0.00 WT1 H ATOM 9514 OH2 TIP3 2271 0.328 -4.674 -0.884 1.00 0.00 WT1 O ATOM 9515 H1 TIP3 2271 -7.687 -12.551 8.667 1.00 0.00 WT1 H ATOM 9516 H2 TIP3 2271 -6.022 -12.381 -6.219 1.00 0.00 WT1 H ATOM 9517 OH2 TIP3 2272 -1.894 3.877 -5.148 1.00 0.00 WT1 O ATOM 9518 H1 TIP3 2272 -1.126 -9.782 3.644 1.00 0.00 WT1 H ATOM 9519 H2 TIP3 2272 -14.390 13.500 1.151 1.00 0.00 WT1 H ATOM 9520 OH2 TIP3 2273 -3.680 -1.293 4.726 1.00 0.00 WT1 O ATOM 9521 H1 TIP3 2273 -1.166 -0.614 -5.880 1.00 0.00 WT1 H ATOM 9522 H2 TIP3 2273 -18.184 -1.439 6.174 1.00 0.00 WT1 H ATOM 9523 OH2 TIP3 2274 -1.150 3.661 -2.682 1.00 0.00 WT1 O ATOM 9524 H1 TIP3 2274 16.841 -3.254 33.890 1.00 0.00 WT1 H ATOM 9525 H2 TIP3 2274 -5.881 0.364 -9.069 1.00 0.00 WT1 H ATOM 9526 OH2 TIP3 2275 -2.975 2.509 1.332 1.00 0.00 WT1 O ATOM 9527 H1 TIP3 2275 0.793 -14.562 -12.639 1.00 0.00 WT1 H ATOM 9528 H2 TIP3 2275 0.108 -12.195 -30.492 1.00 0.00 WT1 H ATOM 9529 OH2 TIP3 2276 -0.371 4.533 -0.748 1.00 0.00 WT1 O ATOM 9530 H1 TIP3 2276 -7.960 8.126 -16.073 1.00 0.00 WT1 H ATOM 9531 H2 TIP3 2276 10.749 7.659 9.483 1.00 0.00 WT1 H ATOM 9532 OH2 TIP3 2277 1.156 -1.832 -0.321 1.00 0.00 WT1 O ATOM 9533 H1 TIP3 2277 -7.730 -18.014 -14.753 1.00 0.00 WT1 H ATOM 9534 H2 TIP3 2277 3.802 -17.671 3.386 1.00 0.00 WT1 H ATOM 9535 OH2 TIP3 2278 0.526 -2.671 7.559 1.00 0.00 WT1 O ATOM 9536 H1 TIP3 2278 6.135 19.888 -1.218 1.00 0.00 WT1 H ATOM 9537 H2 TIP3 2278 -2.341 -24.422 15.443 1.00 0.00 WT1 H ATOM 9538 OH2 TIP3 2279 0.206 -3.828 -3.013 1.00 0.00 WT1 O ATOM 9539 H1 TIP3 2279 -12.653 -22.270 0.422 1.00 0.00 WT1 H ATOM 9540 H2 TIP3 2279 4.493 2.289 -5.407 1.00 0.00 WT1 H ATOM 9541 OH2 TIP3 2280 4.004 1.564 -6.967 1.00 0.00 WT1 O ATOM 9542 H1 TIP3 2280 -24.290 14.830 -34.126 1.00 0.00 WT1 H ATOM 9543 H2 TIP3 2280 17.683 -1.386 6.204 1.00 0.00 WT1 H ATOM 9544 OH2 TIP3 2281 -4.105 -2.368 -0.749 1.00 0.00 WT1 O ATOM 9545 H1 TIP3 2281 7.533 10.271 -14.466 1.00 0.00 WT1 H ATOM 9546 H2 TIP3 2281 2.823 -6.710 -2.068 1.00 0.00 WT1 H ATOM 9547 OH2 TIP3 2282 -0.496 -4.719 9.771 1.00 0.00 WT1 O ATOM 9548 H1 TIP3 2282 -6.285 4.040 -2.795 1.00 0.00 WT1 H ATOM 9549 H2 TIP3 2282 13.224 -2.195 20.083 1.00 0.00 WT1 H ATOM 9550 OH2 TIP3 2283 -0.638 -4.788 0.159 1.00 0.00 WT1 O ATOM 9551 H1 TIP3 2283 -21.315 25.217 10.405 1.00 0.00 WT1 H ATOM 9552 H2 TIP3 2283 13.999 7.960 28.121 1.00 0.00 WT1 H ATOM 9553 OH2 TIP3 2284 -1.757 -0.202 -5.697 1.00 0.00 WT1 O ATOM 9554 H1 TIP3 2284 -1.662 -3.753 -4.509 1.00 0.00 WT1 H ATOM 9555 H2 TIP3 2284 -1.687 0.625 1.069 1.00 0.00 WT1 H ATOM 9556 OH2 TIP3 2285 -3.245 0.090 1.248 1.00 0.00 WT1 O ATOM 9557 H1 TIP3 2285 5.491 -2.230 6.458 1.00 0.00 WT1 H ATOM 9558 H2 TIP3 2285 5.780 17.002 2.255 1.00 0.00 WT1 H ATOM 9559 OH2 TIP3 2286 3.378 -0.446 -2.759 1.00 0.00 WT1 O ATOM 9560 H1 TIP3 2286 11.458 0.471 6.239 1.00 0.00 WT1 H ATOM 9561 H2 TIP3 2286 -6.509 -2.359 -2.556 1.00 0.00 WT1 H ATOM 9562 OH2 TIP3 2287 -5.434 5.216 3.831 1.00 0.00 WT1 O ATOM 9563 H1 TIP3 2287 -26.879 -9.462 14.785 1.00 0.00 WT1 H ATOM 9564 H2 TIP3 2287 -16.770 12.766 -13.637 1.00 0.00 WT1 H ATOM 9565 OH2 TIP3 2288 -2.030 8.593 -1.828 1.00 0.00 WT1 O ATOM 9566 H1 TIP3 2288 28.238 21.071 11.152 1.00 0.00 WT1 H ATOM 9567 H2 TIP3 2288 -9.852 7.633 -10.037 1.00 0.00 WT1 H ATOM 9568 OH2 TIP3 2289 4.076 -1.668 4.816 1.00 0.00 WT1 O ATOM 9569 H1 TIP3 2289 -2.411 -9.237 4.820 1.00 0.00 WT1 H ATOM 9570 H2 TIP3 2289 11.438 -11.238 -2.273 1.00 0.00 WT1 H ATOM 9571 OH2 TIP3 2290 -2.676 -0.744 -0.827 1.00 0.00 WT1 O ATOM 9572 H1 TIP3 2290 -4.997 1.249 1.439 1.00 0.00 WT1 H ATOM 9573 H2 TIP3 2290 7.625 8.529 -9.871 1.00 0.00 WT1 H ATOM 9574 OH2 TIP3 2291 -0.358 -0.129 -2.539 1.00 0.00 WT1 O ATOM 9575 H1 TIP3 2291 -6.314 -3.202 3.402 1.00 0.00 WT1 H ATOM 9576 H2 TIP3 2291 7.624 -4.819 -0.996 1.00 0.00 WT1 H ATOM 9577 OH2 TIP3 2292 -0.153 -5.348 2.892 1.00 0.00 WT1 O ATOM 9578 H1 TIP3 2292 14.153 -2.976 -17.045 1.00 0.00 WT1 H ATOM 9579 H2 TIP3 2292 23.847 6.355 -8.580 1.00 0.00 WT1 H ATOM 9580 OH2 TIP3 2293 -7.003 3.279 -1.993 1.00 0.00 WT1 O ATOM 9581 H1 TIP3 2293 -11.792 19.701 3.996 1.00 0.00 WT1 H ATOM 9582 H2 TIP3 2293 13.255 5.003 -4.111 1.00 0.00 WT1 H ATOM 9583 OH2 TIP3 2294 1.632 -3.224 0.058 1.00 0.00 WT1 O ATOM 9584 H1 TIP3 2294 4.899 -8.801 -7.748 1.00 0.00 WT1 H ATOM 9585 H2 TIP3 2294 5.987 8.224 6.400 1.00 0.00 WT1 H ATOM 9586 OH2 TIP3 2295 -1.435 2.891 -0.807 1.00 0.00 WT1 O ATOM 9587 H1 TIP3 2295 -12.970 6.786 -1.107 1.00 0.00 WT1 H ATOM 9588 H2 TIP3 2295 9.038 1.843 -5.450 1.00 0.00 WT1 H ATOM 9589 OH2 TIP3 2296 8.450 5.798 6.672 1.00 0.00 WT1 O ATOM 9590 H1 TIP3 2296 1.808 10.717 18.751 1.00 0.00 WT1 H ATOM 9591 H2 TIP3 2296 -11.973 9.252 -1.318 1.00 0.00 WT1 H ATOM 9592 OH2 TIP3 2298 0.425 2.157 -0.271 1.00 0.00 WT1 O ATOM 9593 H1 TIP3 2298 14.921 14.849 7.660 1.00 0.00 WT1 H ATOM 9594 H2 TIP3 2298 -21.182 23.709 12.704 1.00 0.00 WT1 H ATOM 9595 OH2 TIP3 2299 2.393 4.546 -3.866 1.00 0.00 WT1 O ATOM 9596 H1 TIP3 2299 -1.622 4.918 -4.773 1.00 0.00 WT1 H ATOM 9597 H2 TIP3 2299 12.139 -11.855 1.886 1.00 0.00 WT1 H ATOM 9598 OH2 TIP3 2300 4.578 -0.979 3.948 1.00 0.00 WT1 O ATOM 9599 H1 TIP3 2300 2.043 4.304 -1.808 1.00 0.00 WT1 H ATOM 9600 H2 TIP3 2300 11.479 -7.767 -10.964 1.00 0.00 WT1 H ATOM 9601 OH2 TIP3 2301 -3.094 -3.843 -1.687 1.00 0.00 WT1 O ATOM 9602 H1 TIP3 2301 -4.100 -0.773 5.460 1.00 0.00 WT1 H ATOM 9603 H2 TIP3 2301 -0.750 -2.415 -0.608 1.00 0.00 WT1 H ATOM 9604 OH2 TIP3 2302 0.477 6.103 -6.254 1.00 0.00 WT1 O ATOM 9605 H1 TIP3 2302 -0.714 4.117 -7.774 1.00 0.00 WT1 H ATOM 9606 H2 TIP3 2302 -0.675 7.977 -6.747 1.00 0.00 WT1 H ATOM 9607 OH2 TIP3 2303 -8.166 -2.302 1.758 1.00 0.00 WT1 O ATOM 9608 H1 TIP3 2303 -0.427 17.132 4.168 1.00 0.00 WT1 H ATOM 9609 H2 TIP3 2303 -0.476 1.425 24.058 1.00 0.00 WT1 H ATOM 9610 OH2 TIP3 2305 1.816 -8.001 0.306 1.00 0.00 WT1 O ATOM 9611 H1 TIP3 2305 -17.806 -3.293 17.549 1.00 0.00 WT1 H ATOM 9612 H2 TIP3 2305 -3.129 -13.127 14.053 1.00 0.00 WT1 H ATOM 9613 OH2 TIP3 2306 2.414 -5.109 -7.338 1.00 0.00 WT1 O ATOM 9614 H1 TIP3 2306 -0.367 7.999 -0.024 1.00 0.00 WT1 H ATOM 9615 H2 TIP3 2306 6.765 -12.781 10.800 1.00 0.00 WT1 H ATOM 9616 OH2 TIP3 2307 1.559 -4.192 -3.080 1.00 0.00 WT1 O ATOM 9617 H1 TIP3 2307 -22.064 -17.518 -3.027 1.00 0.00 WT1 H ATOM 9618 H2 TIP3 2307 9.037 7.872 5.231 1.00 0.00 WT1 H ATOM 9619 OH2 TIP3 2308 4.157 -1.574 4.456 1.00 0.00 WT1 O ATOM 9620 H1 TIP3 2308 6.714 5.377 3.743 1.00 0.00 WT1 H ATOM 9621 H2 TIP3 2308 -1.680 -1.510 0.968 1.00 0.00 WT1 H ATOM 9622 OH2 TIP3 2309 6.172 1.188 4.416 1.00 0.00 WT1 O ATOM 9623 H1 TIP3 2309 -18.584 -5.916 6.742 1.00 0.00 WT1 H ATOM 9624 H2 TIP3 2309 20.506 -9.556 4.536 1.00 0.00 WT1 H ATOM 9625 OH2 TIP3 2310 1.949 3.551 2.204 1.00 0.00 WT1 O ATOM 9626 H1 TIP3 2310 5.444 3.301 -23.117 1.00 0.00 WT1 H ATOM 9627 H2 TIP3 2310 26.677 0.575 12.392 1.00 0.00 WT1 H ATOM 9628 OH2 TIP3 2311 3.575 4.031 6.298 1.00 0.00 WT1 O ATOM 9629 H1 TIP3 2311 -10.965 -11.836 19.800 1.00 0.00 WT1 H ATOM 9630 H2 TIP3 2311 10.463 -10.297 -14.429 1.00 0.00 WT1 H ATOM 9631 OH2 TIP3 2313 5.284 -0.934 -0.673 1.00 0.00 WT1 O ATOM 9632 H1 TIP3 2313 23.213 -13.670 -9.922 1.00 0.00 WT1 H ATOM 9633 H2 TIP3 2313 -0.448 -12.493 20.147 1.00 0.00 WT1 H ATOM 9634 OH2 TIP3 2314 -2.520 7.287 3.673 1.00 0.00 WT1 O ATOM 9635 H1 TIP3 2314 -16.301 8.538 14.124 1.00 0.00 WT1 H ATOM 9636 H2 TIP3 2314 0.469 0.522 16.172 1.00 0.00 WT1 H ATOM 9637 OH2 TIP3 2315 -3.512 -2.367 2.187 1.00 0.00 WT1 O ATOM 9638 H1 TIP3 2315 9.489 4.125 9.381 1.00 0.00 WT1 H ATOM 9639 H2 TIP3 2315 -11.402 6.242 -6.822 1.00 0.00 WT1 H ATOM 9640 OH2 TIP3 2316 3.648 4.207 -1.091 1.00 0.00 WT1 O ATOM 9641 H1 TIP3 2316 8.111 38.103 -15.758 1.00 0.00 WT1 H ATOM 9642 H2 TIP3 2316 9.645 8.803 1.175 1.00 0.00 WT1 H ATOM 9643 OH2 TIP3 2317 0.348 -2.567 5.441 1.00 0.00 WT1 O ATOM 9644 H1 TIP3 2317 -1.989 4.875 -10.270 1.00 0.00 WT1 H ATOM 9645 H2 TIP3 2317 -0.503 -5.396 -0.469 1.00 0.00 WT1 H ATOM 9646 OH2 TIP3 2318 -11.288 7.883 7.142 1.00 0.00 WT1 O ATOM 9647 H1 TIP3 2318 -12.188 24.131 6.701 1.00 0.00 WT1 H ATOM 9648 H2 TIP3 2318 -9.444 13.815 14.493 1.00 0.00 WT1 H ATOM 9649 OH2 TIP3 2319 3.362 -1.581 -4.005 1.00 0.00 WT1 O ATOM 9650 H1 TIP3 2319 2.143 -2.801 -28.388 1.00 0.00 WT1 H ATOM 9651 H2 TIP3 2319 1.648 -2.991 9.753 1.00 0.00 WT1 H ATOM 9652 OH2 TIP3 2320 2.610 -0.979 3.581 1.00 0.00 WT1 O ATOM 9653 H1 TIP3 2320 1.357 -14.663 -3.483 1.00 0.00 WT1 H ATOM 9654 H2 TIP3 2320 13.994 13.561 15.249 1.00 0.00 WT1 H ATOM 9655 OH2 TIP3 2321 -5.055 -3.783 8.688 1.00 0.00 WT1 O ATOM 9656 H1 TIP3 2321 21.449 2.256 10.219 1.00 0.00 WT1 H ATOM 9657 H2 TIP3 2321 -9.015 -3.418 8.241 1.00 0.00 WT1 H ATOM 9658 OH2 TIP3 2322 2.214 -5.365 -0.064 1.00 0.00 WT1 O ATOM 9659 H1 TIP3 2322 12.599 -4.224 1.705 1.00 0.00 WT1 H ATOM 9660 H2 TIP3 2322 -19.857 -7.685 -16.233 1.00 0.00 WT1 H ATOM 9661 OH2 TIP3 2323 -1.268 7.840 2.371 1.00 0.00 WT1 O ATOM 9662 H1 TIP3 2323 -4.012 4.585 -7.336 1.00 0.00 WT1 H ATOM 9663 H2 TIP3 2323 -9.390 -7.788 -5.218 1.00 0.00 WT1 H ATOM 9664 OH2 TIP3 2324 7.613 2.961 6.449 1.00 0.00 WT1 O ATOM 9665 H1 TIP3 2324 -2.017 -1.716 2.504 1.00 0.00 WT1 H ATOM 9666 H2 TIP3 2324 15.401 -0.337 6.925 1.00 0.00 WT1 H ATOM 9667 OH2 TIP3 2326 -4.224 -9.659 1.573 1.00 0.00 WT1 O ATOM 9668 H1 TIP3 2326 -7.910 -11.469 0.753 1.00 0.00 WT1 H ATOM 9669 H2 TIP3 2326 18.585 5.888 7.167 1.00 0.00 WT1 H ATOM 9670 OH2 TIP3 2327 -1.442 0.101 0.280 1.00 0.00 WT1 O ATOM 9671 H1 TIP3 2327 -16.605 20.417 8.964 1.00 0.00 WT1 H ATOM 9672 H2 TIP3 2327 -13.671 9.165 3.502 1.00 0.00 WT1 H ATOM 9673 OH2 TIP3 2329 1.936 2.844 7.231 1.00 0.00 WT1 O ATOM 9674 H1 TIP3 2329 11.648 -20.392 29.572 1.00 0.00 WT1 H ATOM 9675 H2 TIP3 2329 -4.272 2.109 10.480 1.00 0.00 WT1 H ATOM 9676 OH2 TIP3 2330 -2.681 10.443 -0.257 1.00 0.00 WT1 O ATOM 9677 H1 TIP3 2330 11.024 20.633 10.404 1.00 0.00 WT1 H ATOM 9678 H2 TIP3 2330 -6.446 1.099 1.422 1.00 0.00 WT1 H ATOM 9679 OH2 TIP3 2331 2.072 1.532 2.336 1.00 0.00 WT1 O ATOM 9680 H1 TIP3 2331 -4.845 -10.505 3.154 1.00 0.00 WT1 H ATOM 9681 H2 TIP3 2331 -6.223 23.605 8.181 1.00 0.00 WT1 H ATOM 9682 OH2 TIP3 2332 -1.630 -4.229 -1.660 1.00 0.00 WT1 O ATOM 9683 H1 TIP3 2332 -5.369 -16.381 26.541 1.00 0.00 WT1 H ATOM 9684 H2 TIP3 2332 -11.177 -12.077 28.676 1.00 0.00 WT1 H ATOM 9685 OH2 TIP3 2333 -11.646 7.178 -4.193 1.00 0.00 WT1 O ATOM 9686 H1 TIP3 2333 1.474 9.360 6.026 1.00 0.00 WT1 H ATOM 9687 H2 TIP3 2333 -4.186 13.919 -18.813 1.00 0.00 WT1 H ATOM 9688 OH2 TIP3 2334 -2.290 1.048 4.095 1.00 0.00 WT1 O ATOM 9689 H1 TIP3 2334 2.639 6.968 -16.331 1.00 0.00 WT1 H ATOM 9690 H2 TIP3 2334 -21.420 14.418 1.262 1.00 0.00 WT1 H ATOM 9691 OH2 TIP3 2335 4.702 2.121 0.576 1.00 0.00 WT1 O ATOM 9692 H1 TIP3 2335 11.199 3.868 1.804 1.00 0.00 WT1 H ATOM 9693 H2 TIP3 2335 -9.597 -9.123 1.129 1.00 0.00 WT1 H ATOM 9694 OH2 TIP3 2336 8.655 -1.920 -0.696 1.00 0.00 WT1 O ATOM 9695 H1 TIP3 2336 -10.074 6.105 4.426 1.00 0.00 WT1 H ATOM 9696 H2 TIP3 2336 -2.649 3.254 7.589 1.00 0.00 WT1 H ATOM 9697 OH2 TIP3 2337 -2.444 -1.368 1.015 1.00 0.00 WT1 O ATOM 9698 H1 TIP3 2337 -9.525 -9.921 21.924 1.00 0.00 WT1 H ATOM 9699 H2 TIP3 2337 -23.527 8.616 18.371 1.00 0.00 WT1 H ATOM 9700 OH2 TIP3 2338 2.534 0.045 -6.570 1.00 0.00 WT1 O ATOM 9701 H1 TIP3 2338 -8.746 -1.085 5.824 1.00 0.00 WT1 H ATOM 9702 H2 TIP3 2338 16.520 1.419 -18.064 1.00 0.00 WT1 H ATOM 9703 OH2 TIP3 2339 -3.226 3.242 1.105 1.00 0.00 WT1 O ATOM 9704 H1 TIP3 2339 6.821 -1.337 21.755 1.00 0.00 WT1 H ATOM 9705 H2 TIP3 2339 -17.583 -2.489 33.085 1.00 0.00 WT1 H ATOM 9706 OH2 TIP3 2340 0.062 0.795 -0.258 1.00 0.00 WT1 O ATOM 9707 H1 TIP3 2340 11.832 3.658 -5.179 1.00 0.00 WT1 H ATOM 9708 H2 TIP3 2340 16.367 -0.026 -3.401 1.00 0.00 WT1 H ATOM 9709 OH2 TIP3 2341 -0.975 -2.760 -1.609 1.00 0.00 WT1 O ATOM 9710 H1 TIP3 2341 -4.200 10.805 21.978 1.00 0.00 WT1 H ATOM 9711 H2 TIP3 2341 -2.658 -0.822 3.406 1.00 0.00 WT1 H ATOM 9712 OH2 TIP3 2342 -0.990 -5.302 -4.761 1.00 0.00 WT1 O ATOM 9713 H1 TIP3 2342 9.951 -2.139 -1.118 1.00 0.00 WT1 H ATOM 9714 H2 TIP3 2342 31.355 -0.154 16.164 1.00 0.00 WT1 H ATOM 9715 OH2 TIP3 2344 -1.121 -10.709 -1.440 1.00 0.00 WT1 O ATOM 9716 H1 TIP3 2344 -8.085 3.395 -8.360 1.00 0.00 WT1 H ATOM 9717 H2 TIP3 2344 7.293 -24.546 5.612 1.00 0.00 WT1 H ATOM 9718 OH2 TIP3 2345 -2.090 3.134 -0.797 1.00 0.00 WT1 O ATOM 9719 H1 TIP3 2345 -14.252 -0.660 4.738 1.00 0.00 WT1 H ATOM 9720 H2 TIP3 2345 0.385 2.270 0.806 1.00 0.00 WT1 H ATOM 9721 OH2 TIP3 2346 5.219 0.981 0.112 1.00 0.00 WT1 O ATOM 9722 H1 TIP3 2346 5.825 -19.027 -0.937 1.00 0.00 WT1 H ATOM 9723 H2 TIP3 2346 -9.715 1.009 -16.578 1.00 0.00 WT1 H ATOM 9724 OH2 TIP3 2347 -0.802 -0.071 -5.614 1.00 0.00 WT1 O ATOM 9725 H1 TIP3 2347 6.207 -12.773 13.303 1.00 0.00 WT1 H ATOM 9726 H2 TIP3 2347 9.384 22.567 -17.785 1.00 0.00 WT1 H ATOM 9727 OH2 TIP3 2348 4.382 -1.425 6.545 1.00 0.00 WT1 O ATOM 9728 H1 TIP3 2348 8.118 -4.155 10.014 1.00 0.00 WT1 H ATOM 9729 H2 TIP3 2348 5.303 1.296 24.958 1.00 0.00 WT1 H ATOM 9730 OH2 TIP3 2349 -6.694 1.763 -1.438 1.00 0.00 WT1 O ATOM 9731 H1 TIP3 2349 -6.736 0.126 -4.088 1.00 0.00 WT1 H ATOM 9732 H2 TIP3 2349 -3.771 4.419 -2.805 1.00 0.00 WT1 H ATOM 9733 OH2 TIP3 2350 5.695 10.503 -6.006 1.00 0.00 WT1 O ATOM 9734 H1 TIP3 2350 3.042 11.665 26.242 1.00 0.00 WT1 H ATOM 9735 H2 TIP3 2350 8.994 2.136 -19.383 1.00 0.00 WT1 H ATOM 9736 OH2 TIP3 2351 -1.648 1.575 2.286 1.00 0.00 WT1 O ATOM 9737 H1 TIP3 2351 2.421 -3.357 14.668 1.00 0.00 WT1 H ATOM 9738 H2 TIP3 2351 -26.726 6.223 -0.503 1.00 0.00 WT1 H ATOM 9739 OH2 TIP3 2352 3.652 0.251 -1.166 1.00 0.00 WT1 O ATOM 9740 H1 TIP3 2352 -9.467 12.179 4.884 1.00 0.00 WT1 H ATOM 9741 H2 TIP3 2352 5.556 -1.313 -3.145 1.00 0.00 WT1 H ATOM 9742 OH2 TIP3 2353 2.651 -0.853 -6.437 1.00 0.00 WT1 O ATOM 9743 H1 TIP3 2353 -19.325 -36.248 -15.490 1.00 0.00 WT1 H ATOM 9744 H2 TIP3 2353 20.896 13.553 4.996 1.00 0.00 WT1 H ATOM 9745 OH2 TIP3 2354 -3.132 5.574 -4.147 1.00 0.00 WT1 O ATOM 9746 H1 TIP3 2354 -2.886 -14.410 -3.419 1.00 0.00 WT1 H ATOM 9747 H2 TIP3 2354 16.510 -1.621 5.456 1.00 0.00 WT1 H ATOM 9748 OH2 TIP3 2355 -2.502 3.644 5.130 1.00 0.00 WT1 O ATOM 9749 H1 TIP3 2355 -0.184 3.597 1.471 1.00 0.00 WT1 H ATOM 9750 H2 TIP3 2355 8.909 3.606 -9.795 1.00 0.00 WT1 H ATOM 9751 OH2 TIP3 2356 -4.907 -0.990 -4.428 1.00 0.00 WT1 O ATOM 9752 H1 TIP3 2356 11.575 21.857 -10.570 1.00 0.00 WT1 H ATOM 9753 H2 TIP3 2356 1.619 -10.392 9.470 1.00 0.00 WT1 H ATOM 9754 OH2 TIP3 2357 0.717 9.324 2.827 1.00 0.00 WT1 O ATOM 9755 H1 TIP3 2357 12.676 0.818 -21.795 1.00 0.00 WT1 H ATOM 9756 H2 TIP3 2357 -2.840 12.855 10.376 1.00 0.00 WT1 H ATOM 9757 OH2 TIP3 2358 -1.678 -4.130 -0.536 1.00 0.00 WT1 O ATOM 9758 H1 TIP3 2358 -5.231 -4.742 -2.139 1.00 0.00 WT1 H ATOM 9759 H2 TIP3 2358 -10.875 -2.127 -2.581 1.00 0.00 WT1 H ATOM 9760 OH2 TIP3 2359 1.830 2.164 1.807 1.00 0.00 WT1 O ATOM 9761 H1 TIP3 2359 -8.744 -7.769 13.565 1.00 0.00 WT1 H ATOM 9762 H2 TIP3 2359 6.536 4.757 -3.431 1.00 0.00 WT1 H ATOM 9763 OH2 TIP3 2360 6.245 1.502 2.920 1.00 0.00 WT1 O ATOM 9764 H1 TIP3 2360 24.838 -2.724 3.551 1.00 0.00 WT1 H ATOM 9765 H2 TIP3 2360 8.810 -5.637 0.480 1.00 0.00 WT1 H ATOM 9766 OH2 TIP3 2361 -3.565 -3.884 -7.402 1.00 0.00 WT1 O ATOM 9767 H1 TIP3 2361 0.505 -0.487 -18.196 1.00 0.00 WT1 H ATOM 9768 H2 TIP3 2361 -3.200 -9.734 -3.683 1.00 0.00 WT1 H ATOM 9769 OH2 TIP3 2362 3.992 3.151 0.269 1.00 0.00 WT1 O ATOM 9770 H1 TIP3 2362 9.458 -5.281 5.760 1.00 0.00 WT1 H ATOM 9771 H2 TIP3 2362 -23.065 21.418 -20.655 1.00 0.00 WT1 H ATOM 9772 OH2 TIP3 2363 -4.043 2.870 1.103 1.00 0.00 WT1 O ATOM 9773 H1 TIP3 2363 -13.116 20.500 5.526 1.00 0.00 WT1 H ATOM 9774 H2 TIP3 2363 -14.350 10.091 8.616 1.00 0.00 WT1 H ATOM 9775 OH2 TIP3 2367 0.942 1.416 -2.385 1.00 0.00 WT1 O ATOM 9776 H1 TIP3 2367 -11.501 -7.414 -13.572 1.00 0.00 WT1 H ATOM 9777 H2 TIP3 2367 7.505 17.030 1.645 1.00 0.00 WT1 H ATOM 9778 OH2 TIP3 2369 -1.513 4.583 -0.674 1.00 0.00 WT1 O ATOM 9779 H1 TIP3 2369 3.826 17.862 -15.286 1.00 0.00 WT1 H ATOM 9780 H2 TIP3 2369 -5.330 -13.313 -12.959 1.00 0.00 WT1 H ATOM 9781 OH2 TIP3 2370 -2.895 -0.865 -2.623 1.00 0.00 WT1 O ATOM 9782 H1 TIP3 2370 -4.035 -14.540 -0.568 1.00 0.00 WT1 H ATOM 9783 H2 TIP3 2370 0.628 7.743 4.881 1.00 0.00 WT1 H ATOM 9784 OH2 TIP3 2371 -3.245 0.297 0.312 1.00 0.00 WT1 O ATOM 9785 H1 TIP3 2371 0.567 -5.010 2.473 1.00 0.00 WT1 H ATOM 9786 H2 TIP3 2371 -5.377 -20.478 -8.207 1.00 0.00 WT1 H ATOM 9787 OH2 TIP3 2372 -0.440 -5.205 -1.849 1.00 0.00 WT1 O ATOM 9788 H1 TIP3 2372 -8.586 -11.331 -6.314 1.00 0.00 WT1 H ATOM 9789 H2 TIP3 2372 2.511 -0.532 2.894 1.00 0.00 WT1 H ATOM 9790 OH2 TIP3 2373 -0.148 -7.027 -0.630 1.00 0.00 WT1 O ATOM 9791 H1 TIP3 2373 -1.906 -2.529 -2.479 1.00 0.00 WT1 H ATOM 9792 H2 TIP3 2373 3.600 -12.970 4.099 1.00 0.00 WT1 H ATOM 9793 OH2 TIP3 2374 0.502 -0.912 0.636 1.00 0.00 WT1 O ATOM 9794 H1 TIP3 2374 20.276 -8.281 13.814 1.00 0.00 WT1 H ATOM 9795 H2 TIP3 2374 4.942 16.106 19.896 1.00 0.00 WT1 H ATOM 9796 OH2 TIP3 2375 3.075 -11.281 1.450 1.00 0.00 WT1 O ATOM 9797 H1 TIP3 2375 1.245 -16.897 5.902 1.00 0.00 WT1 H ATOM 9798 H2 TIP3 2375 -12.905 -19.677 10.689 1.00 0.00 WT1 H ATOM 9799 OH2 TIP3 2376 2.654 4.621 -3.889 1.00 0.00 WT1 O ATOM 9800 H1 TIP3 2376 -11.859 6.434 -7.599 1.00 0.00 WT1 H ATOM 9801 H2 TIP3 2376 2.498 17.219 -21.717 1.00 0.00 WT1 H ATOM 9802 OH2 TIP3 2377 0.802 2.080 6.109 1.00 0.00 WT1 O ATOM 9803 H1 TIP3 2377 -0.804 2.737 5.147 1.00 0.00 WT1 H ATOM 9804 H2 TIP3 2377 0.112 1.704 6.058 1.00 0.00 WT1 H ATOM 9805 OH2 TIP3 2379 4.203 -6.920 1.370 1.00 0.00 WT1 O ATOM 9806 H1 TIP3 2379 0.909 -17.902 0.347 1.00 0.00 WT1 H ATOM 9807 H2 TIP3 2379 0.700 -4.182 4.877 1.00 0.00 WT1 H ATOM 9808 OH2 TIP3 2380 -1.415 6.125 -3.345 1.00 0.00 WT1 O ATOM 9809 H1 TIP3 2380 6.737 18.690 0.608 1.00 0.00 WT1 H ATOM 9810 H2 TIP3 2380 -11.388 -3.914 -6.049 1.00 0.00 WT1 H ATOM 9811 OH2 TIP3 2381 2.990 7.937 -6.072 1.00 0.00 WT1 O ATOM 9812 H1 TIP3 2381 3.333 -5.518 -19.269 1.00 0.00 WT1 H ATOM 9813 H2 TIP3 2381 3.192 8.724 -3.221 1.00 0.00 WT1 H ATOM 9814 OH2 TIP3 2382 -1.408 -3.362 -2.958 1.00 0.00 WT1 O ATOM 9815 H1 TIP3 2382 -1.226 -14.408 -13.980 1.00 0.00 WT1 H ATOM 9816 H2 TIP3 2382 3.948 7.865 -18.759 1.00 0.00 WT1 H ATOM 9817 OH2 TIP3 2383 -2.961 2.307 -3.555 1.00 0.00 WT1 O ATOM 9818 H1 TIP3 2383 13.622 0.039 3.743 1.00 0.00 WT1 H ATOM 9819 H2 TIP3 2383 7.279 4.529 -2.770 1.00 0.00 WT1 H ATOM 9820 OH2 TIP3 2384 -0.258 9.891 4.517 1.00 0.00 WT1 O ATOM 9821 H1 TIP3 2384 21.016 -20.107 -27.750 1.00 0.00 WT1 H ATOM 9822 H2 TIP3 2384 -16.074 -15.240 8.344 1.00 0.00 WT1 H ATOM 9823 OH2 TIP3 2385 1.265 2.117 -7.342 1.00 0.00 WT1 O ATOM 9824 H1 TIP3 2385 -12.691 13.006 -19.727 1.00 0.00 WT1 H ATOM 9825 H2 TIP3 2385 8.712 12.642 3.206 1.00 0.00 WT1 H ATOM 9826 OH2 TIP3 2386 -2.229 2.075 0.688 1.00 0.00 WT1 O ATOM 9827 H1 TIP3 2386 -9.588 1.488 -11.467 1.00 0.00 WT1 H ATOM 9828 H2 TIP3 2386 -14.465 -1.036 -14.119 1.00 0.00 WT1 H ATOM 9829 OH2 TIP3 2387 -4.267 -2.992 -3.972 1.00 0.00 WT1 O ATOM 9830 H1 TIP3 2387 -12.430 -19.134 13.768 1.00 0.00 WT1 H ATOM 9831 H2 TIP3 2387 -16.368 -15.138 11.876 1.00 0.00 WT1 H ATOM 9832 OH2 TIP3 2389 1.267 -7.444 3.089 1.00 0.00 WT1 O ATOM 9833 H1 TIP3 2389 -10.587 -16.788 12.154 1.00 0.00 WT1 H ATOM 9834 H2 TIP3 2389 5.559 5.084 11.218 1.00 0.00 WT1 H ATOM 9835 OH2 TIP3 2390 2.796 0.132 -2.069 1.00 0.00 WT1 O ATOM 9836 H1 TIP3 2390 2.656 -15.309 16.974 1.00 0.00 WT1 H ATOM 9837 H2 TIP3 2390 1.654 -23.276 -5.357 1.00 0.00 WT1 H ATOM 9838 OH2 TIP3 2391 -0.789 0.587 4.571 1.00 0.00 WT1 O ATOM 9839 H1 TIP3 2391 7.995 -1.591 -0.315 1.00 0.00 WT1 H ATOM 9840 H2 TIP3 2391 -0.393 21.831 -8.934 1.00 0.00 WT1 H ATOM 9841 OH2 TIP3 2392 -6.552 0.689 13.685 1.00 0.00 WT1 O ATOM 9842 H1 TIP3 2392 -12.334 -16.539 12.219 1.00 0.00 WT1 H ATOM 9843 H2 TIP3 2392 -6.596 6.642 -4.428 1.00 0.00 WT1 H ATOM 9844 OH2 TIP3 2393 4.347 8.793 4.527 1.00 0.00 WT1 O ATOM 9845 H1 TIP3 2393 -3.232 -2.844 3.576 1.00 0.00 WT1 H ATOM 9846 H2 TIP3 2393 22.539 -20.069 -0.758 1.00 0.00 WT1 H ATOM 9847 OH2 TIP3 2394 1.889 -5.521 -3.169 1.00 0.00 WT1 O ATOM 9848 H1 TIP3 2394 -3.057 19.903 36.410 1.00 0.00 WT1 H ATOM 9849 H2 TIP3 2394 -0.226 -7.405 -4.376 1.00 0.00 WT1 H ATOM 9850 OH2 TIP3 2395 -2.189 -1.295 4.128 1.00 0.00 WT1 O ATOM 9851 H1 TIP3 2395 -7.331 1.615 -13.495 1.00 0.00 WT1 H ATOM 9852 H2 TIP3 2395 -5.484 -4.269 10.430 1.00 0.00 WT1 H ATOM 9853 OH2 TIP3 2396 2.605 -1.821 -0.101 1.00 0.00 WT1 O ATOM 9854 H1 TIP3 2396 1.406 -8.191 -2.817 1.00 0.00 WT1 H ATOM 9855 H2 TIP3 2396 3.396 -4.565 -2.394 1.00 0.00 WT1 H ATOM 9856 OH2 TIP3 2397 -5.151 1.178 -4.139 1.00 0.00 WT1 O ATOM 9857 H1 TIP3 2397 -0.981 0.401 6.483 1.00 0.00 WT1 H ATOM 9858 H2 TIP3 2397 -0.866 -13.792 11.085 1.00 0.00 WT1 H ATOM 9859 OH2 TIP3 2398 0.530 -0.634 2.066 1.00 0.00 WT1 O ATOM 9860 H1 TIP3 2398 -5.617 -5.179 -1.217 1.00 0.00 WT1 H ATOM 9861 H2 TIP3 2398 1.665 -7.735 1.130 1.00 0.00 WT1 H ATOM 9862 OH2 TIP3 2399 -4.798 -3.487 -2.011 1.00 0.00 WT1 O ATOM 9863 H1 TIP3 2399 4.426 -14.214 25.459 1.00 0.00 WT1 H ATOM 9864 H2 TIP3 2399 5.855 -3.556 17.614 1.00 0.00 WT1 H ATOM 9865 OH2 TIP3 2400 -0.897 -0.810 3.967 1.00 0.00 WT1 O ATOM 9866 H1 TIP3 2400 6.825 3.895 8.056 1.00 0.00 WT1 H ATOM 9867 H2 TIP3 2400 4.169 8.602 4.351 1.00 0.00 WT1 H ATOM 9868 OH2 TIP3 2401 -1.055 2.270 2.808 1.00 0.00 WT1 O ATOM 9869 H1 TIP3 2401 -6.698 -3.375 13.638 1.00 0.00 WT1 H ATOM 9870 H2 TIP3 2401 7.331 -1.963 -0.998 1.00 0.00 WT1 H ATOM 9871 OH2 TIP3 2402 5.111 2.889 -0.327 1.00 0.00 WT1 O ATOM 9872 H1 TIP3 2402 12.752 5.307 10.503 1.00 0.00 WT1 H ATOM 9873 H2 TIP3 2402 -10.929 5.885 3.108 1.00 0.00 WT1 H ATOM 9874 OH2 TIP3 2403 0.938 7.007 -1.227 1.00 0.00 WT1 O ATOM 9875 H1 TIP3 2403 -8.360 16.324 -5.232 1.00 0.00 WT1 H ATOM 9876 H2 TIP3 2403 -5.587 12.982 -0.530 1.00 0.00 WT1 H ATOM 9877 OH2 TIP3 2404 -3.714 5.148 -2.761 1.00 0.00 WT1 O ATOM 9878 H1 TIP3 2404 -15.979 -15.130 11.517 1.00 0.00 WT1 H ATOM 9879 H2 TIP3 2404 -16.733 2.396 -18.328 1.00 0.00 WT1 H ATOM 9880 OH2 TIP3 2405 -1.835 6.073 2.006 1.00 0.00 WT1 O ATOM 9881 H1 TIP3 2405 6.684 -0.184 1.008 1.00 0.00 WT1 H ATOM 9882 H2 TIP3 2405 -12.683 7.442 3.496 1.00 0.00 WT1 H ATOM 9883 OH2 TIP3 2406 -0.873 -2.653 -1.605 1.00 0.00 WT1 O ATOM 9884 H1 TIP3 2406 17.337 0.172 5.227 1.00 0.00 WT1 H ATOM 9885 H2 TIP3 2406 13.288 -3.390 16.292 1.00 0.00 WT1 H ATOM 9886 OH2 TIP3 2407 -2.852 -8.697 5.587 1.00 0.00 WT1 O ATOM 9887 H1 TIP3 2407 22.595 -23.395 34.441 1.00 0.00 WT1 H ATOM 9888 H2 TIP3 2407 15.468 -5.234 8.972 1.00 0.00 WT1 H ATOM 9889 OH2 TIP3 2408 -2.715 9.197 2.986 1.00 0.00 WT1 O ATOM 9890 H1 TIP3 2408 2.208 7.063 -21.169 1.00 0.00 WT1 H ATOM 9891 H2 TIP3 2408 -22.842 2.194 3.306 1.00 0.00 WT1 H ATOM 9892 OH2 TIP3 2409 5.528 0.993 3.345 1.00 0.00 WT1 O ATOM 9893 H1 TIP3 2409 -11.395 13.866 5.155 1.00 0.00 WT1 H ATOM 9894 H2 TIP3 2409 19.441 -4.519 -15.709 1.00 0.00 WT1 H ATOM 9895 OH2 TIP3 2410 1.851 -2.591 2.863 1.00 0.00 WT1 O ATOM 9896 H1 TIP3 2410 11.545 -4.920 18.826 1.00 0.00 WT1 H ATOM 9897 H2 TIP3 2410 -3.474 10.636 10.138 1.00 0.00 WT1 H ATOM 9898 OH2 TIP3 2411 -3.487 0.757 1.189 1.00 0.00 WT1 O ATOM 9899 H1 TIP3 2411 -11.085 -5.725 7.173 1.00 0.00 WT1 H ATOM 9900 H2 TIP3 2411 -3.816 -0.861 -4.824 1.00 0.00 WT1 H ATOM 9901 OH2 TIP3 2412 -3.529 -3.787 -2.480 1.00 0.00 WT1 O ATOM 9902 H1 TIP3 2412 -21.302 13.535 -31.246 1.00 0.00 WT1 H ATOM 9903 H2 TIP3 2412 -11.577 -7.105 10.476 1.00 0.00 WT1 H ATOM 9904 OH2 TIP3 2413 -8.131 -3.352 -0.266 1.00 0.00 WT1 O ATOM 9905 H1 TIP3 2413 -0.593 -18.829 13.892 1.00 0.00 WT1 H ATOM 9906 H2 TIP3 2413 -15.699 1.792 6.594 1.00 0.00 WT1 H ATOM 9907 OH2 TIP3 2414 4.926 -3.113 1.386 1.00 0.00 WT1 O ATOM 9908 H1 TIP3 2414 -33.616 -4.066 12.724 1.00 0.00 WT1 H ATOM 9909 H2 TIP3 2414 -26.305 -12.870 -7.083 1.00 0.00 WT1 H ATOM 9910 OH2 TIP3 2415 3.806 -5.472 -6.008 1.00 0.00 WT1 O ATOM 9911 H1 TIP3 2415 6.317 6.611 -14.914 1.00 0.00 WT1 H ATOM 9912 H2 TIP3 2415 2.970 -4.402 1.876 1.00 0.00 WT1 H ATOM 9913 OH2 TIP3 2416 0.550 -0.866 -1.543 1.00 0.00 WT1 O ATOM 9914 H1 TIP3 2416 11.346 -15.312 14.063 1.00 0.00 WT1 H ATOM 9915 H2 TIP3 2416 36.992 -9.260 -29.996 1.00 0.00 WT1 H ATOM 9916 OH2 TIP3 2417 -3.930 1.563 -3.578 1.00 0.00 WT1 O ATOM 9917 H1 TIP3 2417 5.685 1.960 -29.708 1.00 0.00 WT1 H ATOM 9918 H2 TIP3 2417 -2.409 -6.958 -3.076 1.00 0.00 WT1 H ATOM 9919 OH2 TIP3 2418 7.304 -4.395 -2.519 1.00 0.00 WT1 O ATOM 9920 H1 TIP3 2418 -13.711 14.649 3.650 1.00 0.00 WT1 H ATOM 9921 H2 TIP3 2418 -10.772 18.960 28.123 1.00 0.00 WT1 H ATOM 9922 OH2 TIP3 2419 -1.772 -2.655 4.434 1.00 0.00 WT1 O ATOM 9923 H1 TIP3 2419 -3.781 2.708 -2.075 1.00 0.00 WT1 H ATOM 9924 H2 TIP3 2419 18.040 15.285 -4.579 1.00 0.00 WT1 H ATOM 9925 OH2 TIP3 2420 -9.503 2.715 -3.368 1.00 0.00 WT1 O ATOM 9926 H1 TIP3 2420 2.123 -5.927 -9.370 1.00 0.00 WT1 H ATOM 9927 H2 TIP3 2420 1.188 -9.484 -12.779 1.00 0.00 WT1 H ATOM 9928 OH2 TIP3 2421 0.897 0.775 10.328 1.00 0.00 WT1 O ATOM 9929 H1 TIP3 2421 -30.664 -13.369 -4.763 1.00 0.00 WT1 H ATOM 9930 H2 TIP3 2421 -21.138 -7.219 -2.726 1.00 0.00 WT1 H ATOM 9931 OH2 TIP3 2422 5.845 -4.987 -0.787 1.00 0.00 WT1 O ATOM 9932 H1 TIP3 2422 -11.539 25.462 18.986 1.00 0.00 WT1 H ATOM 9933 H2 TIP3 2422 -1.440 10.089 -3.697 1.00 0.00 WT1 H ATOM 9934 OH2 TIP3 2423 -0.575 4.125 -5.332 1.00 0.00 WT1 O ATOM 9935 H1 TIP3 2423 -17.665 -8.329 -16.242 1.00 0.00 WT1 H ATOM 9936 H2 TIP3 2423 -12.619 -17.040 9.956 1.00 0.00 WT1 H ATOM 9937 OH2 TIP3 2425 4.574 -7.653 0.567 1.00 0.00 WT1 O ATOM 9938 H1 TIP3 2425 5.645 0.717 7.846 1.00 0.00 WT1 H ATOM 9939 H2 TIP3 2425 1.490 -3.672 -10.341 1.00 0.00 WT1 H ATOM 9940 OH2 TIP3 2426 -3.224 -0.621 0.387 1.00 0.00 WT1 O ATOM 9941 H1 TIP3 2426 -10.185 1.332 0.788 1.00 0.00 WT1 H ATOM 9942 H2 TIP3 2426 27.409 -25.752 27.171 1.00 0.00 WT1 H ATOM 9943 OH2 TIP3 2427 -0.591 -1.326 4.442 1.00 0.00 WT1 O ATOM 9944 H1 TIP3 2427 -20.571 -16.088 24.793 1.00 0.00 WT1 H ATOM 9945 H2 TIP3 2427 18.699 -9.920 -25.108 1.00 0.00 WT1 H ATOM 9946 OH2 TIP3 2429 -4.282 -3.305 -3.839 1.00 0.00 WT1 O ATOM 9947 H1 TIP3 2429 -9.351 9.808 -11.028 1.00 0.00 WT1 H ATOM 9948 H2 TIP3 2429 -2.571 -9.356 -6.147 1.00 0.00 WT1 H ATOM 9949 OH2 TIP3 2430 -2.554 0.554 3.400 1.00 0.00 WT1 O ATOM 9950 H1 TIP3 2430 -8.035 0.810 -1.043 1.00 0.00 WT1 H ATOM 9951 H2 TIP3 2430 -0.829 -6.994 4.434 1.00 0.00 WT1 H ATOM 9952 OH2 TIP3 2431 -3.170 -2.704 -1.676 1.00 0.00 WT1 O ATOM 9953 H1 TIP3 2431 3.266 9.559 -4.480 1.00 0.00 WT1 H ATOM 9954 H2 TIP3 2431 -7.999 -14.433 0.394 1.00 0.00 WT1 H ATOM 9955 OH2 TIP3 2432 1.703 2.215 5.250 1.00 0.00 WT1 O ATOM 9956 H1 TIP3 2432 -2.384 11.096 -5.453 1.00 0.00 WT1 H ATOM 9957 H2 TIP3 2432 4.659 -2.667 13.122 1.00 0.00 WT1 H ATOM 9958 OH2 TIP3 2433 0.464 -6.215 -3.443 1.00 0.00 WT1 O ATOM 9959 H1 TIP3 2433 -1.114 -3.284 -7.701 1.00 0.00 WT1 H ATOM 9960 H2 TIP3 2433 -3.760 -5.308 0.613 1.00 0.00 WT1 H ATOM 9961 OH2 TIP3 2434 0.047 8.517 6.794 1.00 0.00 WT1 O ATOM 9962 H1 TIP3 2434 11.072 9.327 6.419 1.00 0.00 WT1 H ATOM 9963 H2 TIP3 2434 3.893 -2.647 10.178 1.00 0.00 WT1 H ATOM 9964 OH2 TIP3 2435 -0.323 -0.175 -3.182 1.00 0.00 WT1 O ATOM 9965 H1 TIP3 2435 -0.551 -9.317 -20.997 1.00 0.00 WT1 H ATOM 9966 H2 TIP3 2435 4.644 -3.095 -3.032 1.00 0.00 WT1 H ATOM 9967 OH2 TIP3 2436 3.105 1.021 2.850 1.00 0.00 WT1 O ATOM 9968 H1 TIP3 2436 -2.341 10.453 4.385 1.00 0.00 WT1 H ATOM 9969 H2 TIP3 2436 11.063 6.587 -7.536 1.00 0.00 WT1 H ATOM 9970 OH2 TIP3 2437 2.943 -2.789 4.251 1.00 0.00 WT1 O ATOM 9971 H1 TIP3 2437 23.246 -8.263 18.246 1.00 0.00 WT1 H ATOM 9972 H2 TIP3 2437 23.213 9.995 3.898 1.00 0.00 WT1 H ATOM 9973 OH2 TIP3 2438 1.084 -3.696 1.330 1.00 0.00 WT1 O ATOM 9974 H1 TIP3 2438 1.080 6.170 -1.041 1.00 0.00 WT1 H ATOM 9975 H2 TIP3 2438 25.236 5.244 8.810 1.00 0.00 WT1 H ATOM 9976 OH2 TIP3 2439 -1.077 3.365 -5.510 1.00 0.00 WT1 O ATOM 9977 H1 TIP3 2439 18.634 -3.092 9.511 1.00 0.00 WT1 H ATOM 9978 H2 TIP3 2439 -11.915 14.111 11.905 1.00 0.00 WT1 H ATOM 9979 OH2 TIP3 2440 4.132 4.881 -2.929 1.00 0.00 WT1 O ATOM 9980 H1 TIP3 2440 -19.888 -1.365 -11.097 1.00 0.00 WT1 H ATOM 9981 H2 TIP3 2440 7.767 10.263 15.581 1.00 0.00 WT1 H ATOM 9982 OH2 TIP3 2441 -6.047 -2.911 1.502 1.00 0.00 WT1 O ATOM 9983 H1 TIP3 2441 -15.502 -15.881 27.179 1.00 0.00 WT1 H ATOM 9984 H2 TIP3 2441 -30.678 2.669 -15.762 1.00 0.00 WT1 H ATOM 9985 OH2 TIP3 2442 2.935 -0.144 -1.647 1.00 0.00 WT1 O ATOM 9986 H1 TIP3 2442 -12.808 -13.918 9.798 1.00 0.00 WT1 H ATOM 9987 H2 TIP3 2442 15.676 -12.749 -14.264 1.00 0.00 WT1 H ATOM 9988 OH2 TIP3 2443 4.536 1.900 0.388 1.00 0.00 WT1 O ATOM 9989 H1 TIP3 2443 5.346 8.791 2.469 1.00 0.00 WT1 H ATOM 9990 H2 TIP3 2443 4.104 -38.616 -12.709 1.00 0.00 WT1 H ATOM 9991 OH2 TIP3 2444 3.997 2.694 3.172 1.00 0.00 WT1 O ATOM 9992 H1 TIP3 2444 -19.050 -3.602 4.025 1.00 0.00 WT1 H ATOM 9993 H2 TIP3 2444 3.028 -6.637 -2.026 1.00 0.00 WT1 H ATOM 9994 OH2 TIP3 2447 -2.153 4.765 -2.937 1.00 0.00 WT1 O ATOM 9995 H1 TIP3 2447 -24.566 11.694 16.496 1.00 0.00 WT1 H ATOM 9996 H2 TIP3 2447 -2.689 -5.930 7.673 1.00 0.00 WT1 H ATOM 9997 OH2 TIP3 2449 1.867 5.449 -1.425 1.00 0.00 WT1 O ATOM 9998 H1 TIP3 2449 12.989 10.823 5.858 1.00 0.00 WT1 H ATOM 9999 H2 TIP3 2449 6.659 8.454 -15.038 1.00 0.00 WT1 H ATOM 10000 OH2 TIP3 2451 1.913 -7.757 -3.917 1.00 0.00 WT1 O ATOM 10001 H1 TIP3 2451 8.422 -8.708 -6.601 1.00 0.00 WT1 H ATOM 10002 H2 TIP3 2451 16.422 -4.245 -22.090 1.00 0.00 WT1 H ATOM 10003 OH2 TIP3 2453 2.217 3.010 3.828 1.00 0.00 WT1 O ATOM 10004 H1 TIP3 2453 -0.790 -2.708 -13.994 1.00 0.00 WT1 H ATOM 10005 H2 TIP3 2453 6.486 9.581 1.507 1.00 0.00 WT1 H ATOM 10006 OH2 TIP3 2455 -0.585 -5.634 0.692 1.00 0.00 WT1 O ATOM 10007 H1 TIP3 2455 0.913 -9.818 -0.818 1.00 0.00 WT1 H ATOM 10008 H2 TIP3 2455 1.619 6.374 16.978 1.00 0.00 WT1 H ATOM 10009 OH2 TIP3 2456 3.126 -0.212 -5.104 1.00 0.00 WT1 O ATOM 10010 H1 TIP3 2456 -4.279 7.111 13.053 1.00 0.00 WT1 H ATOM 10011 H2 TIP3 2456 -7.277 -0.179 -15.757 1.00 0.00 WT1 H ATOM 10012 OH2 TIP3 2457 -2.949 -1.011 4.491 1.00 0.00 WT1 O ATOM 10013 H1 TIP3 2457 -1.820 8.238 6.637 1.00 0.00 WT1 H ATOM 10014 H2 TIP3 2457 -3.249 -13.815 4.459 1.00 0.00 WT1 H ATOM 10015 OH2 TIP3 2458 0.457 -1.011 4.454 1.00 0.00 WT1 O ATOM 10016 H1 TIP3 2458 3.763 -0.507 3.586 1.00 0.00 WT1 H ATOM 10017 H2 TIP3 2458 -17.109 -9.582 -23.971 1.00 0.00 WT1 H ATOM 10018 OH2 TIP3 2459 3.000 4.864 -2.509 1.00 0.00 WT1 O ATOM 10019 H1 TIP3 2459 -1.090 -8.127 25.666 1.00 0.00 WT1 H ATOM 10020 H2 TIP3 2459 6.804 7.033 -13.681 1.00 0.00 WT1 H ATOM 10021 OH2 TIP3 2460 7.539 4.837 7.535 1.00 0.00 WT1 O ATOM 10022 H1 TIP3 2460 18.381 6.676 25.933 1.00 0.00 WT1 H ATOM 10023 H2 TIP3 2460 2.963 6.140 -7.517 1.00 0.00 WT1 H ATOM 10024 OH2 TIP3 2461 -4.265 4.003 -2.349 1.00 0.00 WT1 O ATOM 10025 H1 TIP3 2461 -2.049 -6.878 -9.787 1.00 0.00 WT1 H ATOM 10026 H2 TIP3 2461 2.572 0.320 18.503 1.00 0.00 WT1 H ATOM 10027 OH2 TIP3 2462 -2.380 0.630 -0.622 1.00 0.00 WT1 O ATOM 10028 H1 TIP3 2462 5.115 -3.987 17.300 1.00 0.00 WT1 H ATOM 10029 H2 TIP3 2462 -6.010 6.430 -10.600 1.00 0.00 WT1 H ATOM 10030 OH2 TIP3 2463 -0.141 -1.204 -1.401 1.00 0.00 WT1 O ATOM 10031 H1 TIP3 2463 -5.416 6.978 21.188 1.00 0.00 WT1 H ATOM 10032 H2 TIP3 2463 -4.422 4.647 19.707 1.00 0.00 WT1 H ATOM 10033 OH2 TIP3 2464 1.491 -2.085 -0.265 1.00 0.00 WT1 O ATOM 10034 H1 TIP3 2464 -6.369 12.600 13.696 1.00 0.00 WT1 H ATOM 10035 H2 TIP3 2464 11.510 -9.131 -15.154 1.00 0.00 WT1 H ATOM 10036 OH2 TIP3 2465 1.006 2.007 6.840 1.00 0.00 WT1 O ATOM 10037 H1 TIP3 2465 -15.992 -8.402 3.605 1.00 0.00 WT1 H ATOM 10038 H2 TIP3 2465 -8.626 -17.639 3.302 1.00 0.00 WT1 H ATOM 10039 OH2 TIP3 2467 -1.843 -3.433 -0.500 1.00 0.00 WT1 O ATOM 10040 H1 TIP3 2467 12.559 -4.702 -1.501 1.00 0.00 WT1 H ATOM 10041 H2 TIP3 2467 -21.261 -0.428 -16.119 1.00 0.00 WT1 H ATOM 10042 OH2 TIP3 2468 -1.600 1.822 8.353 1.00 0.00 WT1 O ATOM 10043 H1 TIP3 2468 -5.210 -5.354 4.558 1.00 0.00 WT1 H ATOM 10044 H2 TIP3 2468 -6.666 -1.228 3.609 1.00 0.00 WT1 H ATOM 10045 OH2 TIP3 2469 0.600 -2.629 -4.010 1.00 0.00 WT1 O ATOM 10046 H1 TIP3 2469 -6.311 -7.105 -1.240 1.00 0.00 WT1 H ATOM 10047 H2 TIP3 2469 22.664 9.249 -12.570 1.00 0.00 WT1 H ATOM 10048 OH2 TIP3 2470 1.908 1.691 -6.681 1.00 0.00 WT1 O ATOM 10049 H1 TIP3 2470 7.201 16.183 -12.784 1.00 0.00 WT1 H ATOM 10050 H2 TIP3 2470 8.704 33.436 -5.785 1.00 0.00 WT1 H ATOM 10051 OH2 TIP3 2471 -6.968 -4.700 1.569 1.00 0.00 WT1 O ATOM 10052 H1 TIP3 2471 -6.151 -3.561 14.694 1.00 0.00 WT1 H ATOM 10053 H2 TIP3 2471 -11.362 15.842 -20.765 1.00 0.00 WT1 H ATOM 10054 OH2 TIP3 2472 3.520 5.247 -3.192 1.00 0.00 WT1 O ATOM 10055 H1 TIP3 2472 3.322 26.075 -4.377 1.00 0.00 WT1 H ATOM 10056 H2 TIP3 2472 3.757 -16.919 -4.430 1.00 0.00 WT1 H ATOM 10057 OH2 TIP3 2473 1.572 -2.776 -4.473 1.00 0.00 WT1 O ATOM 10058 H1 TIP3 2473 -0.193 10.920 -7.804 1.00 0.00 WT1 H ATOM 10059 H2 TIP3 2473 4.265 -2.794 -2.470 1.00 0.00 WT1 H ATOM 10060 OH2 TIP3 2474 -0.820 1.518 -4.582 1.00 0.00 WT1 O ATOM 10061 H1 TIP3 2474 18.917 -12.467 5.526 1.00 0.00 WT1 H ATOM 10062 H2 TIP3 2474 -37.206 -3.310 -9.240 1.00 0.00 WT1 H ATOM 10063 OH2 TIP3 2475 -3.390 7.262 7.353 1.00 0.00 WT1 O ATOM 10064 H1 TIP3 2475 3.354 8.721 -5.624 1.00 0.00 WT1 H ATOM 10065 H2 TIP3 2475 6.519 7.740 20.409 1.00 0.00 WT1 H ATOM 10066 OH2 TIP3 2476 2.953 -1.012 1.353 1.00 0.00 WT1 O ATOM 10067 H1 TIP3 2476 -16.743 15.178 11.964 1.00 0.00 WT1 H ATOM 10068 H2 TIP3 2476 -2.402 -14.949 -14.556 1.00 0.00 WT1 H ATOM 10069 OH2 TIP3 2479 4.334 -1.563 0.718 1.00 0.00 WT1 O ATOM 10070 H1 TIP3 2479 1.826 45.482 -13.395 1.00 0.00 WT1 H ATOM 10071 H2 TIP3 2479 3.886 4.303 -1.008 1.00 0.00 WT1 H ATOM 10072 OH2 TIP3 2480 -7.062 3.565 5.198 1.00 0.00 WT1 O ATOM 10073 H1 TIP3 2480 -2.870 -8.100 -1.880 1.00 0.00 WT1 H ATOM 10074 H2 TIP3 2480 7.070 13.807 3.252 1.00 0.00 WT1 H ATOM 10075 OH2 TIP3 2481 2.516 4.079 -7.621 1.00 0.00 WT1 O ATOM 10076 H1 TIP3 2481 2.933 -10.263 5.442 1.00 0.00 WT1 H ATOM 10077 H2 TIP3 2481 -6.169 12.982 -6.769 1.00 0.00 WT1 H ATOM 10078 OH2 TIP3 2482 -3.767 -5.771 0.410 1.00 0.00 WT1 O ATOM 10079 H1 TIP3 2482 0.276 -5.844 1.349 1.00 0.00 WT1 H ATOM 10080 H2 TIP3 2482 3.446 -10.675 -0.027 1.00 0.00 WT1 H ATOM 10081 OH2 TIP3 2483 -1.483 -4.401 -5.834 1.00 0.00 WT1 O ATOM 10082 H1 TIP3 2483 2.991 2.759 -5.626 1.00 0.00 WT1 H ATOM 10083 H2 TIP3 2483 -7.566 -2.959 -0.511 1.00 0.00 WT1 H ATOM 10084 OH2 TIP3 2484 3.345 -2.347 -0.063 1.00 0.00 WT1 O ATOM 10085 H1 TIP3 2484 -5.789 -9.403 -0.685 1.00 0.00 WT1 H ATOM 10086 H2 TIP3 2484 23.477 10.142 20.287 1.00 0.00 WT1 H ATOM 10087 OH2 TIP3 2487 2.281 0.097 5.925 1.00 0.00 WT1 O ATOM 10088 H1 TIP3 2487 5.348 -2.510 -5.199 1.00 0.00 WT1 H ATOM 10089 H2 TIP3 2487 -8.783 -10.476 11.619 1.00 0.00 WT1 H ATOM 10090 OH2 TIP3 2488 1.835 3.263 -3.877 1.00 0.00 WT1 O ATOM 10091 H1 TIP3 2488 -2.022 -19.301 -9.415 1.00 0.00 WT1 H ATOM 10092 H2 TIP3 2488 -1.523 18.765 -1.123 1.00 0.00 WT1 H ATOM 10093 OH2 TIP3 2489 -1.582 -3.039 -3.826 1.00 0.00 WT1 O ATOM 10094 H1 TIP3 2489 -11.394 -8.743 -6.315 1.00 0.00 WT1 H ATOM 10095 H2 TIP3 2489 15.694 8.868 0.324 1.00 0.00 WT1 H ATOM 10096 OH2 TIP3 2492 9.970 -0.419 3.948 1.00 0.00 WT1 O ATOM 10097 H1 TIP3 2492 -6.801 -8.183 -7.525 1.00 0.00 WT1 H ATOM 10098 H2 TIP3 2492 4.555 -0.538 -8.419 1.00 0.00 WT1 H ATOM 10099 OH2 TIP3 2493 4.204 4.656 3.750 1.00 0.00 WT1 O ATOM 10100 H1 TIP3 2493 11.501 -0.154 13.267 1.00 0.00 WT1 H ATOM 10101 H2 TIP3 2493 -6.892 14.727 4.620 1.00 0.00 WT1 H ATOM 10102 OH2 TIP3 2494 1.775 2.052 -1.974 1.00 0.00 WT1 O ATOM 10103 H1 TIP3 2494 -0.831 16.028 6.528 1.00 0.00 WT1 H ATOM 10104 H2 TIP3 2494 -1.930 -7.520 -1.320 1.00 0.00 WT1 H ATOM 10105 OH2 TIP3 2495 3.138 -8.686 0.589 1.00 0.00 WT1 O ATOM 10106 H1 TIP3 2495 2.323 -18.323 -13.074 1.00 0.00 WT1 H ATOM 10107 H2 TIP3 2495 14.154 -8.675 20.519 1.00 0.00 WT1 H ATOM 10108 OH2 TIP3 2496 -4.613 -5.275 -7.298 1.00 0.00 WT1 O ATOM 10109 H1 TIP3 2496 -11.830 -0.492 0.973 1.00 0.00 WT1 H ATOM 10110 H2 TIP3 2496 1.052 -8.847 -4.464 1.00 0.00 WT1 H ATOM 10111 OH2 TIP3 2497 5.494 -5.266 4.209 1.00 0.00 WT1 O ATOM 10112 H1 TIP3 2497 -3.638 -10.952 9.315 1.00 0.00 WT1 H ATOM 10113 H2 TIP3 2497 8.384 -11.030 -5.650 1.00 0.00 WT1 H ATOM 10114 OH2 TIP3 2498 1.838 -4.263 -0.868 1.00 0.00 WT1 O ATOM 10115 H1 TIP3 2498 -2.557 0.616 2.920 1.00 0.00 WT1 H ATOM 10116 H2 TIP3 2498 2.326 15.565 -22.193 1.00 0.00 WT1 H ATOM 10117 OH2 TIP3 2499 0.445 -4.894 -1.239 1.00 0.00 WT1 O ATOM 10118 H1 TIP3 2499 -9.052 3.401 -12.500 1.00 0.00 WT1 H ATOM 10119 H2 TIP3 2499 16.108 -17.349 17.146 1.00 0.00 WT1 H ATOM 10120 OH2 TIP3 2500 2.670 4.368 3.382 1.00 0.00 WT1 O ATOM 10121 H1 TIP3 2500 18.695 32.440 -3.983 1.00 0.00 WT1 H ATOM 10122 H2 TIP3 2500 -5.948 -6.742 9.172 1.00 0.00 WT1 H ATOM 10123 OH2 TIP3 2501 -0.566 -1.711 -4.976 1.00 0.00 WT1 O ATOM 10124 H1 TIP3 2501 -39.986 -11.319 0.075 1.00 0.00 WT1 H ATOM 10125 H2 TIP3 2501 8.308 -26.165 10.709 1.00 0.00 WT1 H ATOM 10126 OH2 TIP3 2502 3.836 2.242 5.818 1.00 0.00 WT1 O ATOM 10127 H1 TIP3 2502 3.728 1.019 -18.381 1.00 0.00 WT1 H ATOM 10128 H2 TIP3 2502 -33.018 -19.231 6.330 1.00 0.00 WT1 H ATOM 10129 OH2 TIP3 2503 -4.780 -8.673 -0.027 1.00 0.00 WT1 O ATOM 10130 H1 TIP3 2503 7.217 13.785 -11.337 1.00 0.00 WT1 H ATOM 10131 H2 TIP3 2503 -7.384 -10.940 -25.180 1.00 0.00 WT1 H ATOM 10132 OH2 TIP3 2505 -0.594 2.180 -3.714 1.00 0.00 WT1 O ATOM 10133 H1 TIP3 2505 15.551 6.844 -9.482 1.00 0.00 WT1 H ATOM 10134 H2 TIP3 2505 7.013 -2.729 13.616 1.00 0.00 WT1 H ATOM 10135 OH2 TIP3 2506 -5.939 -5.323 1.125 1.00 0.00 WT1 O ATOM 10136 H1 TIP3 2506 9.360 -13.817 7.523 1.00 0.00 WT1 H ATOM 10137 H2 TIP3 2506 3.481 -4.297 -13.656 1.00 0.00 WT1 H ATOM 10138 OH2 TIP3 2508 1.556 3.305 -4.655 1.00 0.00 WT1 O ATOM 10139 H1 TIP3 2508 -4.984 7.252 29.803 1.00 0.00 WT1 H ATOM 10140 H2 TIP3 2508 11.070 -16.956 0.032 1.00 0.00 WT1 H ATOM 10141 OH2 TIP3 2510 -0.498 3.526 -2.539 1.00 0.00 WT1 O ATOM 10142 H1 TIP3 2510 0.662 2.999 -0.175 1.00 0.00 WT1 H ATOM 10143 H2 TIP3 2510 -5.067 20.824 -22.132 1.00 0.00 WT1 H ATOM 10144 OH2 TIP3 2511 -5.715 4.365 -1.556 1.00 0.00 WT1 O ATOM 10145 H1 TIP3 2511 -3.052 -2.425 -9.053 1.00 0.00 WT1 H ATOM 10146 H2 TIP3 2511 -1.987 10.829 22.359 1.00 0.00 WT1 H ATOM 10147 OH2 TIP3 2512 0.119 -5.369 -1.335 1.00 0.00 WT1 O ATOM 10148 H1 TIP3 2512 -6.678 -16.789 -28.692 1.00 0.00 WT1 H ATOM 10149 H2 TIP3 2512 -3.388 -5.682 -5.942 1.00 0.00 WT1 H ATOM 10150 OH2 TIP3 2515 -2.447 3.353 -0.382 1.00 0.00 WT1 O ATOM 10151 H1 TIP3 2515 16.413 -2.437 2.530 1.00 0.00 WT1 H ATOM 10152 H2 TIP3 2515 1.443 -11.180 5.871 1.00 0.00 WT1 H ATOM 10153 OH2 TIP3 2517 -2.017 -4.436 -0.658 1.00 0.00 WT1 O ATOM 10154 H1 TIP3 2517 -12.094 8.730 0.937 1.00 0.00 WT1 H ATOM 10155 H2 TIP3 2517 6.164 0.188 -16.031 1.00 0.00 WT1 H ATOM 10156 OH2 TIP3 2518 0.632 2.426 4.704 1.00 0.00 WT1 O ATOM 10157 H1 TIP3 2518 -0.252 1.534 -3.670 1.00 0.00 WT1 H ATOM 10158 H2 TIP3 2518 6.235 5.376 4.440 1.00 0.00 WT1 H ATOM 10159 OH2 TIP3 2519 6.318 12.873 -1.269 1.00 0.00 WT1 O ATOM 10160 H1 TIP3 2519 -18.567 -16.119 5.194 1.00 0.00 WT1 H ATOM 10161 H2 TIP3 2519 -20.661 44.483 -13.067 1.00 0.00 WT1 H ATOM 10162 OH2 TIP3 2521 -6.037 2.265 -0.322 1.00 0.00 WT1 O ATOM 10163 H1 TIP3 2521 -13.790 15.194 -3.088 1.00 0.00 WT1 H ATOM 10164 H2 TIP3 2521 13.087 5.339 -6.512 1.00 0.00 WT1 H ATOM 10165 OH2 TIP3 2522 -6.811 -4.618 7.333 1.00 0.00 WT1 O ATOM 10166 H1 TIP3 2522 -2.864 -6.250 18.800 1.00 0.00 WT1 H ATOM 10167 H2 TIP3 2522 -17.664 6.038 5.790 1.00 0.00 WT1 H ATOM 10168 OH2 TIP3 2523 0.684 -1.619 5.155 1.00 0.00 WT1 O ATOM 10169 H1 TIP3 2523 4.532 9.876 -13.272 1.00 0.00 WT1 H ATOM 10170 H2 TIP3 2523 -10.399 11.702 19.334 1.00 0.00 WT1 H ATOM 10171 OH2 TIP3 2525 0.516 -1.443 1.434 1.00 0.00 WT1 O ATOM 10172 H1 TIP3 2525 -22.928 -34.114 -10.691 1.00 0.00 WT1 H ATOM 10173 H2 TIP3 2525 0.833 14.145 -25.281 1.00 0.00 WT1 H ATOM 10174 OH2 TIP3 2526 1.257 -2.906 0.657 1.00 0.00 WT1 O ATOM 10175 H1 TIP3 2526 -27.108 -5.158 15.354 1.00 0.00 WT1 H ATOM 10176 H2 TIP3 2526 10.921 -3.057 -2.975 1.00 0.00 WT1 H ATOM 10177 OH2 TIP3 2527 -0.529 6.797 4.052 1.00 0.00 WT1 O ATOM 10178 H1 TIP3 2527 -11.700 -7.115 4.054 1.00 0.00 WT1 H ATOM 10179 H2 TIP3 2527 2.306 10.840 3.483 1.00 0.00 WT1 H ATOM 10180 OH2 TIP3 2528 0.712 -4.918 1.759 1.00 0.00 WT1 O ATOM 10181 H1 TIP3 2528 -15.295 -6.922 0.452 1.00 0.00 WT1 H ATOM 10182 H2 TIP3 2528 5.268 18.069 -4.071 1.00 0.00 WT1 H ATOM 10183 OH2 TIP3 2529 -0.149 7.157 -1.747 1.00 0.00 WT1 O ATOM 10184 H1 TIP3 2529 17.164 -4.635 -16.715 1.00 0.00 WT1 H ATOM 10185 H2 TIP3 2529 -15.292 12.466 -2.460 1.00 0.00 WT1 H ATOM 10186 OH2 TIP3 2530 1.411 0.470 -1.460 1.00 0.00 WT1 O ATOM 10187 H1 TIP3 2530 -5.065 2.413 0.767 1.00 0.00 WT1 H ATOM 10188 H2 TIP3 2530 7.809 -20.052 3.191 1.00 0.00 WT1 H ATOM 10189 OH2 TIP3 2532 -2.286 2.972 4.076 1.00 0.00 WT1 O ATOM 10190 H1 TIP3 2532 7.264 -14.002 2.725 1.00 0.00 WT1 H ATOM 10191 H2 TIP3 2532 -2.183 4.493 -11.567 1.00 0.00 WT1 H ATOM 10192 OH2 TIP3 2533 0.370 2.949 0.836 1.00 0.00 WT1 O ATOM 10193 H1 TIP3 2533 3.154 8.755 -12.514 1.00 0.00 WT1 H ATOM 10194 H2 TIP3 2533 23.334 -8.950 -2.071 1.00 0.00 WT1 H ATOM 10195 OH2 TIP3 2535 0.231 0.152 -1.866 1.00 0.00 WT1 O ATOM 10196 H1 TIP3 2535 -17.052 2.266 4.830 1.00 0.00 WT1 H ATOM 10197 H2 TIP3 2535 -10.481 8.765 -2.330 1.00 0.00 WT1 H ATOM 10198 OH2 TIP3 2536 8.416 -1.612 0.752 1.00 0.00 WT1 O ATOM 10199 H1 TIP3 2536 18.915 0.842 -4.203 1.00 0.00 WT1 H ATOM 10200 H2 TIP3 2536 16.464 -15.512 9.664 1.00 0.00 WT1 H ATOM 10201 OH2 TIP3 2537 1.214 5.016 1.666 1.00 0.00 WT1 O ATOM 10202 H1 TIP3 2537 3.680 9.043 -1.662 1.00 0.00 WT1 H ATOM 10203 H2 TIP3 2537 8.730 0.742 -19.808 1.00 0.00 WT1 H ATOM 10204 OH2 TIP3 2538 -1.225 -0.454 1.366 1.00 0.00 WT1 O ATOM 10205 H1 TIP3 2538 -15.801 13.609 6.902 1.00 0.00 WT1 H ATOM 10206 H2 TIP3 2538 -6.676 -14.601 -8.548 1.00 0.00 WT1 H ATOM 10207 OH2 TIP3 2539 6.684 -3.705 1.855 1.00 0.00 WT1 O ATOM 10208 H1 TIP3 2539 0.661 -38.645 -3.485 1.00 0.00 WT1 H ATOM 10209 H2 TIP3 2539 -14.340 -12.477 -15.924 1.00 0.00 WT1 H ATOM 10210 OH2 TIP3 2540 2.488 -2.370 -0.634 1.00 0.00 WT1 O ATOM 10211 H1 TIP3 2540 12.854 1.542 1.721 1.00 0.00 WT1 H ATOM 10212 H2 TIP3 2540 0.051 5.465 -10.076 1.00 0.00 WT1 H ATOM 10213 OH2 TIP3 2541 5.080 -1.627 -1.710 1.00 0.00 WT1 O ATOM 10214 H1 TIP3 2541 5.653 -7.017 -0.854 1.00 0.00 WT1 H ATOM 10215 H2 TIP3 2541 4.096 4.005 -1.325 1.00 0.00 WT1 H ATOM 10216 OH2 TIP3 2542 -1.916 -0.169 3.121 1.00 0.00 WT1 O ATOM 10217 H1 TIP3 2542 1.942 -3.920 -4.388 1.00 0.00 WT1 H ATOM 10218 H2 TIP3 2542 -7.871 6.206 12.342 1.00 0.00 WT1 H ATOM 10219 OH2 TIP3 2543 1.968 -0.615 -9.512 1.00 0.00 WT1 O ATOM 10220 H1 TIP3 2543 -9.046 -7.006 -3.760 1.00 0.00 WT1 H ATOM 10221 H2 TIP3 2543 9.322 3.564 -16.338 1.00 0.00 WT1 H ATOM 10222 OH2 TIP3 2544 10.793 -6.175 0.880 1.00 0.00 WT1 O ATOM 10223 H1 TIP3 2544 19.136 -17.901 -11.158 1.00 0.00 WT1 H ATOM 10224 H2 TIP3 2544 -4.474 20.129 9.828 1.00 0.00 WT1 H ATOM 10225 OH2 TIP3 2545 -3.634 0.158 0.449 1.00 0.00 WT1 O ATOM 10226 H1 TIP3 2545 1.296 5.253 8.839 1.00 0.00 WT1 H ATOM 10227 H2 TIP3 2545 11.355 4.381 4.173 1.00 0.00 WT1 H ATOM 10228 OH2 TIP3 2546 2.866 -0.808 -1.247 1.00 0.00 WT1 O ATOM 10229 H1 TIP3 2546 11.512 -15.299 -2.739 1.00 0.00 WT1 H ATOM 10230 H2 TIP3 2546 3.133 -0.041 3.635 1.00 0.00 WT1 H ATOM 10231 OH2 TIP3 2547 -0.378 0.920 -4.686 1.00 0.00 WT1 O ATOM 10232 H1 TIP3 2547 18.232 1.969 -8.337 1.00 0.00 WT1 H ATOM 10233 H2 TIP3 2547 7.419 22.889 -18.519 1.00 0.00 WT1 H ATOM 10234 OH2 TIP3 2548 -3.064 0.347 7.684 1.00 0.00 WT1 O ATOM 10235 H1 TIP3 2548 -18.293 32.138 24.260 1.00 0.00 WT1 H ATOM 10236 H2 TIP3 2548 0.212 17.112 0.803 1.00 0.00 WT1 H ATOM 10237 OH2 TIP3 2549 -1.434 -7.746 -8.213 1.00 0.00 WT1 O ATOM 10238 H1 TIP3 2549 1.184 -10.711 1.558 1.00 0.00 WT1 H ATOM 10239 H2 TIP3 2549 2.482 -23.683 -0.303 1.00 0.00 WT1 H ATOM 10240 OH2 TIP3 2550 -1.291 1.712 -2.292 1.00 0.00 WT1 O ATOM 10241 H1 TIP3 2550 2.307 4.510 -20.960 1.00 0.00 WT1 H ATOM 10242 H2 TIP3 2550 -15.071 -9.126 -6.549 1.00 0.00 WT1 H ATOM 10243 OH2 TIP3 2551 8.453 2.669 1.062 1.00 0.00 WT1 O ATOM 10244 H1 TIP3 2551 3.947 12.443 2.724 1.00 0.00 WT1 H ATOM 10245 H2 TIP3 2551 4.323 12.582 3.419 1.00 0.00 WT1 H ATOM 10246 OH2 TIP3 2552 -3.507 -2.283 1.563 1.00 0.00 WT1 O ATOM 10247 H1 TIP3 2552 12.137 5.014 4.440 1.00 0.00 WT1 H ATOM 10248 H2 TIP3 2552 0.753 -11.327 4.096 1.00 0.00 WT1 H ATOM 10249 OH2 TIP3 2553 -3.556 -1.027 -2.476 1.00 0.00 WT1 O ATOM 10250 H1 TIP3 2553 -22.962 1.929 -11.308 1.00 0.00 WT1 H ATOM 10251 H2 TIP3 2553 4.603 -0.809 -5.764 1.00 0.00 WT1 H ATOM 10252 OH2 TIP3 2554 -7.379 0.291 -3.405 1.00 0.00 WT1 O ATOM 10253 H1 TIP3 2554 13.987 -20.310 -14.059 1.00 0.00 WT1 H ATOM 10254 H2 TIP3 2554 -2.035 -18.733 1.036 1.00 0.00 WT1 H ATOM 10255 OH2 TIP3 2556 -2.328 -1.536 -1.479 1.00 0.00 WT1 O ATOM 10256 H1 TIP3 2556 12.471 -25.093 14.587 1.00 0.00 WT1 H ATOM 10257 H2 TIP3 2556 -25.341 -15.662 0.409 1.00 0.00 WT1 H ATOM 10258 OH2 TIP3 2557 -3.046 0.377 1.888 1.00 0.00 WT1 O ATOM 10259 H1 TIP3 2557 -6.143 6.916 3.895 1.00 0.00 WT1 H ATOM 10260 H2 TIP3 2557 12.397 16.988 -10.106 1.00 0.00 WT1 H ATOM 10261 OH2 TIP3 2559 1.526 -1.182 -3.516 1.00 0.00 WT1 O ATOM 10262 H1 TIP3 2559 5.245 0.523 -0.210 1.00 0.00 WT1 H ATOM 10263 H2 TIP3 2559 9.441 3.330 3.374 1.00 0.00 WT1 H ATOM 10264 OH2 TIP3 2560 -4.078 4.179 1.021 1.00 0.00 WT1 O ATOM 10265 H1 TIP3 2560 -25.488 1.816 3.869 1.00 0.00 WT1 H ATOM 10266 H2 TIP3 2560 3.758 2.284 -16.721 1.00 0.00 WT1 H ATOM 10267 OH2 TIP3 2561 0.028 -1.327 -4.025 1.00 0.00 WT1 O ATOM 10268 H1 TIP3 2561 -3.574 -3.469 8.582 1.00 0.00 WT1 H ATOM 10269 H2 TIP3 2561 11.884 3.033 -0.874 1.00 0.00 WT1 H ATOM 10270 OH2 TIP3 2562 -5.947 2.992 7.630 1.00 0.00 WT1 O ATOM 10271 H1 TIP3 2562 -6.221 3.585 5.153 1.00 0.00 WT1 H ATOM 10272 H2 TIP3 2562 -16.385 8.052 7.961 1.00 0.00 WT1 H ATOM 10273 OH2 TIP3 2563 1.515 -5.093 -1.268 1.00 0.00 WT1 O ATOM 10274 H1 TIP3 2563 -0.301 3.516 -5.157 1.00 0.00 WT1 H ATOM 10275 H2 TIP3 2563 -4.783 4.982 13.458 1.00 0.00 WT1 H ATOM 10276 OH2 TIP3 2564 2.438 -0.702 1.456 1.00 0.00 WT1 O ATOM 10277 H1 TIP3 2564 -3.225 7.082 12.214 1.00 0.00 WT1 H ATOM 10278 H2 TIP3 2564 -2.574 5.068 -10.890 1.00 0.00 WT1 H ATOM 10279 OH2 TIP3 2565 6.220 1.447 3.039 1.00 0.00 WT1 O ATOM 10280 H1 TIP3 2565 19.647 -6.912 5.249 1.00 0.00 WT1 H ATOM 10281 H2 TIP3 2565 5.444 -7.838 4.350 1.00 0.00 WT1 H ATOM 10282 OH2 TIP3 2566 -5.155 6.467 5.074 1.00 0.00 WT1 O ATOM 10283 H1 TIP3 2566 -8.089 1.490 8.993 1.00 0.00 WT1 H ATOM 10284 H2 TIP3 2566 1.296 13.105 5.661 1.00 0.00 WT1 H ATOM 10285 OH2 TIP3 2567 0.299 6.370 -1.935 1.00 0.00 WT1 O ATOM 10286 H1 TIP3 2567 -9.565 -0.823 -0.793 1.00 0.00 WT1 H ATOM 10287 H2 TIP3 2567 20.664 22.005 -4.224 1.00 0.00 WT1 H ATOM 10288 OH2 TIP3 2568 -3.799 -1.391 -11.995 1.00 0.00 WT1 O ATOM 10289 H1 TIP3 2568 14.547 -10.326 -14.201 1.00 0.00 WT1 H ATOM 10290 H2 TIP3 2568 10.749 -6.741 19.054 1.00 0.00 WT1 H ATOM 10291 OH2 TIP3 2569 -0.705 -3.633 -0.637 1.00 0.00 WT1 O ATOM 10292 H1 TIP3 2569 -3.796 -11.995 14.734 1.00 0.00 WT1 H ATOM 10293 H2 TIP3 2569 -9.187 -7.354 4.816 1.00 0.00 WT1 H ATOM 10294 OH2 TIP3 2570 -4.077 3.103 -1.928 1.00 0.00 WT1 O ATOM 10295 H1 TIP3 2570 0.006 16.183 10.500 1.00 0.00 WT1 H ATOM 10296 H2 TIP3 2570 -1.887 10.591 -9.135 1.00 0.00 WT1 H ATOM 10297 OH2 TIP3 2571 -3.643 -1.181 2.646 1.00 0.00 WT1 O ATOM 10298 H1 TIP3 2571 8.018 -8.578 16.518 1.00 0.00 WT1 H ATOM 10299 H2 TIP3 2571 -13.933 -5.067 -12.680 1.00 0.00 WT1 H ATOM 10300 OH2 TIP3 2572 5.277 1.552 -1.198 1.00 0.00 WT1 O ATOM 10301 H1 TIP3 2572 27.776 1.320 -3.789 1.00 0.00 WT1 H ATOM 10302 H2 TIP3 2572 -3.383 12.246 -19.981 1.00 0.00 WT1 H ATOM 10303 OH2 TIP3 2573 1.225 -2.601 1.645 1.00 0.00 WT1 O ATOM 10304 H1 TIP3 2573 8.740 -13.418 -5.421 1.00 0.00 WT1 H ATOM 10305 H2 TIP3 2573 -9.322 -2.823 -7.856 1.00 0.00 WT1 H ATOM 10306 OH2 TIP3 2574 -3.151 2.161 -3.874 1.00 0.00 WT1 O ATOM 10307 H1 TIP3 2574 -7.874 13.853 4.497 1.00 0.00 WT1 H ATOM 10308 H2 TIP3 2574 7.228 -4.526 5.077 1.00 0.00 WT1 H ATOM 10309 OH2 TIP3 2577 -7.318 -5.062 -1.696 1.00 0.00 WT1 O ATOM 10310 H1 TIP3 2577 -22.912 -19.558 -4.870 1.00 0.00 WT1 H ATOM 10311 H2 TIP3 2577 6.086 -10.049 -17.538 1.00 0.00 WT1 H ATOM 10312 OH2 TIP3 2578 -2.073 -3.191 4.039 1.00 0.00 WT1 O ATOM 10313 H1 TIP3 2578 0.185 1.534 7.754 1.00 0.00 WT1 H ATOM 10314 H2 TIP3 2578 -8.538 -9.503 -4.786 1.00 0.00 WT1 H ATOM 10315 OH2 TIP3 2580 5.491 -0.086 1.415 1.00 0.00 WT1 O ATOM 10316 H1 TIP3 2580 -18.231 -4.341 15.416 1.00 0.00 WT1 H ATOM 10317 H2 TIP3 2580 2.419 20.552 6.259 1.00 0.00 WT1 H ATOM 10318 OH2 TIP3 2581 -0.930 -1.939 -1.178 1.00 0.00 WT1 O ATOM 10319 H1 TIP3 2581 -5.865 -6.933 0.302 1.00 0.00 WT1 H ATOM 10320 H2 TIP3 2581 0.091 1.782 -2.736 1.00 0.00 WT1 H ATOM 10321 OH2 TIP3 2582 6.027 -3.736 -4.065 1.00 0.00 WT1 O ATOM 10322 H1 TIP3 2582 11.133 5.288 2.163 1.00 0.00 WT1 H ATOM 10323 H2 TIP3 2582 -5.224 7.978 12.146 1.00 0.00 WT1 H ATOM 10324 OH2 TIP3 2583 2.221 2.616 2.505 1.00 0.00 WT1 O ATOM 10325 H1 TIP3 2583 2.516 -5.095 0.569 1.00 0.00 WT1 H ATOM 10326 H2 TIP3 2583 0.321 7.316 -1.950 1.00 0.00 WT1 H ATOM 10327 OH2 TIP3 2584 4.756 0.821 0.503 1.00 0.00 WT1 O ATOM 10328 H1 TIP3 2584 3.297 4.020 -1.334 1.00 0.00 WT1 H ATOM 10329 H2 TIP3 2584 10.478 -0.229 -2.517 1.00 0.00 WT1 H ATOM 10330 OH2 TIP3 2585 4.675 -3.189 -5.613 1.00 0.00 WT1 O ATOM 10331 H1 TIP3 2585 -8.209 -17.780 -4.850 1.00 0.00 WT1 H ATOM 10332 H2 TIP3 2585 3.080 4.208 13.362 1.00 0.00 WT1 H ATOM 10333 OH2 TIP3 2587 3.049 8.683 -6.761 1.00 0.00 WT1 O ATOM 10334 H1 TIP3 2587 -0.853 -6.033 -8.283 1.00 0.00 WT1 H ATOM 10335 H2 TIP3 2587 3.673 26.000 9.159 1.00 0.00 WT1 H ATOM 10336 OH2 TIP3 2588 3.792 -0.436 -2.152 1.00 0.00 WT1 O ATOM 10337 H1 TIP3 2588 8.892 -1.192 -5.589 1.00 0.00 WT1 H ATOM 10338 H2 TIP3 2588 -4.138 -10.197 -6.594 1.00 0.00 WT1 H ATOM 10339 OH2 TIP3 2589 -2.149 -5.836 -0.689 1.00 0.00 WT1 O ATOM 10340 H1 TIP3 2589 0.626 -0.459 10.526 1.00 0.00 WT1 H ATOM 10341 H2 TIP3 2589 1.135 -23.620 -8.216 1.00 0.00 WT1 H ATOM 10342 OH2 TIP3 2590 6.580 4.094 -5.728 1.00 0.00 WT1 O ATOM 10343 H1 TIP3 2590 0.634 1.789 -16.599 1.00 0.00 WT1 H ATOM 10344 H2 TIP3 2590 -9.600 8.521 -8.637 1.00 0.00 WT1 H ATOM 10345 OH2 TIP3 2591 0.464 2.319 1.046 1.00 0.00 WT1 O ATOM 10346 H1 TIP3 2591 3.953 29.495 -4.038 1.00 0.00 WT1 H ATOM 10347 H2 TIP3 2591 -7.483 2.081 28.444 1.00 0.00 WT1 H ATOM 10348 OH2 TIP3 2592 7.133 0.063 5.872 1.00 0.00 WT1 O ATOM 10349 H1 TIP3 2592 17.491 -4.041 -1.631 1.00 0.00 WT1 H ATOM 10350 H2 TIP3 2592 2.002 1.078 5.100 1.00 0.00 WT1 H ATOM 10351 OH2 TIP3 2594 5.386 -6.426 6.841 1.00 0.00 WT1 O ATOM 10352 H1 TIP3 2594 5.449 5.489 -11.521 1.00 0.00 WT1 H ATOM 10353 H2 TIP3 2594 10.365 -0.158 6.415 1.00 0.00 WT1 H ATOM 10354 OH2 TIP3 2595 -5.093 4.249 5.379 1.00 0.00 WT1 O ATOM 10355 H1 TIP3 2595 -24.515 4.122 3.820 1.00 0.00 WT1 H ATOM 10356 H2 TIP3 2595 -1.146 -6.787 7.320 1.00 0.00 WT1 H ATOM 10357 OH2 TIP3 2597 2.593 -0.854 -8.821 1.00 0.00 WT1 O ATOM 10358 H1 TIP3 2597 7.630 2.414 -13.451 1.00 0.00 WT1 H ATOM 10359 H2 TIP3 2597 5.054 -10.321 -12.827 1.00 0.00 WT1 H ATOM 10360 OH2 TIP3 2598 2.733 -0.685 -6.104 1.00 0.00 WT1 O ATOM 10361 H1 TIP3 2598 11.358 15.299 -17.081 1.00 0.00 WT1 H ATOM 10362 H2 TIP3 2598 -2.580 -20.370 -4.388 1.00 0.00 WT1 H ATOM 10363 OH2 TIP3 2599 2.692 -2.353 4.050 1.00 0.00 WT1 O ATOM 10364 H1 TIP3 2599 2.942 -14.990 15.389 1.00 0.00 WT1 H ATOM 10365 H2 TIP3 2599 -3.023 -1.894 8.397 1.00 0.00 WT1 H ATOM 10366 OH2 TIP3 2600 -1.682 -5.316 0.875 1.00 0.00 WT1 O ATOM 10367 H1 TIP3 2600 -3.785 22.662 11.373 1.00 0.00 WT1 H ATOM 10368 H2 TIP3 2600 -0.609 28.808 -5.845 1.00 0.00 WT1 H ATOM 10369 OH2 TIP3 2601 -0.362 -3.102 -5.113 1.00 0.00 WT1 O ATOM 10370 H1 TIP3 2601 3.588 6.097 5.400 1.00 0.00 WT1 H ATOM 10371 H2 TIP3 2601 -13.958 -4.397 -3.746 1.00 0.00 WT1 H ATOM 10372 OH2 TIP3 2602 1.259 2.869 -3.433 1.00 0.00 WT1 O ATOM 10373 H1 TIP3 2602 8.658 4.783 5.746 1.00 0.00 WT1 H ATOM 10374 H2 TIP3 2602 -2.715 0.973 -5.021 1.00 0.00 WT1 H ATOM 10375 OH2 TIP3 2603 5.123 1.165 5.955 1.00 0.00 WT1 O ATOM 10376 H1 TIP3 2603 -7.307 -13.082 3.439 1.00 0.00 WT1 H ATOM 10377 H2 TIP3 2603 -41.262 29.684 19.944 1.00 0.00 WT1 H ATOM 10378 OH2 TIP3 2605 -4.161 -2.155 3.718 1.00 0.00 WT1 O ATOM 10379 H1 TIP3 2605 4.322 14.956 6.041 1.00 0.00 WT1 H ATOM 10380 H2 TIP3 2605 -6.808 -0.217 13.133 1.00 0.00 WT1 H ATOM 10381 OH2 TIP3 2606 -3.656 -2.317 -3.670 1.00 0.00 WT1 O ATOM 10382 H1 TIP3 2606 -2.767 -10.284 11.863 1.00 0.00 WT1 H ATOM 10383 H2 TIP3 2606 21.015 7.818 15.213 1.00 0.00 WT1 H ATOM 10384 OH2 TIP3 2607 4.793 2.647 -0.561 1.00 0.00 WT1 O ATOM 10385 H1 TIP3 2607 10.150 6.099 -1.220 1.00 0.00 WT1 H ATOM 10386 H2 TIP3 2607 -3.160 -3.209 -1.859 1.00 0.00 WT1 H ATOM 10387 OH2 TIP3 2608 1.589 -5.824 3.645 1.00 0.00 WT1 O ATOM 10388 H1 TIP3 2608 15.673 11.043 -1.849 1.00 0.00 WT1 H ATOM 10389 H2 TIP3 2608 -13.790 -0.762 -8.485 1.00 0.00 WT1 H ATOM 10390 OH2 TIP3 2609 -0.104 1.294 2.791 1.00 0.00 WT1 O ATOM 10391 H1 TIP3 2609 9.142 -18.416 -35.478 1.00 0.00 WT1 H ATOM 10392 H2 TIP3 2609 -5.564 2.312 11.114 1.00 0.00 WT1 H ATOM 10393 OH2 TIP3 2610 -9.137 -7.773 -1.642 1.00 0.00 WT1 O ATOM 10394 H1 TIP3 2610 0.028 -0.951 -10.709 1.00 0.00 WT1 H ATOM 10395 H2 TIP3 2610 -18.029 4.910 1.778 1.00 0.00 WT1 H ATOM 10396 OH2 TIP3 2611 1.612 -3.639 -1.850 1.00 0.00 WT1 O ATOM 10397 H1 TIP3 2611 -0.545 11.869 -15.194 1.00 0.00 WT1 H ATOM 10398 H2 TIP3 2611 2.907 -22.850 13.937 1.00 0.00 WT1 H ATOM 10399 OH2 TIP3 2612 -6.725 -3.411 -1.545 1.00 0.00 WT1 O ATOM 10400 H1 TIP3 2612 15.824 -18.841 16.623 1.00 0.00 WT1 H ATOM 10401 H2 TIP3 2612 -12.472 -7.490 7.919 1.00 0.00 WT1 H ATOM 10402 OH2 TIP3 2613 -3.181 -0.511 4.153 1.00 0.00 WT1 O ATOM 10403 H1 TIP3 2613 3.944 17.747 7.317 1.00 0.00 WT1 H ATOM 10404 H2 TIP3 2613 6.970 15.321 7.240 1.00 0.00 WT1 H ATOM 10405 OH2 TIP3 2614 -3.526 0.086 -1.210 1.00 0.00 WT1 O ATOM 10406 H1 TIP3 2614 -13.383 1.161 -9.825 1.00 0.00 WT1 H ATOM 10407 H2 TIP3 2614 -1.716 0.884 7.288 1.00 0.00 WT1 H ATOM 10408 OH2 TIP3 2615 -0.514 0.450 5.313 1.00 0.00 WT1 O ATOM 10409 H1 TIP3 2615 5.555 -2.188 3.943 1.00 0.00 WT1 H ATOM 10410 H2 TIP3 2615 6.172 1.231 2.541 1.00 0.00 WT1 H ATOM 10411 OH2 TIP3 2616 3.057 -0.507 -0.286 1.00 0.00 WT1 O ATOM 10412 H1 TIP3 2616 2.378 1.307 -1.184 1.00 0.00 WT1 H ATOM 10413 H2 TIP3 2616 -22.766 -5.325 -17.299 1.00 0.00 WT1 H ATOM 10414 OH2 TIP3 2617 2.324 1.021 4.062 1.00 0.00 WT1 O ATOM 10415 H1 TIP3 2617 -5.761 4.287 7.165 1.00 0.00 WT1 H ATOM 10416 H2 TIP3 2617 14.826 -6.598 5.892 1.00 0.00 WT1 H ATOM 10417 OH2 TIP3 2618 -2.465 2.100 0.937 1.00 0.00 WT1 O ATOM 10418 H1 TIP3 2618 -1.150 -8.882 13.376 1.00 0.00 WT1 H ATOM 10419 H2 TIP3 2618 21.333 2.426 0.482 1.00 0.00 WT1 H ATOM 10420 OH2 TIP3 2620 2.215 -0.859 -6.229 1.00 0.00 WT1 O ATOM 10421 H1 TIP3 2620 -1.179 16.898 -10.669 1.00 0.00 WT1 H ATOM 10422 H2 TIP3 2620 -0.829 3.376 -3.922 1.00 0.00 WT1 H ATOM 10423 OH2 TIP3 2623 -1.460 -3.717 -2.707 1.00 0.00 WT1 O ATOM 10424 H1 TIP3 2623 12.873 -7.356 12.104 1.00 0.00 WT1 H ATOM 10425 H2 TIP3 2623 2.333 -4.411 -13.033 1.00 0.00 WT1 H ATOM 10426 OH2 TIP3 2625 1.723 -0.817 -0.603 1.00 0.00 WT1 O ATOM 10427 H1 TIP3 2625 -1.736 18.195 -4.653 1.00 0.00 WT1 H ATOM 10428 H2 TIP3 2625 -7.785 18.585 2.381 1.00 0.00 WT1 H ATOM 10429 OH2 TIP3 2626 1.109 -4.202 -5.553 1.00 0.00 WT1 O ATOM 10430 H1 TIP3 2626 5.429 -5.637 2.512 1.00 0.00 WT1 H ATOM 10431 H2 TIP3 2626 4.171 -8.952 -10.300 1.00 0.00 WT1 H ATOM 10432 OH2 TIP3 2627 -2.651 -5.534 1.335 1.00 0.00 WT1 O ATOM 10433 H1 TIP3 2627 10.343 -6.656 3.870 1.00 0.00 WT1 H ATOM 10434 H2 TIP3 2627 -7.792 -5.886 1.417 1.00 0.00 WT1 H ATOM 10435 OH2 TIP3 2628 -3.551 1.804 -3.084 1.00 0.00 WT1 O ATOM 10436 H1 TIP3 2628 -3.426 2.661 3.875 1.00 0.00 WT1 H ATOM 10437 H2 TIP3 2628 -2.140 6.151 32.725 1.00 0.00 WT1 H ATOM 10438 OH2 TIP3 2629 -0.734 2.063 3.231 1.00 0.00 WT1 O ATOM 10439 H1 TIP3 2629 1.864 2.009 5.253 1.00 0.00 WT1 H ATOM 10440 H2 TIP3 2629 6.143 -6.563 10.790 1.00 0.00 WT1 H ATOM 10441 OH2 TIP3 2631 0.989 3.514 -3.820 1.00 0.00 WT1 O ATOM 10442 H1 TIP3 2631 3.871 -0.392 4.324 1.00 0.00 WT1 H ATOM 10443 H2 TIP3 2631 6.655 -2.428 7.205 1.00 0.00 WT1 H ATOM 10444 OH2 TIP3 2632 -3.651 2.289 -2.352 1.00 0.00 WT1 O ATOM 10445 H1 TIP3 2632 -16.663 -18.355 2.933 1.00 0.00 WT1 H ATOM 10446 H2 TIP3 2632 -16.699 -8.967 1.397 1.00 0.00 WT1 H ATOM 10447 OH2 TIP3 2634 2.432 -3.674 1.810 1.00 0.00 WT1 O ATOM 10448 H1 TIP3 2634 -9.660 -16.821 8.883 1.00 0.00 WT1 H ATOM 10449 H2 TIP3 2634 -20.716 4.260 -18.585 1.00 0.00 WT1 H ATOM 10450 OH2 TIP3 2635 -1.547 0.958 -0.535 1.00 0.00 WT1 O ATOM 10451 H1 TIP3 2635 -1.226 11.966 -1.585 1.00 0.00 WT1 H ATOM 10452 H2 TIP3 2635 -6.243 -8.250 10.415 1.00 0.00 WT1 H ATOM 10453 OH2 TIP3 2637 2.543 3.283 -4.007 1.00 0.00 WT1 O ATOM 10454 H1 TIP3 2637 -4.784 7.466 1.987 1.00 0.00 WT1 H ATOM 10455 H2 TIP3 2637 3.022 -4.303 -5.975 1.00 0.00 WT1 H ATOM 10456 OH2 TIP3 2638 -2.256 8.684 -2.328 1.00 0.00 WT1 O ATOM 10457 H1 TIP3 2638 10.211 14.948 18.159 1.00 0.00 WT1 H ATOM 10458 H2 TIP3 2638 6.371 -13.387 -7.602 1.00 0.00 WT1 H ATOM 10459 OH2 TIP3 2639 0.262 -2.806 2.033 1.00 0.00 WT1 O ATOM 10460 H1 TIP3 2639 6.304 15.108 0.357 1.00 0.00 WT1 H ATOM 10461 H2 TIP3 2639 11.543 0.757 -2.545 1.00 0.00 WT1 H ATOM 10462 OH2 TIP3 2641 5.429 -6.408 -4.534 1.00 0.00 WT1 O ATOM 10463 H1 TIP3 2641 12.070 4.052 -4.626 1.00 0.00 WT1 H ATOM 10464 H2 TIP3 2641 0.694 -3.807 -12.991 1.00 0.00 WT1 H ATOM 10465 OH2 TIP3 2642 -2.350 9.143 -1.875 1.00 0.00 WT1 O ATOM 10466 H1 TIP3 2642 3.641 4.155 -1.648 1.00 0.00 WT1 H ATOM 10467 H2 TIP3 2642 5.545 4.091 6.881 1.00 0.00 WT1 H ATOM 10468 OH2 TIP3 2644 -4.540 6.221 -0.957 1.00 0.00 WT1 O ATOM 10469 H1 TIP3 2644 2.901 10.995 -12.997 1.00 0.00 WT1 H ATOM 10470 H2 TIP3 2644 0.209 11.418 -15.778 1.00 0.00 WT1 H ATOM 10471 OH2 TIP3 2646 -1.575 1.474 -1.835 1.00 0.00 WT1 O ATOM 10472 H1 TIP3 2646 -10.756 -17.930 -6.302 1.00 0.00 WT1 H ATOM 10473 H2 TIP3 2646 -8.621 20.042 -19.879 1.00 0.00 WT1 H ATOM 10474 OH2 TIP3 2647 -0.781 -4.954 -0.820 1.00 0.00 WT1 O ATOM 10475 H1 TIP3 2647 17.660 -0.478 18.944 1.00 0.00 WT1 H ATOM 10476 H2 TIP3 2647 13.790 -2.106 19.229 1.00 0.00 WT1 H ATOM 10477 OH2 TIP3 2648 3.836 0.491 0.905 1.00 0.00 WT1 O ATOM 10478 H1 TIP3 2648 15.741 5.595 13.851 1.00 0.00 WT1 H ATOM 10479 H2 TIP3 2648 12.760 20.179 8.941 1.00 0.00 WT1 H ATOM 10480 OH2 TIP3 2649 -1.793 -1.614 3.473 1.00 0.00 WT1 O ATOM 10481 H1 TIP3 2649 0.523 -5.463 0.753 1.00 0.00 WT1 H ATOM 10482 H2 TIP3 2649 -6.960 4.577 7.341 1.00 0.00 WT1 H ATOM 10483 OH2 TIP3 2650 3.090 6.014 4.927 1.00 0.00 WT1 O ATOM 10484 H1 TIP3 2650 -15.809 -0.550 -22.502 1.00 0.00 WT1 H ATOM 10485 H2 TIP3 2650 6.689 -3.307 -8.196 1.00 0.00 WT1 H ATOM 10486 OH2 TIP3 2651 3.882 10.111 5.581 1.00 0.00 WT1 O ATOM 10487 H1 TIP3 2651 -2.478 11.110 6.668 1.00 0.00 WT1 H ATOM 10488 H2 TIP3 2651 5.408 22.267 -1.085 1.00 0.00 WT1 H ATOM 10489 OH2 TIP3 2653 -0.878 2.132 0.358 1.00 0.00 WT1 O ATOM 10490 H1 TIP3 2653 -4.400 17.574 -18.981 1.00 0.00 WT1 H ATOM 10491 H2 TIP3 2653 7.338 -0.446 3.059 1.00 0.00 WT1 H ATOM 10492 OH2 TIP3 2654 -1.507 -2.691 -0.375 1.00 0.00 WT1 O ATOM 10493 H1 TIP3 2654 -24.647 7.769 -13.891 1.00 0.00 WT1 H ATOM 10494 H2 TIP3 2654 -6.383 1.913 -5.781 1.00 0.00 WT1 H ATOM 10495 OH2 TIP3 2655 -2.568 -2.868 5.011 1.00 0.00 WT1 O ATOM 10496 H1 TIP3 2655 -3.799 -2.502 4.327 1.00 0.00 WT1 H ATOM 10497 H2 TIP3 2655 -4.293 -1.940 5.648 1.00 0.00 WT1 H ATOM 10498 OH2 TIP3 2656 1.542 -7.705 -3.696 1.00 0.00 WT1 O ATOM 10499 H1 TIP3 2656 8.179 -3.123 -15.773 1.00 0.00 WT1 H ATOM 10500 H2 TIP3 2656 3.106 -7.738 -2.546 1.00 0.00 WT1 H ATOM 10501 OH2 TIP3 2657 7.425 -3.205 0.678 1.00 0.00 WT1 O ATOM 10502 H1 TIP3 2657 24.466 2.884 11.170 1.00 0.00 WT1 H ATOM 10503 H2 TIP3 2657 16.622 -2.950 11.689 1.00 0.00 WT1 H ATOM 10504 OH2 TIP3 2658 -3.867 0.694 5.699 1.00 0.00 WT1 O ATOM 10505 H1 TIP3 2658 -2.603 -19.201 12.052 1.00 0.00 WT1 H ATOM 10506 H2 TIP3 2658 -13.082 2.126 7.443 1.00 0.00 WT1 H ATOM 10507 OH2 TIP3 2659 -3.416 -2.613 2.190 1.00 0.00 WT1 O ATOM 10508 H1 TIP3 2659 8.447 -0.722 11.905 1.00 0.00 WT1 H ATOM 10509 H2 TIP3 2659 14.576 7.142 18.508 1.00 0.00 WT1 H ATOM 10510 OH2 TIP3 2660 1.269 3.815 -3.328 1.00 0.00 WT1 O ATOM 10511 H1 TIP3 2660 -3.625 -12.947 3.826 1.00 0.00 WT1 H ATOM 10512 H2 TIP3 2660 6.545 27.514 -9.211 1.00 0.00 WT1 H ATOM 10513 OH2 TIP3 2661 -1.202 -5.025 2.653 1.00 0.00 WT1 O ATOM 10514 H1 TIP3 2661 -5.349 -14.769 -19.215 1.00 0.00 WT1 H ATOM 10515 H2 TIP3 2661 14.354 13.487 -4.584 1.00 0.00 WT1 H ATOM 10516 OH2 TIP3 2662 -2.400 5.913 -1.252 1.00 0.00 WT1 O ATOM 10517 H1 TIP3 2662 -19.248 -6.896 9.006 1.00 0.00 WT1 H ATOM 10518 H2 TIP3 2662 -0.274 0.487 -12.036 1.00 0.00 WT1 H ATOM 10519 OH2 TIP3 2663 -4.912 -0.379 -4.628 1.00 0.00 WT1 O ATOM 10520 H1 TIP3 2663 -12.573 -2.477 13.967 1.00 0.00 WT1 H ATOM 10521 H2 TIP3 2663 11.056 8.249 -1.219 1.00 0.00 WT1 H ATOM 10522 OH2 TIP3 2664 0.769 -4.273 7.167 1.00 0.00 WT1 O ATOM 10523 H1 TIP3 2664 18.574 9.968 -6.681 1.00 0.00 WT1 H ATOM 10524 H2 TIP3 2664 3.785 -12.399 8.482 1.00 0.00 WT1 H ATOM 10525 OH2 TIP3 2665 -7.730 1.354 2.888 1.00 0.00 WT1 O ATOM 10526 H1 TIP3 2665 -10.830 16.848 4.947 1.00 0.00 WT1 H ATOM 10527 H2 TIP3 2665 -6.958 -4.581 31.052 1.00 0.00 WT1 H ATOM 10528 OH2 TIP3 2666 -5.297 0.852 1.223 1.00 0.00 WT1 O ATOM 10529 H1 TIP3 2666 -22.864 6.157 -7.399 1.00 0.00 WT1 H ATOM 10530 H2 TIP3 2666 5.567 -12.313 23.699 1.00 0.00 WT1 H ATOM 10531 OH2 TIP3 2667 -6.587 4.960 3.672 1.00 0.00 WT1 O ATOM 10532 H1 TIP3 2667 1.644 -6.364 -1.265 1.00 0.00 WT1 H ATOM 10533 H2 TIP3 2667 -16.497 27.133 13.492 1.00 0.00 WT1 H ATOM 10534 OH2 TIP3 2668 -0.941 -2.096 -2.989 1.00 0.00 WT1 O ATOM 10535 H1 TIP3 2668 7.094 16.405 2.912 1.00 0.00 WT1 H ATOM 10536 H2 TIP3 2668 1.184 25.211 9.632 1.00 0.00 WT1 H ATOM 10537 OH2 TIP3 2669 -5.945 1.048 -10.741 1.00 0.00 WT1 O ATOM 10538 H1 TIP3 2669 -11.193 6.166 -4.347 1.00 0.00 WT1 H ATOM 10539 H2 TIP3 2669 11.098 -3.328 -16.002 1.00 0.00 WT1 H ATOM 10540 OH2 TIP3 2670 -8.698 2.544 7.553 1.00 0.00 WT1 O ATOM 10541 H1 TIP3 2670 13.957 -11.081 23.371 1.00 0.00 WT1 H ATOM 10542 H2 TIP3 2670 -1.677 2.879 6.240 1.00 0.00 WT1 H ATOM 10543 OH2 TIP3 2672 -7.296 4.103 -1.147 1.00 0.00 WT1 O ATOM 10544 H1 TIP3 2672 -30.411 3.111 13.131 1.00 0.00 WT1 H ATOM 10545 H2 TIP3 2672 7.235 2.998 -15.026 1.00 0.00 WT1 H ATOM 10546 OH2 TIP3 2673 0.678 -1.205 -4.859 1.00 0.00 WT1 O ATOM 10547 H1 TIP3 2673 -4.299 -5.042 11.379 1.00 0.00 WT1 H ATOM 10548 H2 TIP3 2673 2.037 3.935 13.607 1.00 0.00 WT1 H ATOM 10549 OH2 TIP3 2674 -1.542 0.354 -3.257 1.00 0.00 WT1 O ATOM 10550 H1 TIP3 2674 5.740 2.549 -37.092 1.00 0.00 WT1 H ATOM 10551 H2 TIP3 2674 8.472 6.023 12.548 1.00 0.00 WT1 H ATOM 10552 OH2 TIP3 2675 7.316 -2.147 1.838 1.00 0.00 WT1 O ATOM 10553 H1 TIP3 2675 4.169 -13.975 -2.673 1.00 0.00 WT1 H ATOM 10554 H2 TIP3 2675 18.109 5.344 13.237 1.00 0.00 WT1 H ATOM 10555 OH2 TIP3 2676 -2.565 -4.477 6.006 1.00 0.00 WT1 O ATOM 10556 H1 TIP3 2676 7.746 -12.300 -9.674 1.00 0.00 WT1 H ATOM 10557 H2 TIP3 2676 -22.163 -2.260 -1.322 1.00 0.00 WT1 H ATOM 10558 OH2 TIP3 2677 2.322 4.343 6.277 1.00 0.00 WT1 O ATOM 10559 H1 TIP3 2677 -1.618 -9.442 15.467 1.00 0.00 WT1 H ATOM 10560 H2 TIP3 2677 5.821 4.081 -7.544 1.00 0.00 WT1 H ATOM 10561 OH2 TIP3 2678 9.417 -7.737 0.460 1.00 0.00 WT1 O ATOM 10562 H1 TIP3 2678 23.828 -3.294 -5.160 1.00 0.00 WT1 H ATOM 10563 H2 TIP3 2678 2.456 -17.227 -3.949 1.00 0.00 WT1 H ATOM 10564 OH2 TIP3 2679 8.173 -2.325 0.131 1.00 0.00 WT1 O ATOM 10565 H1 TIP3 2679 11.517 -5.294 -16.016 1.00 0.00 WT1 H ATOM 10566 H2 TIP3 2679 7.874 -15.754 -4.785 1.00 0.00 WT1 H ATOM 10567 OH2 TIP3 2680 -1.237 2.773 3.670 1.00 0.00 WT1 O ATOM 10568 H1 TIP3 2680 21.332 -2.336 3.511 1.00 0.00 WT1 H ATOM 10569 H2 TIP3 2680 -4.408 13.259 16.286 1.00 0.00 WT1 H ATOM 10570 OH2 TIP3 2681 -7.656 -1.314 1.387 1.00 0.00 WT1 O ATOM 10571 H1 TIP3 2681 -7.016 -20.904 -9.814 1.00 0.00 WT1 H ATOM 10572 H2 TIP3 2681 1.749 -0.055 -5.183 1.00 0.00 WT1 H ATOM 10573 OH2 TIP3 2682 5.086 -2.948 0.458 1.00 0.00 WT1 O ATOM 10574 H1 TIP3 2682 11.632 5.699 -8.568 1.00 0.00 WT1 H ATOM 10575 H2 TIP3 2682 7.646 0.230 -4.099 1.00 0.00 WT1 H ATOM 10576 OH2 TIP3 2683 -1.607 -0.765 -3.280 1.00 0.00 WT1 O ATOM 10577 H1 TIP3 2683 13.503 13.274 -12.740 1.00 0.00 WT1 H ATOM 10578 H2 TIP3 2683 -3.811 -12.379 15.195 1.00 0.00 WT1 H ATOM 10579 OH2 TIP3 2684 -0.645 -3.063 0.896 1.00 0.00 WT1 O ATOM 10580 H1 TIP3 2684 0.304 -6.716 3.239 1.00 0.00 WT1 H ATOM 10581 H2 TIP3 2684 -4.735 -4.257 1.425 1.00 0.00 WT1 H ATOM 10582 OH2 TIP3 2685 -0.759 -1.281 -0.115 1.00 0.00 WT1 O ATOM 10583 H1 TIP3 2685 1.137 -5.495 -1.601 1.00 0.00 WT1 H ATOM 10584 H2 TIP3 2685 -5.059 -3.094 3.690 1.00 0.00 WT1 H ATOM 10585 OH2 TIP3 2686 1.509 0.158 -5.655 1.00 0.00 WT1 O ATOM 10586 H1 TIP3 2686 1.704 -0.023 -5.651 1.00 0.00 WT1 H ATOM 10587 H2 TIP3 2686 1.199 -0.682 -6.031 1.00 0.00 WT1 H ATOM 10588 OH2 TIP3 2688 -4.423 -7.179 0.099 1.00 0.00 WT1 O ATOM 10589 H1 TIP3 2688 -9.102 -6.237 4.425 1.00 0.00 WT1 H ATOM 10590 H2 TIP3 2688 1.206 -10.798 4.525 1.00 0.00 WT1 H ATOM 10591 OH2 TIP3 2689 8.426 1.566 -0.739 1.00 0.00 WT1 O ATOM 10592 H1 TIP3 2689 -0.324 15.151 6.633 1.00 0.00 WT1 H ATOM 10593 H2 TIP3 2689 -18.956 -18.105 -11.700 1.00 0.00 WT1 H ATOM 10594 OH2 TIP3 2690 2.314 3.847 2.842 1.00 0.00 WT1 O ATOM 10595 H1 TIP3 2690 7.588 -4.031 1.743 1.00 0.00 WT1 H ATOM 10596 H2 TIP3 2690 2.172 14.560 11.641 1.00 0.00 WT1 H ATOM 10597 OH2 TIP3 2691 4.534 0.908 -7.494 1.00 0.00 WT1 O ATOM 10598 H1 TIP3 2691 6.422 -20.697 -3.900 1.00 0.00 WT1 H ATOM 10599 H2 TIP3 2691 -5.083 -18.202 -10.568 1.00 0.00 WT1 H ATOM 10600 OH2 TIP3 2692 -1.412 1.086 -4.266 1.00 0.00 WT1 O ATOM 10601 H1 TIP3 2692 28.435 10.313 6.016 1.00 0.00 WT1 H ATOM 10602 H2 TIP3 2692 -2.046 -4.242 -20.396 1.00 0.00 WT1 H ATOM 10603 OH2 TIP3 2693 -5.864 -0.001 2.835 1.00 0.00 WT1 O ATOM 10604 H1 TIP3 2693 5.138 -23.262 1.509 1.00 0.00 WT1 H ATOM 10605 H2 TIP3 2693 -14.173 10.089 7.093 1.00 0.00 WT1 H ATOM 10606 OH2 TIP3 2694 8.277 3.489 0.240 1.00 0.00 WT1 O ATOM 10607 H1 TIP3 2694 -4.594 11.895 -6.137 1.00 0.00 WT1 H ATOM 10608 H2 TIP3 2694 4.293 2.154 6.465 1.00 0.00 WT1 H ATOM 10609 OH2 TIP3 2695 -5.685 4.045 4.212 1.00 0.00 WT1 O ATOM 10610 H1 TIP3 2695 7.804 2.186 13.748 1.00 0.00 WT1 H ATOM 10611 H2 TIP3 2695 -16.071 12.273 1.954 1.00 0.00 WT1 H ATOM 10612 OH2 TIP3 2696 0.616 -1.486 -2.165 1.00 0.00 WT1 O ATOM 10613 H1 TIP3 2696 -2.319 -2.646 -12.873 1.00 0.00 WT1 H ATOM 10614 H2 TIP3 2696 -9.229 -3.685 11.689 1.00 0.00 WT1 H ATOM 10615 OH2 TIP3 2697 5.597 -5.622 -2.378 1.00 0.00 WT1 O ATOM 10616 H1 TIP3 2697 0.424 -4.909 -9.281 1.00 0.00 WT1 H ATOM 10617 H2 TIP3 2697 22.045 -8.655 -3.320 1.00 0.00 WT1 H ATOM 10618 OH2 TIP3 2698 0.091 2.503 1.021 1.00 0.00 WT1 O ATOM 10619 H1 TIP3 2698 -2.002 5.106 11.153 1.00 0.00 WT1 H ATOM 10620 H2 TIP3 2698 6.502 1.823 1.303 1.00 0.00 WT1 H ATOM 10621 OH2 TIP3 2700 -0.375 2.989 2.237 1.00 0.00 WT1 O ATOM 10622 H1 TIP3 2700 24.064 -5.925 -4.746 1.00 0.00 WT1 H ATOM 10623 H2 TIP3 2700 -0.438 20.282 5.650 1.00 0.00 WT1 H ATOM 10624 OH2 TIP3 2701 -1.868 0.290 -1.414 1.00 0.00 WT1 O ATOM 10625 H1 TIP3 2701 -1.227 -2.410 -5.737 1.00 0.00 WT1 H ATOM 10626 H2 TIP3 2701 -2.607 4.624 3.711 1.00 0.00 WT1 H ATOM 10627 OH2 TIP3 2702 6.985 0.722 1.976 1.00 0.00 WT1 O ATOM 10628 H1 TIP3 2702 -1.622 23.222 15.386 1.00 0.00 WT1 H ATOM 10629 H2 TIP3 2702 15.548 24.359 -4.461 1.00 0.00 WT1 H ATOM 10630 OH2 TIP3 2703 -0.056 0.902 -0.236 1.00 0.00 WT1 O ATOM 10631 H1 TIP3 2703 -8.880 22.656 -1.767 1.00 0.00 WT1 H ATOM 10632 H2 TIP3 2703 23.734 -1.159 14.188 1.00 0.00 WT1 H ATOM 10633 OH2 TIP3 2705 5.556 0.560 2.857 1.00 0.00 WT1 O ATOM 10634 H1 TIP3 2705 -13.327 6.729 7.461 1.00 0.00 WT1 H ATOM 10635 H2 TIP3 2705 12.761 -7.522 -11.003 1.00 0.00 WT1 H ATOM 10636 OH2 TIP3 2706 0.426 -5.095 1.305 1.00 0.00 WT1 O ATOM 10637 H1 TIP3 2706 -0.597 19.124 -4.225 1.00 0.00 WT1 H ATOM 10638 H2 TIP3 2706 3.551 -17.731 6.808 1.00 0.00 WT1 H ATOM 10639 OH2 TIP3 2707 -1.978 6.951 3.318 1.00 0.00 WT1 O ATOM 10640 H1 TIP3 2707 0.943 7.292 4.934 1.00 0.00 WT1 H ATOM 10641 H2 TIP3 2707 -6.713 8.614 -9.567 1.00 0.00 WT1 H ATOM 10642 OH2 TIP3 2708 7.431 8.927 0.908 1.00 0.00 WT1 O ATOM 10643 H1 TIP3 2708 23.350 2.580 3.165 1.00 0.00 WT1 H ATOM 10644 H2 TIP3 2708 -13.750 18.836 21.567 1.00 0.00 WT1 H ATOM 10645 OH2 TIP3 2709 2.605 3.654 0.877 1.00 0.00 WT1 O ATOM 10646 H1 TIP3 2709 1.777 2.437 7.040 1.00 0.00 WT1 H ATOM 10647 H2 TIP3 2709 -0.769 10.771 27.821 1.00 0.00 WT1 H ATOM 10648 OH2 TIP3 2710 -0.238 -3.926 -5.396 1.00 0.00 WT1 O ATOM 10649 H1 TIP3 2710 -4.102 -7.152 -11.508 1.00 0.00 WT1 H ATOM 10650 H2 TIP3 2710 -6.565 3.913 -2.940 1.00 0.00 WT1 H ATOM 10651 OH2 TIP3 2711 0.100 -4.668 5.825 1.00 0.00 WT1 O ATOM 10652 H1 TIP3 2711 7.867 3.493 -5.873 1.00 0.00 WT1 H ATOM 10653 H2 TIP3 2711 0.083 -9.298 12.598 1.00 0.00 WT1 H ATOM 10654 OH2 TIP3 2712 -5.543 2.469 5.623 1.00 0.00 WT1 O ATOM 10655 H1 TIP3 2712 -7.867 9.441 0.168 1.00 0.00 WT1 H ATOM 10656 H2 TIP3 2712 18.568 -0.470 -6.298 1.00 0.00 WT1 H ATOM 10657 OH2 TIP3 2713 -3.390 7.411 -1.445 1.00 0.00 WT1 O ATOM 10658 H1 TIP3 2713 4.199 27.812 14.355 1.00 0.00 WT1 H ATOM 10659 H2 TIP3 2713 -22.345 5.550 6.027 1.00 0.00 WT1 H ATOM 10660 OH2 TIP3 2714 -0.192 -3.652 -0.547 1.00 0.00 WT1 O ATOM 10661 H1 TIP3 2714 1.755 -4.876 12.259 1.00 0.00 WT1 H ATOM 10662 H2 TIP3 2714 0.150 10.747 -14.535 1.00 0.00 WT1 H ATOM 10663 OH2 TIP3 2715 9.666 -4.424 -4.171 1.00 0.00 WT1 O ATOM 10664 H1 TIP3 2715 0.791 -27.675 8.209 1.00 0.00 WT1 H ATOM 10665 H2 TIP3 2715 3.609 -9.277 -4.906 1.00 0.00 WT1 H ATOM 10666 OH2 TIP3 2717 -1.415 -2.036 2.659 1.00 0.00 WT1 O ATOM 10667 H1 TIP3 2717 3.580 -9.362 8.890 1.00 0.00 WT1 H ATOM 10668 H2 TIP3 2717 -11.101 -7.482 1.665 1.00 0.00 WT1 H ATOM 10669 OH2 TIP3 2718 4.802 3.168 3.665 1.00 0.00 WT1 O ATOM 10670 H1 TIP3 2718 1.134 10.825 8.109 1.00 0.00 WT1 H ATOM 10671 H2 TIP3 2718 -0.579 16.204 7.214 1.00 0.00 WT1 H ATOM 10672 OH2 TIP3 2719 0.190 3.385 2.012 1.00 0.00 WT1 O ATOM 10673 H1 TIP3 2719 -2.935 13.686 -11.456 1.00 0.00 WT1 H ATOM 10674 H2 TIP3 2719 -2.775 -11.734 -4.179 1.00 0.00 WT1 H ATOM 10675 OH2 TIP3 2720 -4.093 4.294 -6.536 1.00 0.00 WT1 O ATOM 10676 H1 TIP3 2720 -1.400 1.999 -3.856 1.00 0.00 WT1 H ATOM 10677 H2 TIP3 2720 4.979 -1.203 -22.280 1.00 0.00 WT1 H ATOM 10678 OH2 TIP3 2721 -7.465 -0.608 0.703 1.00 0.00 WT1 O ATOM 10679 H1 TIP3 2721 7.512 12.538 -3.149 1.00 0.00 WT1 H ATOM 10680 H2 TIP3 2721 -35.926 -19.559 7.116 1.00 0.00 WT1 H ATOM 10681 OH2 TIP3 2722 4.745 -4.538 -4.883 1.00 0.00 WT1 O ATOM 10682 H1 TIP3 2722 9.380 -2.609 -3.658 1.00 0.00 WT1 H ATOM 10683 H2 TIP3 2722 -4.003 17.032 24.917 1.00 0.00 WT1 H ATOM 10684 OH2 TIP3 2723 -3.724 1.746 -1.930 1.00 0.00 WT1 O ATOM 10685 H1 TIP3 2723 -28.302 -3.594 -12.908 1.00 0.00 WT1 H ATOM 10686 H2 TIP3 2723 14.989 -18.347 5.552 1.00 0.00 WT1 H ATOM 10687 OH2 TIP3 2724 5.483 1.196 2.154 1.00 0.00 WT1 O ATOM 10688 H1 TIP3 2724 -6.731 15.907 -3.528 1.00 0.00 WT1 H ATOM 10689 H2 TIP3 2724 15.943 -3.652 6.924 1.00 0.00 WT1 H ATOM 10690 OH2 TIP3 2725 4.469 -3.519 0.007 1.00 0.00 WT1 O ATOM 10691 H1 TIP3 2725 4.183 -3.397 0.852 1.00 0.00 WT1 H ATOM 10692 H2 TIP3 2725 7.537 -12.010 -9.566 1.00 0.00 WT1 H ATOM 10693 OH2 TIP3 2726 -1.504 2.730 -10.487 1.00 0.00 WT1 O ATOM 10694 H1 TIP3 2726 4.671 -1.293 -13.762 1.00 0.00 WT1 H ATOM 10695 H2 TIP3 2726 -11.902 17.630 -16.890 1.00 0.00 WT1 H ATOM 10696 OH2 TIP3 2727 4.461 0.794 -1.748 1.00 0.00 WT1 O ATOM 10697 H1 TIP3 2727 14.298 7.057 -11.184 1.00 0.00 WT1 H ATOM 10698 H2 TIP3 2727 -7.298 -4.875 -5.234 1.00 0.00 WT1 H ATOM 10699 OH2 TIP3 2728 -4.463 -3.836 -2.101 1.00 0.00 WT1 O ATOM 10700 H1 TIP3 2728 16.875 -13.156 10.293 1.00 0.00 WT1 H ATOM 10701 H2 TIP3 2728 -14.651 -11.060 -17.294 1.00 0.00 WT1 H ATOM 10702 OH2 TIP3 2729 -3.655 1.899 5.624 1.00 0.00 WT1 O ATOM 10703 H1 TIP3 2729 -11.579 -2.157 -7.275 1.00 0.00 WT1 H ATOM 10704 H2 TIP3 2729 -9.860 0.017 21.487 1.00 0.00 WT1 H ATOM 10705 OH2 TIP3 2730 4.947 0.941 2.268 1.00 0.00 WT1 O ATOM 10706 H1 TIP3 2730 -1.794 0.465 0.235 1.00 0.00 WT1 H ATOM 10707 H2 TIP3 2730 3.751 4.444 0.187 1.00 0.00 WT1 H ATOM 10708 OH2 TIP3 2732 2.004 1.883 5.521 1.00 0.00 WT1 O ATOM 10709 H1 TIP3 2732 -7.646 -23.941 15.597 1.00 0.00 WT1 H ATOM 10710 H2 TIP3 2732 -13.367 15.567 -2.262 1.00 0.00 WT1 H ATOM 10711 OH2 TIP3 2733 3.413 3.587 -2.011 1.00 0.00 WT1 O ATOM 10712 H1 TIP3 2733 -1.515 -0.007 -11.262 1.00 0.00 WT1 H ATOM 10713 H2 TIP3 2733 4.451 5.613 0.431 1.00 0.00 WT1 H ATOM 10714 OH2 TIP3 2734 0.415 -6.498 4.185 1.00 0.00 WT1 O ATOM 10715 H1 TIP3 2734 13.322 -10.889 -9.705 1.00 0.00 WT1 H ATOM 10716 H2 TIP3 2734 -9.667 -4.390 11.013 1.00 0.00 WT1 H ATOM 10717 OH2 TIP3 2735 -1.846 4.565 6.226 1.00 0.00 WT1 O ATOM 10718 H1 TIP3 2735 0.743 2.314 20.466 1.00 0.00 WT1 H ATOM 10719 H2 TIP3 2735 3.137 -1.789 -6.778 1.00 0.00 WT1 H ATOM 10720 OH2 TIP3 2736 -1.064 2.335 2.992 1.00 0.00 WT1 O ATOM 10721 H1 TIP3 2736 3.997 23.355 -13.868 1.00 0.00 WT1 H ATOM 10722 H2 TIP3 2736 6.830 -4.332 8.570 1.00 0.00 WT1 H ATOM 10723 OH2 TIP3 2737 2.931 -5.171 -3.026 1.00 0.00 WT1 O ATOM 10724 H1 TIP3 2737 -5.041 5.921 -11.223 1.00 0.00 WT1 H ATOM 10725 H2 TIP3 2737 8.463 -23.164 11.668 1.00 0.00 WT1 H ATOM 10726 OH2 TIP3 2738 -0.833 -8.500 2.698 1.00 0.00 WT1 O ATOM 10727 H1 TIP3 2738 -8.804 10.267 -34.995 1.00 0.00 WT1 H ATOM 10728 H2 TIP3 2738 -16.912 -3.772 2.460 1.00 0.00 WT1 H ATOM 10729 OH2 TIP3 2739 4.616 -0.955 -6.721 1.00 0.00 WT1 O ATOM 10730 H1 TIP3 2739 -13.559 -14.405 3.814 1.00 0.00 WT1 H ATOM 10731 H2 TIP3 2739 12.705 8.934 0.350 1.00 0.00 WT1 H ATOM 10732 OH2 TIP3 2740 1.699 -3.746 2.952 1.00 0.00 WT1 O ATOM 10733 H1 TIP3 2740 -1.805 8.729 1.053 1.00 0.00 WT1 H ATOM 10734 H2 TIP3 2740 -10.747 0.724 0.489 1.00 0.00 WT1 H ATOM 10735 OH2 TIP3 2741 -2.188 -0.273 0.610 1.00 0.00 WT1 O ATOM 10736 H1 TIP3 2741 -18.066 -16.408 -15.665 1.00 0.00 WT1 H ATOM 10737 H2 TIP3 2741 -4.791 -2.578 -1.831 1.00 0.00 WT1 H ATOM 10738 OH2 TIP3 2742 -4.135 -5.150 6.579 1.00 0.00 WT1 O ATOM 10739 H1 TIP3 2742 -12.604 -11.221 2.252 1.00 0.00 WT1 H ATOM 10740 H2 TIP3 2742 5.796 4.835 -9.507 1.00 0.00 WT1 H ATOM 10741 OH2 TIP3 2743 -0.825 -5.784 -6.993 1.00 0.00 WT1 O ATOM 10742 H1 TIP3 2743 -15.100 -7.907 -3.083 1.00 0.00 WT1 H ATOM 10743 H2 TIP3 2743 -5.673 -4.628 -9.060 1.00 0.00 WT1 H ATOM 10744 OH2 TIP3 2744 1.685 -2.997 3.498 1.00 0.00 WT1 O ATOM 10745 H1 TIP3 2744 -5.166 24.113 5.263 1.00 0.00 WT1 H ATOM 10746 H2 TIP3 2744 -33.020 -9.227 22.985 1.00 0.00 WT1 H ATOM 10747 OH2 TIP3 2745 0.198 1.364 2.738 1.00 0.00 WT1 O ATOM 10748 H1 TIP3 2745 20.477 5.632 12.176 1.00 0.00 WT1 H ATOM 10749 H2 TIP3 2745 6.774 0.800 -8.805 1.00 0.00 WT1 H ATOM 10750 OH2 TIP3 2746 -6.835 -0.308 1.243 1.00 0.00 WT1 O ATOM 10751 H1 TIP3 2746 -23.540 -0.985 -7.236 1.00 0.00 WT1 H ATOM 10752 H2 TIP3 2746 -1.882 13.587 -6.385 1.00 0.00 WT1 H ATOM 10753 OH2 TIP3 2747 0.653 7.078 5.714 1.00 0.00 WT1 O ATOM 10754 H1 TIP3 2747 -1.747 7.981 -2.742 1.00 0.00 WT1 H ATOM 10755 H2 TIP3 2747 6.615 -1.846 18.698 1.00 0.00 WT1 H ATOM 10756 OH2 TIP3 2748 -7.778 -1.355 0.634 1.00 0.00 WT1 O ATOM 10757 H1 TIP3 2748 -6.739 -7.005 -16.403 1.00 0.00 WT1 H ATOM 10758 H2 TIP3 2748 -7.376 1.625 18.112 1.00 0.00 WT1 H ATOM 10759 OH2 TIP3 2749 -0.983 5.324 -0.685 1.00 0.00 WT1 O ATOM 10760 H1 TIP3 2749 5.445 7.160 -10.394 1.00 0.00 WT1 H ATOM 10761 H2 TIP3 2749 0.940 -3.816 0.772 1.00 0.00 WT1 H ATOM 10762 OH2 TIP3 2750 8.594 -5.380 0.017 1.00 0.00 WT1 O ATOM 10763 H1 TIP3 2750 19.574 9.931 -2.606 1.00 0.00 WT1 H ATOM 10764 H2 TIP3 2750 8.088 -4.670 8.384 1.00 0.00 WT1 H ATOM 10765 OH2 TIP3 2752 -1.090 5.770 1.843 1.00 0.00 WT1 O ATOM 10766 H1 TIP3 2752 8.240 11.268 10.416 1.00 0.00 WT1 H ATOM 10767 H2 TIP3 2752 3.865 8.130 -19.156 1.00 0.00 WT1 H ATOM 10768 OH2 TIP3 2753 1.054 1.082 -3.085 1.00 0.00 WT1 O ATOM 10769 H1 TIP3 2753 -0.680 8.636 -9.643 1.00 0.00 WT1 H ATOM 10770 H2 TIP3 2753 3.185 -24.086 19.738 1.00 0.00 WT1 H ATOM 10771 OH2 TIP3 2754 -2.516 3.698 -7.405 1.00 0.00 WT1 O ATOM 10772 H1 TIP3 2754 -1.981 -4.641 -14.232 1.00 0.00 WT1 H ATOM 10773 H2 TIP3 2754 -6.215 -1.437 1.367 1.00 0.00 WT1 H ATOM 10774 OH2 TIP3 2755 -1.200 0.191 1.275 1.00 0.00 WT1 O ATOM 10775 H1 TIP3 2755 -5.143 -3.284 -0.232 1.00 0.00 WT1 H ATOM 10776 H2 TIP3 2755 11.237 12.443 2.573 1.00 0.00 WT1 H ATOM 10777 OH2 TIP3 2756 1.783 1.831 -2.540 1.00 0.00 WT1 O ATOM 10778 H1 TIP3 2756 34.699 -3.418 3.286 1.00 0.00 WT1 H ATOM 10779 H2 TIP3 2756 -10.332 17.843 16.963 1.00 0.00 WT1 H ATOM 10780 OH2 TIP3 2757 1.351 -2.075 -7.232 1.00 0.00 WT1 O ATOM 10781 H1 TIP3 2757 -1.375 -9.072 7.976 1.00 0.00 WT1 H ATOM 10782 H2 TIP3 2757 -9.907 1.722 9.136 1.00 0.00 WT1 H ATOM 10783 OH2 TIP3 2758 1.289 -5.344 -6.998 1.00 0.00 WT1 O ATOM 10784 H1 TIP3 2758 8.489 4.311 17.550 1.00 0.00 WT1 H ATOM 10785 H2 TIP3 2758 2.577 -3.681 -12.989 1.00 0.00 WT1 H ATOM 10786 OH2 TIP3 2760 -0.411 5.445 7.064 1.00 0.00 WT1 O ATOM 10787 H1 TIP3 2760 -6.251 9.140 5.734 1.00 0.00 WT1 H ATOM 10788 H2 TIP3 2760 5.198 2.415 11.316 1.00 0.00 WT1 H ATOM 10789 OH2 TIP3 2761 -2.207 -5.545 1.177 1.00 0.00 WT1 O ATOM 10790 H1 TIP3 2761 10.649 -22.838 11.736 1.00 0.00 WT1 H ATOM 10791 H2 TIP3 2761 5.171 -13.969 7.737 1.00 0.00 WT1 H ATOM 10792 OH2 TIP3 2763 -0.954 -0.304 -2.580 1.00 0.00 WT1 O ATOM 10793 H1 TIP3 2763 -4.409 -16.803 -6.945 1.00 0.00 WT1 H ATOM 10794 H2 TIP3 2763 -1.944 4.046 -9.227 1.00 0.00 WT1 H ATOM 10795 OH2 TIP3 2764 -1.408 6.236 3.294 1.00 0.00 WT1 O ATOM 10796 H1 TIP3 2764 -6.192 9.952 6.264 1.00 0.00 WT1 H ATOM 10797 H2 TIP3 2764 0.237 9.098 3.601 1.00 0.00 WT1 H ATOM 10798 OH2 TIP3 2765 0.971 4.869 3.369 1.00 0.00 WT1 O ATOM 10799 H1 TIP3 2765 -18.732 3.096 -15.025 1.00 0.00 WT1 H ATOM 10800 H2 TIP3 2765 26.743 2.816 -15.208 1.00 0.00 WT1 H ATOM 10801 OH2 TIP3 2766 0.066 -2.855 -2.793 1.00 0.00 WT1 O ATOM 10802 H1 TIP3 2766 -6.865 5.442 -5.405 1.00 0.00 WT1 H ATOM 10803 H2 TIP3 2766 1.807 -3.682 1.638 1.00 0.00 WT1 H ATOM 10804 OH2 TIP3 2767 -4.461 2.550 0.521 1.00 0.00 WT1 O ATOM 10805 H1 TIP3 2767 0.735 10.641 14.743 1.00 0.00 WT1 H ATOM 10806 H2 TIP3 2767 -4.471 7.116 7.726 1.00 0.00 WT1 H ATOM 10807 OH2 TIP3 2769 0.274 -1.516 2.444 1.00 0.00 WT1 O ATOM 10808 H1 TIP3 2769 -13.683 -13.997 3.204 1.00 0.00 WT1 H ATOM 10809 H2 TIP3 2769 7.115 -2.447 3.750 1.00 0.00 WT1 H ATOM 10810 OH2 TIP3 2770 3.693 -5.052 2.274 1.00 0.00 WT1 O ATOM 10811 H1 TIP3 2770 -12.981 0.898 5.885 1.00 0.00 WT1 H ATOM 10812 H2 TIP3 2770 4.476 1.419 8.374 1.00 0.00 WT1 H ATOM 10813 OH2 TIP3 2771 -0.022 2.900 6.668 1.00 0.00 WT1 O ATOM 10814 H1 TIP3 2771 36.655 14.214 2.305 1.00 0.00 WT1 H ATOM 10815 H2 TIP3 2771 -14.101 12.456 -5.505 1.00 0.00 WT1 H ATOM 10816 OH2 TIP3 2772 -3.144 3.903 2.154 1.00 0.00 WT1 O ATOM 10817 H1 TIP3 2772 -9.087 -5.783 15.734 1.00 0.00 WT1 H ATOM 10818 H2 TIP3 2772 -0.311 -2.522 -10.606 1.00 0.00 WT1 H ATOM 10819 OH2 TIP3 2774 2.760 -0.071 2.363 1.00 0.00 WT1 O ATOM 10820 H1 TIP3 2774 26.140 17.728 8.730 1.00 0.00 WT1 H ATOM 10821 H2 TIP3 2774 4.909 1.747 2.876 1.00 0.00 WT1 H ATOM 10822 OH2 TIP3 2775 -1.590 -0.874 6.521 1.00 0.00 WT1 O ATOM 10823 H1 TIP3 2775 -1.016 2.027 1.928 1.00 0.00 WT1 H ATOM 10824 H2 TIP3 2775 -0.542 20.560 12.184 1.00 0.00 WT1 H ATOM 10825 OH2 TIP3 2776 -0.473 1.587 -3.422 1.00 0.00 WT1 O ATOM 10826 H1 TIP3 2776 -2.860 -10.299 0.243 1.00 0.00 WT1 H ATOM 10827 H2 TIP3 2776 13.076 14.185 -6.961 1.00 0.00 WT1 H ATOM 10828 OH2 TIP3 2777 4.725 -6.135 -0.827 1.00 0.00 WT1 O ATOM 10829 H1 TIP3 2777 -9.411 6.677 6.824 1.00 0.00 WT1 H ATOM 10830 H2 TIP3 2777 14.276 -12.163 6.964 1.00 0.00 WT1 H ATOM 10831 OH2 TIP3 2778 -2.667 5.239 -3.082 1.00 0.00 WT1 O ATOM 10832 H1 TIP3 2778 -6.364 -20.196 1.237 1.00 0.00 WT1 H ATOM 10833 H2 TIP3 2778 -16.000 17.506 -19.106 1.00 0.00 WT1 H ATOM 10834 OH2 TIP3 2779 -1.992 2.274 4.839 1.00 0.00 WT1 O ATOM 10835 H1 TIP3 2779 0.183 -4.904 1.064 1.00 0.00 WT1 H ATOM 10836 H2 TIP3 2779 -9.470 -0.463 10.723 1.00 0.00 WT1 H ATOM 10837 OH2 TIP3 2780 5.236 6.885 -3.113 1.00 0.00 WT1 O ATOM 10838 H1 TIP3 2780 -11.823 7.766 12.614 1.00 0.00 WT1 H ATOM 10839 H2 TIP3 2780 8.496 0.816 -11.406 1.00 0.00 WT1 H ATOM 10840 OH2 TIP3 2781 0.278 3.097 -4.816 1.00 0.00 WT1 O ATOM 10841 H1 TIP3 2781 0.788 -2.248 2.891 1.00 0.00 WT1 H ATOM 10842 H2 TIP3 2781 0.748 8.478 -15.959 1.00 0.00 WT1 H ATOM 10843 OH2 TIP3 2784 1.287 -0.100 -1.861 1.00 0.00 WT1 O ATOM 10844 H1 TIP3 2784 10.007 2.484 -3.341 1.00 0.00 WT1 H ATOM 10845 H2 TIP3 2784 -1.410 -8.840 0.505 1.00 0.00 WT1 H ATOM 10846 OH2 TIP3 2785 2.124 -1.404 0.763 1.00 0.00 WT1 O ATOM 10847 H1 TIP3 2785 3.659 24.182 -4.999 1.00 0.00 WT1 H ATOM 10848 H2 TIP3 2785 -0.956 4.073 -1.099 1.00 0.00 WT1 H ATOM 10849 OH2 TIP3 2786 1.878 -3.336 0.545 1.00 0.00 WT1 O ATOM 10850 H1 TIP3 2786 -20.088 0.337 9.751 1.00 0.00 WT1 H ATOM 10851 H2 TIP3 2786 -17.442 9.434 8.524 1.00 0.00 WT1 H ATOM 10852 OH2 TIP3 2788 -1.497 4.872 1.510 1.00 0.00 WT1 O ATOM 10853 H1 TIP3 2788 -10.340 7.120 -0.186 1.00 0.00 WT1 H ATOM 10854 H2 TIP3 2788 2.946 12.370 -7.725 1.00 0.00 WT1 H ATOM 10855 OH2 TIP3 2789 3.847 -3.197 5.030 1.00 0.00 WT1 O ATOM 10856 H1 TIP3 2789 -0.110 -12.096 16.045 1.00 0.00 WT1 H ATOM 10857 H2 TIP3 2789 10.807 -1.795 -0.179 1.00 0.00 WT1 H ATOM 10858 OH2 TIP3 2791 4.463 2.901 2.411 1.00 0.00 WT1 O ATOM 10859 H1 TIP3 2791 9.188 12.949 6.182 1.00 0.00 WT1 H ATOM 10860 H2 TIP3 2791 22.876 28.771 12.052 1.00 0.00 WT1 H ATOM 10861 OH2 TIP3 2792 1.990 -0.941 0.978 1.00 0.00 WT1 O ATOM 10862 H1 TIP3 2792 1.446 -0.622 14.759 1.00 0.00 WT1 H ATOM 10863 H2 TIP3 2792 12.573 -6.220 10.308 1.00 0.00 WT1 H ATOM 10864 OH2 TIP3 2794 2.066 -5.683 -6.785 1.00 0.00 WT1 O ATOM 10865 H1 TIP3 2794 -1.025 -12.295 3.455 1.00 0.00 WT1 H ATOM 10866 H2 TIP3 2794 11.276 -12.695 -11.921 1.00 0.00 WT1 H ATOM 10867 OH2 TIP3 2795 -9.405 -2.510 -0.169 1.00 0.00 WT1 O ATOM 10868 H1 TIP3 2795 -1.439 3.082 -3.416 1.00 0.00 WT1 H ATOM 10869 H2 TIP3 2795 -7.230 -5.074 8.419 1.00 0.00 WT1 H ATOM 10870 OH2 TIP3 2796 2.609 -0.739 4.276 1.00 0.00 WT1 O ATOM 10871 H1 TIP3 2796 3.930 7.776 20.276 1.00 0.00 WT1 H ATOM 10872 H2 TIP3 2796 -10.122 -8.407 -14.512 1.00 0.00 WT1 H ATOM 10873 OH2 TIP3 2797 1.877 5.873 2.905 1.00 0.00 WT1 O ATOM 10874 H1 TIP3 2797 -1.007 -12.237 -14.314 1.00 0.00 WT1 H ATOM 10875 H2 TIP3 2797 -4.241 -24.108 -23.688 1.00 0.00 WT1 H ATOM 10876 OH2 TIP3 2798 -2.535 -1.200 -5.718 1.00 0.00 WT1 O ATOM 10877 H1 TIP3 2798 1.660 -3.694 -14.737 1.00 0.00 WT1 H ATOM 10878 H2 TIP3 2798 -14.575 -4.004 -2.276 1.00 0.00 WT1 H ATOM 10879 OH2 TIP3 2800 -0.796 5.028 1.124 1.00 0.00 WT1 O ATOM 10880 H1 TIP3 2800 -2.845 3.485 6.983 1.00 0.00 WT1 H ATOM 10881 H2 TIP3 2800 34.049 11.344 6.940 1.00 0.00 WT1 H ATOM 10882 OH2 TIP3 2801 -2.808 -1.051 -0.114 1.00 0.00 WT1 O ATOM 10883 H1 TIP3 2801 -12.306 20.714 0.116 1.00 0.00 WT1 H ATOM 10884 H2 TIP3 2801 11.988 -32.138 0.096 1.00 0.00 WT1 H ATOM 10885 OH2 TIP3 2802 -1.278 2.459 0.573 1.00 0.00 WT1 O ATOM 10886 H1 TIP3 2802 4.509 5.412 3.676 1.00 0.00 WT1 H ATOM 10887 H2 TIP3 2802 -1.150 -1.756 8.774 1.00 0.00 WT1 H ATOM 10888 OH2 TIP3 2804 -2.657 -2.843 -3.132 1.00 0.00 WT1 O ATOM 10889 H1 TIP3 2804 -0.423 -14.492 18.486 1.00 0.00 WT1 H ATOM 10890 H2 TIP3 2804 34.594 5.579 8.380 1.00 0.00 WT1 H ATOM 10891 OH2 TIP3 2806 -2.056 -0.739 3.233 1.00 0.00 WT1 O ATOM 10892 H1 TIP3 2806 -5.309 -11.034 11.234 1.00 0.00 WT1 H ATOM 10893 H2 TIP3 2806 -3.284 -11.344 26.997 1.00 0.00 WT1 H ATOM 10894 OH2 TIP3 2809 7.584 0.048 6.976 1.00 0.00 WT1 O ATOM 10895 H1 TIP3 2809 -16.200 -0.339 15.422 1.00 0.00 WT1 H ATOM 10896 H2 TIP3 2809 13.851 18.865 -3.307 1.00 0.00 WT1 H ATOM 10897 OH2 TIP3 2810 -0.491 2.333 1.349 1.00 0.00 WT1 O ATOM 10898 H1 TIP3 2810 -15.981 -4.404 14.022 1.00 0.00 WT1 H ATOM 10899 H2 TIP3 2810 4.627 5.319 -5.467 1.00 0.00 WT1 H ATOM 10900 OH2 TIP3 2811 -0.221 -6.111 4.204 1.00 0.00 WT1 O ATOM 10901 H1 TIP3 2811 -7.322 2.471 -6.340 1.00 0.00 WT1 H ATOM 10902 H2 TIP3 2811 6.804 -17.509 1.281 1.00 0.00 WT1 H ATOM 10903 OH2 TIP3 2812 2.847 7.841 -3.704 1.00 0.00 WT1 O ATOM 10904 H1 TIP3 2812 7.251 1.448 -8.471 1.00 0.00 WT1 H ATOM 10905 H2 TIP3 2812 -1.421 3.358 2.378 1.00 0.00 WT1 H ATOM 10906 OH2 TIP3 2813 4.053 0.189 -0.386 1.00 0.00 WT1 O ATOM 10907 H1 TIP3 2813 17.900 -4.031 6.433 1.00 0.00 WT1 H ATOM 10908 H2 TIP3 2813 -7.205 -6.957 2.766 1.00 0.00 WT1 H ATOM 10909 OH2 TIP3 2814 5.928 -6.355 2.080 1.00 0.00 WT1 O ATOM 10910 H1 TIP3 2814 -0.658 3.977 -3.892 1.00 0.00 WT1 H ATOM 10911 H2 TIP3 2814 3.298 -7.284 11.588 1.00 0.00 WT1 H ATOM 10912 OH2 TIP3 2815 4.977 4.009 -2.106 1.00 0.00 WT1 O ATOM 10913 H1 TIP3 2815 1.742 10.841 -3.918 1.00 0.00 WT1 H ATOM 10914 H2 TIP3 2815 -4.259 -9.311 -8.924 1.00 0.00 WT1 H ATOM 10915 OH2 TIP3 2816 1.150 -4.936 -4.154 1.00 0.00 WT1 O ATOM 10916 H1 TIP3 2816 3.293 -25.651 -5.341 1.00 0.00 WT1 H ATOM 10917 H2 TIP3 2816 -11.640 10.018 -14.315 1.00 0.00 WT1 H ATOM 10918 OH2 TIP3 2817 -2.625 4.687 2.700 1.00 0.00 WT1 O ATOM 10919 H1 TIP3 2817 -9.211 10.944 -0.600 1.00 0.00 WT1 H ATOM 10920 H2 TIP3 2817 -4.915 11.771 -9.608 1.00 0.00 WT1 H ATOM 10921 OH2 TIP3 2818 0.372 0.849 -0.518 1.00 0.00 WT1 O ATOM 10922 H1 TIP3 2818 -8.125 -0.444 -8.948 1.00 0.00 WT1 H ATOM 10923 H2 TIP3 2818 -4.632 5.422 -8.125 1.00 0.00 WT1 H ATOM 10924 OH2 TIP3 2819 -2.635 2.753 -0.251 1.00 0.00 WT1 O ATOM 10925 H1 TIP3 2819 9.206 17.888 5.687 1.00 0.00 WT1 H ATOM 10926 H2 TIP3 2819 -13.148 9.287 22.376 1.00 0.00 WT1 H ATOM 10927 OH2 TIP3 2820 -6.028 -4.498 8.991 1.00 0.00 WT1 O ATOM 10928 H1 TIP3 2820 -1.823 -5.969 10.056 1.00 0.00 WT1 H ATOM 10929 H2 TIP3 2820 -20.307 -15.608 -0.253 1.00 0.00 WT1 H ATOM 10930 OH2 TIP3 2821 6.381 5.003 -0.529 1.00 0.00 WT1 O ATOM 10931 H1 TIP3 2821 20.742 1.161 -12.777 1.00 0.00 WT1 H ATOM 10932 H2 TIP3 2821 3.587 -7.407 -9.325 1.00 0.00 WT1 H ATOM 10933 OH2 TIP3 2822 1.184 6.841 1.240 1.00 0.00 WT1 O ATOM 10934 H1 TIP3 2822 -18.190 -3.216 -4.383 1.00 0.00 WT1 H ATOM 10935 H2 TIP3 2822 7.339 -20.081 -4.104 1.00 0.00 WT1 H ATOM 10936 OH2 TIP3 2823 -1.613 2.715 0.980 1.00 0.00 WT1 O ATOM 10937 H1 TIP3 2823 4.394 3.531 -2.387 1.00 0.00 WT1 H ATOM 10938 H2 TIP3 2823 -4.841 -7.589 -1.339 1.00 0.00 WT1 H ATOM 10939 OH2 TIP3 2824 1.058 4.411 -3.414 1.00 0.00 WT1 O ATOM 10940 H1 TIP3 2824 5.407 -12.360 -5.683 1.00 0.00 WT1 H ATOM 10941 H2 TIP3 2824 10.695 10.337 -16.090 1.00 0.00 WT1 H ATOM 10942 OH2 TIP3 2825 3.879 3.801 -7.710 1.00 0.00 WT1 O ATOM 10943 H1 TIP3 2825 -4.030 -2.035 4.849 1.00 0.00 WT1 H ATOM 10944 H2 TIP3 2825 -2.924 -14.771 -1.731 1.00 0.00 WT1 H ATOM 10945 OH2 TIP3 2826 -4.169 0.295 0.365 1.00 0.00 WT1 O ATOM 10946 H1 TIP3 2826 -8.536 -2.544 -16.645 1.00 0.00 WT1 H ATOM 10947 H2 TIP3 2826 -2.884 -18.093 19.097 1.00 0.00 WT1 H ATOM 10948 OH2 TIP3 2827 -1.152 -1.621 -0.911 1.00 0.00 WT1 O ATOM 10949 H1 TIP3 2827 -6.603 3.885 1.022 1.00 0.00 WT1 H ATOM 10950 H2 TIP3 2827 -3.341 32.257 4.142 1.00 0.00 WT1 H ATOM 10951 OH2 TIP3 2830 2.857 -8.183 -0.729 1.00 0.00 WT1 O ATOM 10952 H1 TIP3 2830 15.956 4.699 -2.862 1.00 0.00 WT1 H ATOM 10953 H2 TIP3 2830 -11.359 -18.965 -1.295 1.00 0.00 WT1 H ATOM 10954 OH2 TIP3 2831 1.339 -0.028 -6.843 1.00 0.00 WT1 O ATOM 10955 H1 TIP3 2831 -10.711 2.484 -15.354 1.00 0.00 WT1 H ATOM 10956 H2 TIP3 2831 -22.751 21.105 -4.672 1.00 0.00 WT1 H ATOM 10957 OH2 TIP3 2832 -0.944 -3.684 -3.115 1.00 0.00 WT1 O ATOM 10958 H1 TIP3 2832 5.194 -1.054 11.403 1.00 0.00 WT1 H ATOM 10959 H2 TIP3 2832 -4.414 11.178 -7.957 1.00 0.00 WT1 H ATOM 10960 OH2 TIP3 2833 -1.345 4.167 4.474 1.00 0.00 WT1 O ATOM 10961 H1 TIP3 2833 3.345 0.586 -16.631 1.00 0.00 WT1 H ATOM 10962 H2 TIP3 2833 -16.578 -5.455 -2.227 1.00 0.00 WT1 H ATOM 10963 OH2 TIP3 2834 -1.799 2.421 1.138 1.00 0.00 WT1 O ATOM 10964 H1 TIP3 2834 30.145 13.588 13.263 1.00 0.00 WT1 H ATOM 10965 H2 TIP3 2834 1.279 -31.633 12.113 1.00 0.00 WT1 H ATOM 10966 OH2 TIP3 2835 2.152 -0.409 1.125 1.00 0.00 WT1 O ATOM 10967 H1 TIP3 2835 4.086 -2.368 -3.088 1.00 0.00 WT1 H ATOM 10968 H2 TIP3 2835 2.233 -14.900 -5.761 1.00 0.00 WT1 H ATOM 10969 OH2 TIP3 2836 -8.694 2.840 -3.085 1.00 0.00 WT1 O ATOM 10970 H1 TIP3 2836 -22.063 9.479 4.162 1.00 0.00 WT1 H ATOM 10971 H2 TIP3 2836 3.152 14.431 0.151 1.00 0.00 WT1 H ATOM 10972 OH2 TIP3 2837 1.935 1.617 -7.510 1.00 0.00 WT1 O ATOM 10973 H1 TIP3 2837 -14.774 -23.566 -1.457 1.00 0.00 WT1 H ATOM 10974 H2 TIP3 2837 -6.382 23.716 -20.578 1.00 0.00 WT1 H ATOM 10975 OH2 TIP3 2838 0.340 -0.314 -3.880 1.00 0.00 WT1 O ATOM 10976 H1 TIP3 2838 9.948 19.678 -10.180 1.00 0.00 WT1 H ATOM 10977 H2 TIP3 2838 -2.780 -16.043 8.255 1.00 0.00 WT1 H ATOM 10978 OH2 TIP3 2839 -5.047 -0.772 -7.286 1.00 0.00 WT1 O ATOM 10979 H1 TIP3 2839 -9.293 -1.955 6.540 1.00 0.00 WT1 H ATOM 10980 H2 TIP3 2839 -2.167 -3.504 -15.727 1.00 0.00 WT1 H ATOM 10981 OH2 TIP3 2840 1.647 5.207 -4.273 1.00 0.00 WT1 O ATOM 10982 H1 TIP3 2840 -8.355 -3.873 7.202 1.00 0.00 WT1 H ATOM 10983 H2 TIP3 2840 -21.998 -6.170 11.767 1.00 0.00 WT1 H ATOM 10984 OH2 TIP3 2841 4.455 2.921 0.875 1.00 0.00 WT1 O ATOM 10985 H1 TIP3 2841 4.185 3.067 14.047 1.00 0.00 WT1 H ATOM 10986 H2 TIP3 2841 -6.004 -1.867 -14.324 1.00 0.00 WT1 H ATOM 10987 OH2 TIP3 2842 6.838 0.004 1.784 1.00 0.00 WT1 O ATOM 10988 H1 TIP3 2842 -9.223 8.600 -5.808 1.00 0.00 WT1 H ATOM 10989 H2 TIP3 2842 17.444 5.556 -15.017 1.00 0.00 WT1 H ATOM 10990 OH2 TIP3 2843 -2.106 4.393 0.686 1.00 0.00 WT1 O ATOM 10991 H1 TIP3 2843 11.004 12.136 -0.514 1.00 0.00 WT1 H ATOM 10992 H2 TIP3 2843 -19.803 9.082 7.748 1.00 0.00 WT1 H ATOM 10993 OH2 TIP3 2844 -5.735 7.600 3.503 1.00 0.00 WT1 O ATOM 10994 H1 TIP3 2844 -7.688 -6.744 12.052 1.00 0.00 WT1 H ATOM 10995 H2 TIP3 2844 -8.597 -12.830 5.184 1.00 0.00 WT1 H ATOM 10996 OH2 TIP3 2845 2.015 -4.824 2.138 1.00 0.00 WT1 O ATOM 10997 H1 TIP3 2845 -2.254 -7.271 6.250 1.00 0.00 WT1 H ATOM 10998 H2 TIP3 2845 -3.005 -8.561 9.940 1.00 0.00 WT1 H ATOM 10999 OH2 TIP3 2846 -4.889 3.202 0.212 1.00 0.00 WT1 O ATOM 11000 H1 TIP3 2846 -3.914 0.715 14.159 1.00 0.00 WT1 H ATOM 11001 H2 TIP3 2846 -14.453 -1.860 -10.502 1.00 0.00 WT1 H ATOM 11002 OH2 TIP3 2849 7.065 -0.731 -0.292 1.00 0.00 WT1 O ATOM 11003 H1 TIP3 2849 20.860 -4.505 -11.400 1.00 0.00 WT1 H ATOM 11004 H2 TIP3 2849 -1.740 -17.957 4.993 1.00 0.00 WT1 H ATOM 11005 OH2 TIP3 2851 -7.344 -1.999 11.041 1.00 0.00 WT1 O ATOM 11006 H1 TIP3 2851 16.311 -15.898 2.916 1.00 0.00 WT1 H ATOM 11007 H2 TIP3 2851 -10.355 -13.732 -3.917 1.00 0.00 WT1 H ATOM 11008 OH2 TIP3 2852 5.940 1.189 -2.811 1.00 0.00 WT1 O ATOM 11009 H1 TIP3 2852 21.768 -19.604 -18.711 1.00 0.00 WT1 H ATOM 11010 H2 TIP3 2852 15.625 -11.195 -12.124 1.00 0.00 WT1 H ATOM 11011 OH2 TIP3 2853 0.619 4.595 0.624 1.00 0.00 WT1 O ATOM 11012 H1 TIP3 2853 -1.829 9.205 18.429 1.00 0.00 WT1 H ATOM 11013 H2 TIP3 2853 11.120 -1.971 -14.294 1.00 0.00 WT1 H ATOM 11014 OH2 TIP3 2854 7.749 0.072 4.070 1.00 0.00 WT1 O ATOM 11015 H1 TIP3 2854 20.404 10.020 -4.423 1.00 0.00 WT1 H ATOM 11016 H2 TIP3 2854 0.391 -11.474 1.373 1.00 0.00 WT1 H ATOM 11017 OH2 TIP3 2855 -1.226 -0.729 4.767 1.00 0.00 WT1 O ATOM 11018 H1 TIP3 2855 -6.885 7.107 13.266 1.00 0.00 WT1 H ATOM 11019 H2 TIP3 2855 2.977 6.065 -1.282 1.00 0.00 WT1 H ATOM 11020 OH2 TIP3 2856 0.612 1.467 -4.819 1.00 0.00 WT1 O ATOM 11021 H1 TIP3 2856 -3.636 1.011 0.802 1.00 0.00 WT1 H ATOM 11022 H2 TIP3 2856 -6.414 -5.507 14.950 1.00 0.00 WT1 H ATOM 11023 OH2 TIP3 2857 -3.111 1.490 0.653 1.00 0.00 WT1 O ATOM 11024 H1 TIP3 2857 -13.524 0.004 -18.900 1.00 0.00 WT1 H ATOM 11025 H2 TIP3 2857 7.819 -8.582 -7.267 1.00 0.00 WT1 H ATOM 11026 OH2 TIP3 2858 -2.998 10.286 1.750 1.00 0.00 WT1 O ATOM 11027 H1 TIP3 2858 -12.623 16.982 -8.179 1.00 0.00 WT1 H ATOM 11028 H2 TIP3 2858 2.652 7.653 4.432 1.00 0.00 WT1 H ATOM 11029 OH2 TIP3 2859 -1.301 -0.278 3.317 1.00 0.00 WT1 O ATOM 11030 H1 TIP3 2859 9.090 2.506 -14.730 1.00 0.00 WT1 H ATOM 11031 H2 TIP3 2859 -17.326 -6.768 -4.904 1.00 0.00 WT1 H ATOM 11032 OH2 TIP3 2860 -2.345 -1.442 4.937 1.00 0.00 WT1 O ATOM 11033 H1 TIP3 2860 -6.454 -8.476 -8.577 1.00 0.00 WT1 H ATOM 11034 H2 TIP3 2860 -4.313 -2.779 -3.843 1.00 0.00 WT1 H ATOM 11035 OH2 TIP3 2861 -2.439 -2.449 7.711 1.00 0.00 WT1 O ATOM 11036 H1 TIP3 2861 -9.397 -3.682 2.010 1.00 0.00 WT1 H ATOM 11037 H2 TIP3 2861 1.722 -9.275 6.194 1.00 0.00 WT1 H ATOM 11038 OH2 TIP3 2862 0.468 0.322 -1.824 1.00 0.00 WT1 O ATOM 11039 H1 TIP3 2862 5.619 3.211 -2.498 1.00 0.00 WT1 H ATOM 11040 H2 TIP3 2862 -2.376 0.322 -7.269 1.00 0.00 WT1 H ATOM 11041 OH2 TIP3 2863 6.073 -5.409 -5.212 1.00 0.00 WT1 O ATOM 11042 H1 TIP3 2863 14.265 -22.762 4.101 1.00 0.00 WT1 H ATOM 11043 H2 TIP3 2863 12.834 -2.012 1.771 1.00 0.00 WT1 H ATOM 11044 OH2 TIP3 2864 0.533 2.983 -5.110 1.00 0.00 WT1 O ATOM 11045 H1 TIP3 2864 9.377 1.905 5.626 1.00 0.00 WT1 H ATOM 11046 H2 TIP3 2864 1.725 -4.963 5.831 1.00 0.00 WT1 H ATOM 11047 OH2 TIP3 2865 -5.250 -7.953 -4.186 1.00 0.00 WT1 O ATOM 11048 H1 TIP3 2865 3.190 20.804 -0.965 1.00 0.00 WT1 H ATOM 11049 H2 TIP3 2865 -16.264 3.685 -3.340 1.00 0.00 WT1 H ATOM 11050 OH2 TIP3 2866 3.611 1.823 -6.124 1.00 0.00 WT1 O ATOM 11051 H1 TIP3 2866 -2.903 0.660 -12.662 1.00 0.00 WT1 H ATOM 11052 H2 TIP3 2866 2.042 -10.915 -7.381 1.00 0.00 WT1 H ATOM 11053 OH2 TIP3 2867 5.240 -0.956 2.846 1.00 0.00 WT1 O ATOM 11054 H1 TIP3 2867 4.244 3.273 11.929 1.00 0.00 WT1 H ATOM 11055 H2 TIP3 2867 3.836 -9.538 2.258 1.00 0.00 WT1 H ATOM 11056 OH2 TIP3 2868 -4.876 1.541 2.076 1.00 0.00 WT1 O ATOM 11057 H1 TIP3 2868 -5.447 6.244 6.045 1.00 0.00 WT1 H ATOM 11058 H2 TIP3 2868 -4.263 -3.357 -16.803 1.00 0.00 WT1 H ATOM 11059 OH2 TIP3 2871 4.184 2.101 -0.721 1.00 0.00 WT1 O ATOM 11060 H1 TIP3 2871 4.622 -1.512 -4.289 1.00 0.00 WT1 H ATOM 11061 H2 TIP3 2871 0.721 5.544 8.411 1.00 0.00 WT1 H ATOM 11062 OH2 TIP3 2872 1.545 0.036 -2.664 1.00 0.00 WT1 O ATOM 11063 H1 TIP3 2872 -8.114 -0.645 3.258 1.00 0.00 WT1 H ATOM 11064 H2 TIP3 2872 -6.075 -0.994 1.058 1.00 0.00 WT1 H ATOM 11065 OH2 TIP3 2873 -1.196 6.050 -1.072 1.00 0.00 WT1 O ATOM 11066 H1 TIP3 2873 -3.959 1.803 1.236 1.00 0.00 WT1 H ATOM 11067 H2 TIP3 2873 6.193 7.737 -7.213 1.00 0.00 WT1 H ATOM 11068 OH2 TIP3 2874 -4.234 0.738 5.046 1.00 0.00 WT1 O ATOM 11069 H1 TIP3 2874 7.033 17.023 25.616 1.00 0.00 WT1 H ATOM 11070 H2 TIP3 2874 -14.679 -17.463 20.449 1.00 0.00 WT1 H ATOM 11071 OH2 TIP3 2875 0.234 -5.515 5.868 1.00 0.00 WT1 O ATOM 11072 H1 TIP3 2875 1.412 -2.667 -2.756 1.00 0.00 WT1 H ATOM 11073 H2 TIP3 2875 19.283 -13.822 -14.523 1.00 0.00 WT1 H ATOM 11074 OH2 TIP3 2876 -0.800 3.691 -2.210 1.00 0.00 WT1 O ATOM 11075 H1 TIP3 2876 -10.312 5.215 -5.918 1.00 0.00 WT1 H ATOM 11076 H2 TIP3 2876 -6.297 0.918 6.608 1.00 0.00 WT1 H ATOM 11077 OH2 TIP3 2877 2.671 1.012 9.413 1.00 0.00 WT1 O ATOM 11078 H1 TIP3 2877 -1.252 -8.239 2.311 1.00 0.00 WT1 H ATOM 11079 H2 TIP3 2877 13.022 3.541 5.305 1.00 0.00 WT1 H ATOM 11080 OH2 TIP3 2878 4.118 -5.797 -1.566 1.00 0.00 WT1 O ATOM 11081 H1 TIP3 2878 4.209 -9.115 -12.603 1.00 0.00 WT1 H ATOM 11082 H2 TIP3 2878 3.176 -9.213 -2.692 1.00 0.00 WT1 H ATOM 11083 OH2 TIP3 2879 -1.877 5.578 -0.880 1.00 0.00 WT1 O ATOM 11084 H1 TIP3 2879 0.745 17.824 1.815 1.00 0.00 WT1 H ATOM 11085 H2 TIP3 2879 52.803 1.121 -5.843 1.00 0.00 WT1 H ATOM 11086 OH2 TIP3 2880 -0.867 -1.006 0.879 1.00 0.00 WT1 O ATOM 11087 H1 TIP3 2880 -11.432 -10.824 1.783 1.00 0.00 WT1 H ATOM 11088 H2 TIP3 2880 12.508 -10.678 5.965 1.00 0.00 WT1 H ATOM 11089 OH2 TIP3 2881 3.733 0.353 3.344 1.00 0.00 WT1 O ATOM 11090 H1 TIP3 2881 10.506 -18.743 2.458 1.00 0.00 WT1 H ATOM 11091 H2 TIP3 2881 8.237 26.017 9.237 1.00 0.00 WT1 H ATOM 11092 OH2 TIP3 2882 -7.366 -1.121 -1.824 1.00 0.00 WT1 O ATOM 11093 H1 TIP3 2882 -2.061 -31.560 19.943 1.00 0.00 WT1 H ATOM 11094 H2 TIP3 2882 -7.692 25.630 -14.364 1.00 0.00 WT1 H ATOM 11095 OH2 TIP3 2883 9.628 1.500 6.802 1.00 0.00 WT1 O ATOM 11096 H1 TIP3 2883 3.616 -1.147 -14.931 1.00 0.00 WT1 H ATOM 11097 H2 TIP3 2883 15.600 -4.316 14.474 1.00 0.00 WT1 H ATOM 11098 OH2 TIP3 2884 1.636 0.080 -2.140 1.00 0.00 WT1 O ATOM 11099 H1 TIP3 2884 -20.494 23.575 -16.956 1.00 0.00 WT1 H ATOM 11100 H2 TIP3 2884 -3.762 5.616 -5.390 1.00 0.00 WT1 H ATOM 11101 OH2 TIP3 2886 -3.218 -4.878 -5.164 1.00 0.00 WT1 O ATOM 11102 H1 TIP3 2886 -2.010 7.327 -10.231 1.00 0.00 WT1 H ATOM 11103 H2 TIP3 2886 11.089 -16.653 11.142 1.00 0.00 WT1 H ATOM 11104 OH2 TIP3 2887 -4.731 1.289 3.976 1.00 0.00 WT1 O ATOM 11105 H1 TIP3 2887 -3.023 10.774 5.815 1.00 0.00 WT1 H ATOM 11106 H2 TIP3 2887 -4.029 -14.661 -9.625 1.00 0.00 WT1 H ATOM 11107 OH2 TIP3 2889 4.721 -0.667 1.830 1.00 0.00 WT1 O ATOM 11108 H1 TIP3 2889 10.910 -10.093 15.173 1.00 0.00 WT1 H ATOM 11109 H2 TIP3 2889 8.690 -6.572 11.558 1.00 0.00 WT1 H ATOM 11110 OH2 TIP3 2890 -3.513 11.614 -2.037 1.00 0.00 WT1 O ATOM 11111 H1 TIP3 2890 -4.430 6.156 4.786 1.00 0.00 WT1 H ATOM 11112 H2 TIP3 2890 2.016 24.332 -0.728 1.00 0.00 WT1 H ATOM 11113 OH2 TIP3 2891 -5.263 -0.828 0.024 1.00 0.00 WT1 O ATOM 11114 H1 TIP3 2891 -18.220 -3.411 -3.697 1.00 0.00 WT1 H ATOM 11115 H2 TIP3 2891 -32.189 -11.793 10.813 1.00 0.00 WT1 H ATOM 11116 OH2 TIP3 2894 5.422 6.895 3.117 1.00 0.00 WT1 O ATOM 11117 H1 TIP3 2894 -11.351 28.665 30.987 1.00 0.00 WT1 H ATOM 11118 H2 TIP3 2894 -15.066 -4.915 -26.777 1.00 0.00 WT1 H ATOM 11119 OH2 TIP3 2895 1.409 -1.207 0.510 1.00 0.00 WT1 O ATOM 11120 H1 TIP3 2895 11.083 8.666 -23.514 1.00 0.00 WT1 H ATOM 11121 H2 TIP3 2895 12.865 4.512 6.175 1.00 0.00 WT1 H ATOM 11122 OH2 TIP3 2896 1.130 -1.557 -3.721 1.00 0.00 WT1 O ATOM 11123 H1 TIP3 2896 -14.224 0.622 -8.137 1.00 0.00 WT1 H ATOM 11124 H2 TIP3 2896 9.952 1.346 3.745 1.00 0.00 WT1 H ATOM 11125 OH2 TIP3 2898 5.049 -8.000 -1.102 1.00 0.00 WT1 O ATOM 11126 H1 TIP3 2898 10.707 -4.699 2.662 1.00 0.00 WT1 H ATOM 11127 H2 TIP3 2898 2.432 -12.979 -1.603 1.00 0.00 WT1 H ATOM 11128 OH2 TIP3 2899 -4.404 -1.223 3.791 1.00 0.00 WT1 O ATOM 11129 H1 TIP3 2899 1.530 1.388 3.434 1.00 0.00 WT1 H ATOM 11130 H2 TIP3 2899 5.967 6.294 4.480 1.00 0.00 WT1 H ATOM 11131 OH2 TIP3 2900 3.752 3.609 -1.129 1.00 0.00 WT1 O ATOM 11132 H1 TIP3 2900 -1.872 19.966 -0.104 1.00 0.00 WT1 H ATOM 11133 H2 TIP3 2900 9.470 4.954 -31.772 1.00 0.00 WT1 H ATOM 11134 OH2 TIP3 2901 3.299 -2.383 -0.478 1.00 0.00 WT1 O ATOM 11135 H1 TIP3 2901 13.056 1.103 -0.602 1.00 0.00 WT1 H ATOM 11136 H2 TIP3 2901 -9.270 -20.453 2.560 1.00 0.00 WT1 H ATOM 11137 OH2 TIP3 2902 5.820 -3.040 -3.468 1.00 0.00 WT1 O ATOM 11138 H1 TIP3 2902 14.367 -4.604 -15.493 1.00 0.00 WT1 H ATOM 11139 H2 TIP3 2902 19.935 19.869 -0.436 1.00 0.00 WT1 H ATOM 11140 OH2 TIP3 2903 -6.030 -0.027 0.522 1.00 0.00 WT1 O ATOM 11141 H1 TIP3 2903 -2.697 -8.714 13.902 1.00 0.00 WT1 H ATOM 11142 H2 TIP3 2903 -6.098 15.254 5.762 1.00 0.00 WT1 H ATOM 11143 OH2 TIP3 2904 3.225 1.381 2.396 1.00 0.00 WT1 O ATOM 11144 H1 TIP3 2904 -1.813 19.608 -2.325 1.00 0.00 WT1 H ATOM 11145 H2 TIP3 2904 10.450 -0.758 -1.293 1.00 0.00 WT1 H ATOM 11146 OH2 TIP3 2905 2.759 0.818 -2.898 1.00 0.00 WT1 O ATOM 11147 H1 TIP3 2905 -34.392 3.869 -27.388 1.00 0.00 WT1 H ATOM 11148 H2 TIP3 2905 31.435 -14.661 1.998 1.00 0.00 WT1 H ATOM 11149 OH2 TIP3 2906 -2.354 4.311 0.710 1.00 0.00 WT1 O ATOM 11150 H1 TIP3 2906 19.261 -4.061 -3.346 1.00 0.00 WT1 H ATOM 11151 H2 TIP3 2906 -14.163 15.341 0.900 1.00 0.00 WT1 H ATOM 11152 OH2 TIP3 2908 6.056 0.653 -6.840 1.00 0.00 WT1 O ATOM 11153 H1 TIP3 2908 6.911 -17.331 -20.884 1.00 0.00 WT1 H ATOM 11154 H2 TIP3 2908 -3.189 -8.228 11.392 1.00 0.00 WT1 H ATOM 11155 OH2 TIP3 2909 -1.658 2.581 5.122 1.00 0.00 WT1 O ATOM 11156 H1 TIP3 2909 -0.589 18.204 -8.693 1.00 0.00 WT1 H ATOM 11157 H2 TIP3 2909 -0.927 -18.127 -8.345 1.00 0.00 WT1 H ATOM 11158 OH2 TIP3 2910 -6.696 -5.438 -0.896 1.00 0.00 WT1 O ATOM 11159 H1 TIP3 2910 -12.191 -4.662 -7.995 1.00 0.00 WT1 H ATOM 11160 H2 TIP3 2910 -11.729 -6.836 -1.015 1.00 0.00 WT1 H ATOM 11161 OH2 TIP3 2912 0.589 1.465 1.323 1.00 0.00 WT1 O ATOM 11162 H1 TIP3 2912 -9.269 -7.786 -11.306 1.00 0.00 WT1 H ATOM 11163 H2 TIP3 2912 16.785 -13.670 -8.573 1.00 0.00 WT1 H ATOM 11164 OH2 TIP3 2913 -0.773 -1.147 3.355 1.00 0.00 WT1 O ATOM 11165 H1 TIP3 2913 19.998 7.156 -7.846 1.00 0.00 WT1 H ATOM 11166 H2 TIP3 2913 4.080 2.131 10.007 1.00 0.00 WT1 H ATOM 11167 OH2 TIP3 2914 -0.693 -3.674 6.135 1.00 0.00 WT1 O ATOM 11168 H1 TIP3 2914 14.676 -13.822 -1.751 1.00 0.00 WT1 H ATOM 11169 H2 TIP3 2914 -36.140 37.577 16.265 1.00 0.00 WT1 H ATOM 11170 OH2 TIP3 2916 0.706 8.838 -8.771 1.00 0.00 WT1 O ATOM 11171 H1 TIP3 2916 -1.253 8.160 -10.579 1.00 0.00 WT1 H ATOM 11172 H2 TIP3 2916 0.061 8.378 -9.684 1.00 0.00 WT1 H ATOM 11173 OH2 TIP3 2917 2.729 -1.467 4.090 1.00 0.00 WT1 O ATOM 11174 H1 TIP3 2917 4.668 -4.593 2.894 1.00 0.00 WT1 H ATOM 11175 H2 TIP3 2917 2.112 -0.834 4.670 1.00 0.00 WT1 H ATOM 11176 OH2 TIP3 2918 1.936 -5.020 2.150 1.00 0.00 WT1 O ATOM 11177 H1 TIP3 2918 -2.188 5.472 2.568 1.00 0.00 WT1 H ATOM 11178 H2 TIP3 2918 -0.944 -2.442 -3.624 1.00 0.00 WT1 H ATOM 11179 OH2 TIP3 2919 6.333 4.751 5.798 1.00 0.00 WT1 O ATOM 11180 H1 TIP3 2919 -5.427 3.681 14.039 1.00 0.00 WT1 H ATOM 11181 H2 TIP3 2919 2.711 4.957 24.868 1.00 0.00 WT1 H ATOM 11182 OH2 TIP3 2920 -1.920 -5.397 -0.078 1.00 0.00 WT1 O ATOM 11183 H1 TIP3 2920 -18.708 1.082 -1.236 1.00 0.00 WT1 H ATOM 11184 H2 TIP3 2920 0.449 -3.460 -17.178 1.00 0.00 WT1 H ATOM 11185 OH2 TIP3 2921 5.958 -4.622 -2.475 1.00 0.00 WT1 O ATOM 11186 H1 TIP3 2921 -22.193 -1.970 1.648 1.00 0.00 WT1 H ATOM 11187 H2 TIP3 2921 0.127 9.529 -25.180 1.00 0.00 WT1 H ATOM 11188 OH2 TIP3 2922 1.847 -1.370 -8.522 1.00 0.00 WT1 O ATOM 11189 H1 TIP3 2922 -15.628 6.495 -14.523 1.00 0.00 WT1 H ATOM 11190 H2 TIP3 2922 -13.123 7.599 1.634 1.00 0.00 WT1 H ATOM 11191 OH2 TIP3 2923 0.260 -1.168 3.938 1.00 0.00 WT1 O ATOM 11192 H1 TIP3 2923 4.671 -13.144 13.332 1.00 0.00 WT1 H ATOM 11193 H2 TIP3 2923 33.108 11.016 2.189 1.00 0.00 WT1 H ATOM 11194 OH2 TIP3 2925 -4.371 -0.653 -0.269 1.00 0.00 WT1 O ATOM 11195 H1 TIP3 2925 11.289 14.424 -1.786 1.00 0.00 WT1 H ATOM 11196 H2 TIP3 2925 -9.889 -5.467 -1.396 1.00 0.00 WT1 H ATOM 11197 OH2 TIP3 2926 -4.062 1.989 1.352 1.00 0.00 WT1 O ATOM 11198 H1 TIP3 2926 -8.280 -0.921 3.486 1.00 0.00 WT1 H ATOM 11199 H2 TIP3 2926 -9.860 -5.893 15.476 1.00 0.00 WT1 H ATOM 11200 OH2 TIP3 2927 4.364 0.737 3.824 1.00 0.00 WT1 O ATOM 11201 H1 TIP3 2927 -5.665 -11.574 4.832 1.00 0.00 WT1 H ATOM 11202 H2 TIP3 2927 7.384 -11.278 -4.465 1.00 0.00 WT1 H ATOM 11203 OH2 TIP3 2928 -5.562 -0.426 5.823 1.00 0.00 WT1 O ATOM 11204 H1 TIP3 2928 -9.060 -3.998 8.579 1.00 0.00 WT1 H ATOM 11205 H2 TIP3 2928 -9.223 -4.834 -10.698 1.00 0.00 WT1 H ATOM 11206 OH2 TIP3 2930 -1.483 -0.418 2.109 1.00 0.00 WT1 O ATOM 11207 H1 TIP3 2930 6.771 5.141 -3.282 1.00 0.00 WT1 H ATOM 11208 H2 TIP3 2930 -1.108 14.264 3.719 1.00 0.00 WT1 H ATOM 11209 OH2 TIP3 2931 2.506 -4.530 -1.869 1.00 0.00 WT1 O ATOM 11210 H1 TIP3 2931 -9.189 -1.679 9.961 1.00 0.00 WT1 H ATOM 11211 H2 TIP3 2931 -5.980 4.375 27.760 1.00 0.00 WT1 H ATOM 11212 OH2 TIP3 2932 -2.924 4.432 3.430 1.00 0.00 WT1 O ATOM 11213 H1 TIP3 2932 -7.840 3.214 7.034 1.00 0.00 WT1 H ATOM 11214 H2 TIP3 2932 -0.869 13.911 -3.169 1.00 0.00 WT1 H ATOM 11215 OH2 TIP3 2936 -1.235 2.977 -1.420 1.00 0.00 WT1 O ATOM 11216 H1 TIP3 2936 -15.164 8.831 -9.235 1.00 0.00 WT1 H ATOM 11217 H2 TIP3 2936 -5.892 -10.609 7.911 1.00 0.00 WT1 H ATOM 11218 OH2 TIP3 2937 -3.829 7.008 2.346 1.00 0.00 WT1 O ATOM 11219 H1 TIP3 2937 4.384 -20.575 -16.561 1.00 0.00 WT1 H ATOM 11220 H2 TIP3 2937 6.248 -0.405 0.378 1.00 0.00 WT1 H ATOM 11221 OH2 TIP3 2938 -3.360 2.861 0.458 1.00 0.00 WT1 O ATOM 11222 H1 TIP3 2938 -3.412 9.255 -4.798 1.00 0.00 WT1 H ATOM 11223 H2 TIP3 2938 -3.903 -2.473 4.364 1.00 0.00 WT1 H ATOM 11224 OH2 TIP3 2939 3.037 2.500 4.084 1.00 0.00 WT1 O ATOM 11225 H1 TIP3 2939 9.984 8.131 -12.221 1.00 0.00 WT1 H ATOM 11226 H2 TIP3 2939 4.634 2.033 -3.281 1.00 0.00 WT1 H ATOM 11227 OH2 TIP3 2941 -2.794 3.427 -1.101 1.00 0.00 WT1 O ATOM 11228 H1 TIP3 2941 5.342 10.003 -2.927 1.00 0.00 WT1 H ATOM 11229 H2 TIP3 2941 13.475 15.848 27.433 1.00 0.00 WT1 H ATOM 11230 OH2 TIP3 2943 0.808 0.988 -1.041 1.00 0.00 WT1 O ATOM 11231 H1 TIP3 2943 12.964 -7.834 -15.307 1.00 0.00 WT1 H ATOM 11232 H2 TIP3 2943 2.759 11.733 4.658 1.00 0.00 WT1 H ATOM 11233 OH2 TIP3 2944 1.646 3.641 1.914 1.00 0.00 WT1 O ATOM 11234 H1 TIP3 2944 8.010 -4.395 -3.126 1.00 0.00 WT1 H ATOM 11235 H2 TIP3 2944 -0.932 11.470 -6.384 1.00 0.00 WT1 H ATOM 11236 OH2 TIP3 2945 -1.521 7.395 -1.701 1.00 0.00 WT1 O ATOM 11237 H1 TIP3 2945 -24.549 16.302 20.291 1.00 0.00 WT1 H ATOM 11238 H2 TIP3 2945 -0.066 -17.780 9.747 1.00 0.00 WT1 H ATOM 11239 OH2 TIP3 2946 0.027 -3.835 2.418 1.00 0.00 WT1 O ATOM 11240 H1 TIP3 2946 3.578 -16.685 3.715 1.00 0.00 WT1 H ATOM 11241 H2 TIP3 2946 6.352 0.357 11.209 1.00 0.00 WT1 H ATOM 11242 OH2 TIP3 2947 0.663 3.814 -5.257 1.00 0.00 WT1 O ATOM 11243 H1 TIP3 2947 -13.972 7.675 -8.048 1.00 0.00 WT1 H ATOM 11244 H2 TIP3 2947 0.751 -10.841 20.077 1.00 0.00 WT1 H ATOM 11245 OH2 TIP3 2950 0.444 -4.100 2.426 1.00 0.00 WT1 O ATOM 11246 H1 TIP3 2950 -7.265 6.243 15.104 1.00 0.00 WT1 H ATOM 11247 H2 TIP3 2950 6.732 -10.005 -11.609 1.00 0.00 WT1 H ATOM 11248 OH2 TIP3 2951 -3.181 5.746 0.642 1.00 0.00 WT1 O ATOM 11249 H1 TIP3 2951 -13.646 10.220 -7.220 1.00 0.00 WT1 H ATOM 11250 H2 TIP3 2951 -2.873 4.807 -1.507 1.00 0.00 WT1 H ATOM 11251 OH2 TIP3 2952 2.137 -0.188 1.006 1.00 0.00 WT1 O ATOM 11252 H1 TIP3 2952 -8.642 -0.235 5.021 1.00 0.00 WT1 H ATOM 11253 H2 TIP3 2952 4.347 9.835 -12.222 1.00 0.00 WT1 H ATOM 11254 OH2 TIP3 2956 -8.067 4.095 -2.315 1.00 0.00 WT1 O ATOM 11255 H1 TIP3 2956 -23.020 11.069 -7.692 1.00 0.00 WT1 H ATOM 11256 H2 TIP3 2956 -18.970 -9.062 -4.550 1.00 0.00 WT1 H ATOM 11257 OH2 TIP3 2957 4.373 -6.032 -5.653 1.00 0.00 WT1 O ATOM 11258 H1 TIP3 2957 10.873 -3.422 -21.569 1.00 0.00 WT1 H ATOM 11259 H2 TIP3 2957 -4.746 0.826 -3.468 1.00 0.00 WT1 H ATOM 11260 OH2 TIP3 2959 7.042 0.251 -1.923 1.00 0.00 WT1 O ATOM 11261 H1 TIP3 2959 -8.726 -24.720 -12.312 1.00 0.00 WT1 H ATOM 11262 H2 TIP3 2959 17.493 -8.356 -2.190 1.00 0.00 WT1 H ATOM 11263 OH2 TIP3 2960 3.958 4.378 -1.381 1.00 0.00 WT1 O ATOM 11264 H1 TIP3 2960 17.426 -1.716 10.786 1.00 0.00 WT1 H ATOM 11265 H2 TIP3 2960 12.930 15.003 -13.031 1.00 0.00 WT1 H ATOM 11266 OH2 TIP3 2961 1.301 4.703 -1.733 1.00 0.00 WT1 O ATOM 11267 H1 TIP3 2961 14.224 6.302 -15.785 1.00 0.00 WT1 H ATOM 11268 H2 TIP3 2961 19.175 5.672 -16.126 1.00 0.00 WT1 H ATOM 11269 OH2 TIP3 2962 0.048 2.796 0.734 1.00 0.00 WT1 O ATOM 11270 H1 TIP3 2962 -3.342 14.726 2.219 1.00 0.00 WT1 H ATOM 11271 H2 TIP3 2962 -15.198 2.486 1.041 1.00 0.00 WT1 H ATOM 11272 OH2 TIP3 2963 -4.722 -7.932 4.413 1.00 0.00 WT1 O ATOM 11273 H1 TIP3 2963 -5.281 -19.657 -3.087 1.00 0.00 WT1 H ATOM 11274 H2 TIP3 2963 -4.131 3.655 -4.934 1.00 0.00 WT1 H ATOM 11275 OH2 TIP3 2964 -2.956 4.224 1.284 1.00 0.00 WT1 O ATOM 11276 H1 TIP3 2964 -4.124 3.377 -3.069 1.00 0.00 WT1 H ATOM 11277 H2 TIP3 2964 8.147 -6.477 -3.933 1.00 0.00 WT1 H ATOM 11278 OH2 TIP3 2965 3.815 0.104 -1.630 1.00 0.00 WT1 O ATOM 11279 H1 TIP3 2965 3.994 -0.486 -3.365 1.00 0.00 WT1 H ATOM 11280 H2 TIP3 2965 4.376 -0.558 0.159 1.00 0.00 WT1 H ATOM 11281 OH2 TIP3 2966 4.452 5.218 -1.632 1.00 0.00 WT1 O ATOM 11282 H1 TIP3 2966 -1.800 3.100 -7.234 1.00 0.00 WT1 H ATOM 11283 H2 TIP3 2966 -23.418 -0.101 -23.302 1.00 0.00 WT1 H ATOM 11284 OH2 TIP3 2967 -3.462 4.108 -5.283 1.00 0.00 WT1 O ATOM 11285 H1 TIP3 2967 3.720 10.493 -5.822 1.00 0.00 WT1 H ATOM 11286 H2 TIP3 2967 -4.095 2.500 1.042 1.00 0.00 WT1 H ATOM 11287 OH2 TIP3 2968 -1.124 -0.280 -3.073 1.00 0.00 WT1 O ATOM 11288 H1 TIP3 2968 15.632 -10.655 24.158 1.00 0.00 WT1 H ATOM 11289 H2 TIP3 2968 5.796 12.495 -30.601 1.00 0.00 WT1 H ATOM 11290 OH2 TIP3 2969 0.072 -8.725 5.250 1.00 0.00 WT1 O ATOM 11291 H1 TIP3 2969 -2.355 6.604 6.065 1.00 0.00 WT1 H ATOM 11292 H2 TIP3 2969 -2.213 -8.994 3.637 1.00 0.00 WT1 H ATOM 11293 OH2 TIP3 2971 0.924 4.371 1.989 1.00 0.00 WT1 O ATOM 11294 H1 TIP3 2971 -0.451 3.130 6.034 1.00 0.00 WT1 H ATOM 11295 H2 TIP3 2971 12.675 5.825 -0.289 1.00 0.00 WT1 H ATOM 11296 OH2 TIP3 2972 1.206 -2.799 -0.647 1.00 0.00 WT1 O ATOM 11297 H1 TIP3 2972 -4.157 -3.833 6.058 1.00 0.00 WT1 H ATOM 11298 H2 TIP3 2972 -4.895 -14.764 16.336 1.00 0.00 WT1 H ATOM 11299 OH2 TIP3 2978 -0.185 -2.212 -1.047 1.00 0.00 WT1 O ATOM 11300 H1 TIP3 2978 -1.830 -13.775 -0.800 1.00 0.00 WT1 H ATOM 11301 H2 TIP3 2978 -0.708 -11.071 19.622 1.00 0.00 WT1 H ATOM 11302 OH2 TIP3 2979 3.171 -7.906 1.697 1.00 0.00 WT1 O ATOM 11303 H1 TIP3 2979 17.659 -6.239 -0.279 1.00 0.00 WT1 H ATOM 11304 H2 TIP3 2979 -13.288 4.020 -28.209 1.00 0.00 WT1 H ATOM 11305 OH2 TIP3 2981 0.388 0.244 5.744 1.00 0.00 WT1 O ATOM 11306 H1 TIP3 2981 -0.307 23.863 5.000 1.00 0.00 WT1 H ATOM 11307 H2 TIP3 2981 20.861 -12.329 1.495 1.00 0.00 WT1 H ATOM 11308 OH2 TIP3 2982 -1.247 -0.195 -3.271 1.00 0.00 WT1 O ATOM 11309 H1 TIP3 2982 -12.472 20.293 0.160 1.00 0.00 WT1 H ATOM 11310 H2 TIP3 2982 -6.965 16.562 0.254 1.00 0.00 WT1 H ATOM 11311 OH2 TIP3 2983 -4.877 5.600 -4.663 1.00 0.00 WT1 O ATOM 11312 H1 TIP3 2983 3.872 1.897 5.830 1.00 0.00 WT1 H ATOM 11313 H2 TIP3 2983 5.426 1.710 4.723 1.00 0.00 WT1 H ATOM 11314 OH2 TIP3 2984 5.917 1.256 3.113 1.00 0.00 WT1 O ATOM 11315 H1 TIP3 2984 -11.468 -5.615 -6.507 1.00 0.00 WT1 H ATOM 11316 H2 TIP3 2984 -5.629 7.546 3.067 1.00 0.00 WT1 H ATOM 11317 OH2 TIP3 2985 -2.658 -1.874 -3.990 1.00 0.00 WT1 O ATOM 11318 H1 TIP3 2985 -13.658 -2.128 -15.332 1.00 0.00 WT1 H ATOM 11319 H2 TIP3 2985 -2.253 -1.075 4.858 1.00 0.00 WT1 H ATOM 11320 OH2 TIP3 2986 2.732 -3.428 -1.899 1.00 0.00 WT1 O ATOM 11321 H1 TIP3 2986 6.987 -3.629 -15.470 1.00 0.00 WT1 H ATOM 11322 H2 TIP3 2986 12.475 -6.938 6.161 1.00 0.00 WT1 H ATOM 11323 OH2 TIP3 2987 0.975 5.456 7.159 1.00 0.00 WT1 O ATOM 11324 H1 TIP3 2987 10.507 -5.961 6.135 1.00 0.00 WT1 H ATOM 11325 H2 TIP3 2987 -0.026 7.220 6.057 1.00 0.00 WT1 H ATOM 11326 OH2 TIP3 2988 0.268 2.043 -9.166 1.00 0.00 WT1 O ATOM 11327 H1 TIP3 2988 3.169 3.895 -8.251 1.00 0.00 WT1 H ATOM 11328 H2 TIP3 2988 9.867 -11.295 -4.840 1.00 0.00 WT1 H ATOM 11329 OH2 TIP3 2989 3.246 -0.192 -2.629 1.00 0.00 WT1 O ATOM 11330 H1 TIP3 2989 19.039 -4.612 28.437 1.00 0.00 WT1 H ATOM 11331 H2 TIP3 2989 32.286 4.892 7.684 1.00 0.00 WT1 H ATOM 11332 OH2 TIP3 2990 0.308 -1.910 3.471 1.00 0.00 WT1 O ATOM 11333 H1 TIP3 2990 -14.339 -3.088 -6.334 1.00 0.00 WT1 H ATOM 11334 H2 TIP3 2990 -2.957 -3.481 18.412 1.00 0.00 WT1 H ATOM 11335 OH2 TIP3 2991 -3.010 0.461 -9.174 1.00 0.00 WT1 O ATOM 11336 H1 TIP3 2991 -37.390 -27.455 15.662 1.00 0.00 WT1 H ATOM 11337 H2 TIP3 2991 1.569 -5.257 -3.574 1.00 0.00 WT1 H ATOM 11338 OH2 TIP3 2992 2.978 0.311 -4.479 1.00 0.00 WT1 O ATOM 11339 H1 TIP3 2992 -0.358 7.410 4.016 1.00 0.00 WT1 H ATOM 11340 H2 TIP3 2992 22.193 14.931 -1.248 1.00 0.00 WT1 H ATOM 11341 OH2 TIP3 2993 -1.722 1.466 0.716 1.00 0.00 WT1 O ATOM 11342 H1 TIP3 2993 -21.926 -6.909 17.403 1.00 0.00 WT1 H ATOM 11343 H2 TIP3 2993 15.547 -11.670 -4.990 1.00 0.00 WT1 H ATOM 11344 OH2 TIP3 2998 5.917 -2.457 3.560 1.00 0.00 WT1 O ATOM 11345 H1 TIP3 2998 -4.984 -6.073 11.818 1.00 0.00 WT1 H ATOM 11346 H2 TIP3 2998 15.058 -13.541 3.681 1.00 0.00 WT1 H ATOM 11347 OH2 TIP3 3000 -5.268 1.304 -9.309 1.00 0.00 WT1 O ATOM 11348 H1 TIP3 3000 31.203 2.391 17.059 1.00 0.00 WT1 H ATOM 11349 H2 TIP3 3000 -7.735 25.405 13.465 1.00 0.00 WT1 H ATOM 11350 OH2 TIP3 3001 0.612 4.137 -2.409 1.00 0.00 WT1 O ATOM 11351 H1 TIP3 3001 -0.569 13.477 -4.479 1.00 0.00 WT1 H ATOM 11352 H2 TIP3 3001 -2.925 3.055 5.903 1.00 0.00 WT1 H ATOM 11353 OH2 TIP3 3002 -7.629 -0.032 -0.780 1.00 0.00 WT1 O ATOM 11354 H1 TIP3 3002 -2.207 6.469 10.654 1.00 0.00 WT1 H ATOM 11355 H2 TIP3 3002 -1.656 -0.206 5.996 1.00 0.00 WT1 H ATOM 11356 OH2 TIP3 3003 -1.512 -5.316 0.349 1.00 0.00 WT1 O ATOM 11357 H1 TIP3 3003 11.172 -18.027 -3.255 1.00 0.00 WT1 H ATOM 11358 H2 TIP3 3003 -11.653 5.010 -4.911 1.00 0.00 WT1 H ATOM 11359 OH2 TIP3 3004 -1.712 2.535 0.980 1.00 0.00 WT1 O ATOM 11360 H1 TIP3 3004 -0.065 -20.976 -18.095 1.00 0.00 WT1 H ATOM 11361 H2 TIP3 3004 -3.878 20.563 14.226 1.00 0.00 WT1 H ATOM 11362 OH2 TIP3 3005 4.155 -8.214 -2.110 1.00 0.00 WT1 O ATOM 11363 H1 TIP3 3005 6.113 -2.498 -2.825 1.00 0.00 WT1 H ATOM 11364 H2 TIP3 3005 -10.956 -4.659 1.853 1.00 0.00 WT1 H ATOM 11365 OH2 TIP3 3006 2.250 -1.605 -2.299 1.00 0.00 WT1 O ATOM 11366 H1 TIP3 3006 -0.079 3.719 13.546 1.00 0.00 WT1 H ATOM 11367 H2 TIP3 3006 6.785 -1.044 -7.972 1.00 0.00 WT1 H ATOM 11368 OH2 TIP3 3007 0.202 6.020 -0.661 1.00 0.00 WT1 O ATOM 11369 H1 TIP3 3007 4.802 4.381 -6.705 1.00 0.00 WT1 H ATOM 11370 H2 TIP3 3007 -3.263 11.481 -3.635 1.00 0.00 WT1 H ATOM 11371 OH2 TIP3 3008 0.001 -3.498 4.046 1.00 0.00 WT1 O ATOM 11372 H1 TIP3 3008 9.820 -28.122 -9.559 1.00 0.00 WT1 H ATOM 11373 H2 TIP3 3008 10.679 -31.819 -11.788 1.00 0.00 WT1 H ATOM 11374 OH2 TIP3 3009 3.782 2.153 -2.091 1.00 0.00 WT1 O ATOM 11375 H1 TIP3 3009 19.368 10.326 -2.015 1.00 0.00 WT1 H ATOM 11376 H2 TIP3 3009 9.592 9.876 -9.036 1.00 0.00 WT1 H ATOM 11377 OH2 TIP3 3010 5.091 -1.794 -0.711 1.00 0.00 WT1 O ATOM 11378 H1 TIP3 3010 26.394 -0.280 12.698 1.00 0.00 WT1 H ATOM 11379 H2 TIP3 3010 -15.090 -3.659 4.939 1.00 0.00 WT1 H ATOM 11380 OH2 TIP3 3011 -1.085 4.936 -1.015 1.00 0.00 WT1 O ATOM 11381 H1 TIP3 3011 -27.367 -6.860 3.911 1.00 0.00 WT1 H ATOM 11382 H2 TIP3 3011 -6.018 5.642 -6.539 1.00 0.00 WT1 H ATOM 11383 OH2 TIP3 3012 -3.839 -1.959 6.098 1.00 0.00 WT1 O ATOM 11384 H1 TIP3 3012 6.433 7.120 5.731 1.00 0.00 WT1 H ATOM 11385 H2 TIP3 3012 6.799 -7.045 4.963 1.00 0.00 WT1 H ATOM 11386 OH2 TIP3 3013 4.588 5.940 7.284 1.00 0.00 WT1 O ATOM 11387 H1 TIP3 3013 4.946 -1.484 -5.552 1.00 0.00 WT1 H ATOM 11388 H2 TIP3 3013 3.877 -6.144 -0.780 1.00 0.00 WT1 H ATOM 11389 OH2 TIP3 3014 6.343 1.473 2.711 1.00 0.00 WT1 O ATOM 11390 H1 TIP3 3014 4.915 2.105 14.356 1.00 0.00 WT1 H ATOM 11391 H2 TIP3 3014 22.359 -14.697 -19.829 1.00 0.00 WT1 H ATOM 11392 OH2 TIP3 3015 -4.034 -0.189 -1.785 1.00 0.00 WT1 O ATOM 11393 H1 TIP3 3015 -6.600 0.539 2.156 1.00 0.00 WT1 H ATOM 11394 H2 TIP3 3015 -3.553 3.534 -5.428 1.00 0.00 WT1 H ATOM 11395 OH2 TIP3 3016 -8.780 4.241 4.448 1.00 0.00 WT1 O ATOM 11396 H1 TIP3 3016 -6.375 -3.959 11.691 1.00 0.00 WT1 H ATOM 11397 H2 TIP3 3016 -6.297 0.137 -4.983 1.00 0.00 WT1 H ATOM 11398 OH2 TIP3 3018 1.884 -5.641 -2.359 1.00 0.00 WT1 O ATOM 11399 H1 TIP3 3018 -8.606 14.055 -5.468 1.00 0.00 WT1 H ATOM 11400 H2 TIP3 3018 -1.460 3.201 -0.723 1.00 0.00 WT1 H ATOM 11401 OH2 TIP3 3019 -8.747 3.148 1.906 1.00 0.00 WT1 O ATOM 11402 H1 TIP3 3019 -18.131 -1.533 -1.878 1.00 0.00 WT1 H ATOM 11403 H2 TIP3 3019 8.420 17.865 -1.730 1.00 0.00 WT1 H ATOM 11404 OH2 TIP3 3021 5.659 2.280 -1.873 1.00 0.00 WT1 O ATOM 11405 H1 TIP3 3021 -0.542 13.250 -0.071 1.00 0.00 WT1 H ATOM 11406 H2 TIP3 3021 6.279 -33.802 -17.943 1.00 0.00 WT1 H ATOM 11407 OH2 TIP3 3023 0.920 -0.698 -0.698 1.00 0.00 WT1 O ATOM 11408 H1 TIP3 3023 2.154 -5.066 -24.532 1.00 0.00 WT1 H ATOM 11409 H2 TIP3 3023 1.115 0.716 -7.869 1.00 0.00 WT1 H ATOM 11410 OH2 TIP3 3024 -1.302 4.152 0.125 1.00 0.00 WT1 O ATOM 11411 H1 TIP3 3024 4.976 -12.426 -7.971 1.00 0.00 WT1 H ATOM 11412 H2 TIP3 3024 -13.239 -12.359 1.916 1.00 0.00 WT1 H ATOM 11413 OH2 TIP3 3025 -0.079 -3.483 -7.671 1.00 0.00 WT1 O ATOM 11414 H1 TIP3 3025 2.828 -3.386 5.957 1.00 0.00 WT1 H ATOM 11415 H2 TIP3 3025 -2.072 4.088 -3.257 1.00 0.00 WT1 H ATOM 11416 OH2 TIP3 3027 -3.815 -2.033 -1.775 1.00 0.00 WT1 O ATOM 11417 H1 TIP3 3027 -10.158 -6.335 15.925 1.00 0.00 WT1 H ATOM 11418 H2 TIP3 3027 14.626 -5.689 -11.405 1.00 0.00 WT1 H ATOM 11419 OH2 TIP3 3028 -0.513 2.822 -1.774 1.00 0.00 WT1 O ATOM 11420 H1 TIP3 3028 -23.929 -18.204 -3.929 1.00 0.00 WT1 H ATOM 11421 H2 TIP3 3028 -6.326 5.835 40.110 1.00 0.00 WT1 H ATOM 11422 OH2 TIP3 3029 -2.399 -2.077 5.887 1.00 0.00 WT1 O ATOM 11423 H1 TIP3 3029 -12.970 -32.507 -22.366 1.00 0.00 WT1 H ATOM 11424 H2 TIP3 3029 -2.477 5.746 15.545 1.00 0.00 WT1 H ATOM 11425 OH2 TIP3 3030 1.975 -2.961 -3.994 1.00 0.00 WT1 O ATOM 11426 H1 TIP3 3030 24.208 27.411 0.519 1.00 0.00 WT1 H ATOM 11427 H2 TIP3 3030 9.449 -19.789 -9.438 1.00 0.00 WT1 H ATOM 11428 OH2 TIP3 3032 -3.655 1.658 3.733 1.00 0.00 WT1 O ATOM 11429 H1 TIP3 3032 -0.746 -7.929 6.589 1.00 0.00 WT1 H ATOM 11430 H2 TIP3 3032 -13.160 0.296 -0.930 1.00 0.00 WT1 H ATOM 11431 OH2 TIP3 3033 7.329 1.237 3.168 1.00 0.00 WT1 O ATOM 11432 H1 TIP3 3033 8.211 11.774 -0.164 1.00 0.00 WT1 H ATOM 11433 H2 TIP3 3033 10.437 -29.085 16.558 1.00 0.00 WT1 H ATOM 11434 OH2 TIP3 3035 -3.022 5.214 -7.583 1.00 0.00 WT1 O ATOM 11435 H1 TIP3 3035 -1.157 4.566 -15.051 1.00 0.00 WT1 H ATOM 11436 H2 TIP3 3035 -6.400 7.803 1.442 1.00 0.00 WT1 H ATOM 11437 OH2 TIP3 3037 0.339 2.561 -2.368 1.00 0.00 WT1 O ATOM 11438 H1 TIP3 3037 -26.205 11.596 -15.616 1.00 0.00 WT1 H ATOM 11439 H2 TIP3 3037 5.328 0.971 2.122 1.00 0.00 WT1 H ATOM 11440 OH2 TIP3 3038 8.230 1.052 6.571 1.00 0.00 WT1 O ATOM 11441 H1 TIP3 3038 -20.815 5.464 -12.969 1.00 0.00 WT1 H ATOM 11442 H2 TIP3 3038 22.960 -8.137 -7.238 1.00 0.00 WT1 H ATOM 11443 OH2 TIP3 3039 5.441 1.244 -4.088 1.00 0.00 WT1 O ATOM 11444 H1 TIP3 3039 5.101 10.288 11.419 1.00 0.00 WT1 H ATOM 11445 H2 TIP3 3039 8.880 -16.077 1.365 1.00 0.00 WT1 H ATOM 11446 OH2 TIP3 3040 -5.249 0.707 -4.136 1.00 0.00 WT1 O ATOM 11447 H1 TIP3 3040 -36.206 5.864 19.657 1.00 0.00 WT1 H ATOM 11448 H2 TIP3 3040 36.253 7.862 2.078 1.00 0.00 WT1 H ATOM 11449 OH2 TIP3 3041 6.014 -4.482 -1.986 1.00 0.00 WT1 O ATOM 11450 H1 TIP3 3041 10.466 -20.517 -9.896 1.00 0.00 WT1 H ATOM 11451 H2 TIP3 3041 5.686 10.129 3.154 1.00 0.00 WT1 H ATOM 11452 OH2 TIP3 3042 -0.083 -3.656 -2.036 1.00 0.00 WT1 O ATOM 11453 H1 TIP3 3042 -1.487 -15.318 3.081 1.00 0.00 WT1 H ATOM 11454 H2 TIP3 3042 0.779 -10.097 1.094 1.00 0.00 WT1 H ATOM 11455 OH2 TIP3 3043 -2.390 -0.321 -2.192 1.00 0.00 WT1 O ATOM 11456 H1 TIP3 3043 -2.270 -1.412 -9.557 1.00 0.00 WT1 H ATOM 11457 H2 TIP3 3043 -2.464 -6.894 32.839 1.00 0.00 WT1 H ATOM 11458 OH2 TIP3 3044 0.727 2.939 -3.427 1.00 0.00 WT1 O ATOM 11459 H1 TIP3 3044 10.705 8.370 -14.576 1.00 0.00 WT1 H ATOM 11460 H2 TIP3 3044 15.401 -3.555 -13.469 1.00 0.00 WT1 H ATOM 11461 OH2 TIP3 3045 -1.836 3.550 0.677 1.00 0.00 WT1 O ATOM 11462 H1 TIP3 3045 -6.892 0.144 13.574 1.00 0.00 WT1 H ATOM 11463 H2 TIP3 3045 -14.740 -0.695 8.897 1.00 0.00 WT1 H ATOM 11464 OH2 TIP3 3046 -0.928 0.301 5.085 1.00 0.00 WT1 O ATOM 11465 H1 TIP3 3046 20.431 7.106 -18.743 1.00 0.00 WT1 H ATOM 11466 H2 TIP3 3046 -25.216 3.085 2.838 1.00 0.00 WT1 H ATOM 11467 OH2 TIP3 3047 -7.663 -1.135 2.802 1.00 0.00 WT1 O ATOM 11468 H1 TIP3 3047 0.100 -12.634 -13.974 1.00 0.00 WT1 H ATOM 11469 H2 TIP3 3047 14.608 18.201 22.071 1.00 0.00 WT1 H ATOM 11470 OH2 TIP3 3048 5.350 1.448 5.391 1.00 0.00 WT1 O ATOM 11471 H1 TIP3 3048 11.415 4.221 2.975 1.00 0.00 WT1 H ATOM 11472 H2 TIP3 3048 6.297 -4.796 3.597 1.00 0.00 WT1 H ATOM 11473 OH2 TIP3 3049 1.294 -2.022 4.841 1.00 0.00 WT1 O ATOM 11474 H1 TIP3 3049 -10.206 -7.470 -3.407 1.00 0.00 WT1 H ATOM 11475 H2 TIP3 3049 -0.470 5.045 16.913 1.00 0.00 WT1 H ATOM 11476 OH2 TIP3 3050 -4.493 -7.316 0.299 1.00 0.00 WT1 O ATOM 11477 H1 TIP3 3050 -35.852 17.940 6.597 1.00 0.00 WT1 H ATOM 11478 H2 TIP3 3050 -7.005 0.580 -2.036 1.00 0.00 WT1 H ATOM 11479 OH2 TIP3 3051 2.742 0.928 -4.504 1.00 0.00 WT1 O ATOM 11480 H1 TIP3 3051 -29.020 5.230 -1.415 1.00 0.00 WT1 H ATOM 11481 H2 TIP3 3051 8.784 5.166 5.642 1.00 0.00 WT1 H ATOM 11482 OH2 TIP3 3052 4.092 4.518 5.963 1.00 0.00 WT1 O ATOM 11483 H1 TIP3 3052 11.669 11.933 4.046 1.00 0.00 WT1 H ATOM 11484 H2 TIP3 3052 29.574 5.086 -1.317 1.00 0.00 WT1 H ATOM 11485 OH2 TIP3 3053 -0.011 -3.981 -2.658 1.00 0.00 WT1 O ATOM 11486 H1 TIP3 3053 -14.538 -10.744 -5.627 1.00 0.00 WT1 H ATOM 11487 H2 TIP3 3053 8.681 7.019 -21.628 1.00 0.00 WT1 H ATOM 11488 OH2 TIP3 3054 -3.872 -2.245 -2.050 1.00 0.00 WT1 O ATOM 11489 H1 TIP3 3054 -6.148 -8.575 0.997 1.00 0.00 WT1 H ATOM 11490 H2 TIP3 3054 -2.590 12.162 -11.219 1.00 0.00 WT1 H ATOM 11491 OH2 TIP3 3056 -2.100 0.186 0.203 1.00 0.00 WT1 O ATOM 11492 H1 TIP3 3056 -7.134 5.034 -8.365 1.00 0.00 WT1 H ATOM 11493 H2 TIP3 3056 -8.119 -2.421 8.013 1.00 0.00 WT1 H ATOM 11494 OH2 TIP3 3057 -4.962 -9.131 -3.047 1.00 0.00 WT1 O ATOM 11495 H1 TIP3 3057 -12.154 -0.590 -28.003 1.00 0.00 WT1 H ATOM 11496 H2 TIP3 3057 17.718 21.217 10.831 1.00 0.00 WT1 H ATOM 11497 OH2 TIP3 3059 1.054 -2.755 -1.026 1.00 0.00 WT1 O ATOM 11498 H1 TIP3 3059 1.951 -4.854 -8.453 1.00 0.00 WT1 H ATOM 11499 H2 TIP3 3059 -4.887 4.263 6.309 1.00 0.00 WT1 H ATOM 11500 OH2 TIP3 3062 -2.055 -4.515 -6.873 1.00 0.00 WT1 O ATOM 11501 H1 TIP3 3062 -8.335 -16.214 3.214 1.00 0.00 WT1 H ATOM 11502 H2 TIP3 3062 21.676 21.669 -8.873 1.00 0.00 WT1 H ATOM 11503 OH2 TIP3 3063 3.833 0.893 1.217 1.00 0.00 WT1 O ATOM 11504 H1 TIP3 3063 9.870 -1.424 -11.020 1.00 0.00 WT1 H ATOM 11505 H2 TIP3 3063 -10.683 8.795 4.372 1.00 0.00 WT1 H ATOM 11506 OH2 TIP3 3065 -2.280 -0.308 6.882 1.00 0.00 WT1 O ATOM 11507 H1 TIP3 3065 17.822 -5.523 34.304 1.00 0.00 WT1 H ATOM 11508 H2 TIP3 3065 -4.930 -1.829 4.397 1.00 0.00 WT1 H ATOM 11509 OH2 TIP3 3066 -4.411 0.767 0.441 1.00 0.00 WT1 O ATOM 11510 H1 TIP3 3066 -13.898 -3.867 -2.564 1.00 0.00 WT1 H ATOM 11511 H2 TIP3 3066 6.096 17.806 13.037 1.00 0.00 WT1 H ATOM 11512 OH2 TIP3 3067 -5.144 2.814 1.954 1.00 0.00 WT1 O ATOM 11513 H1 TIP3 3067 -4.246 -11.206 4.070 1.00 0.00 WT1 H ATOM 11514 H2 TIP3 3067 -2.871 -19.683 -5.849 1.00 0.00 WT1 H ATOM 11515 OH2 TIP3 3069 -0.628 1.181 -6.978 1.00 0.00 WT1 O ATOM 11516 H1 TIP3 3069 2.478 -14.028 -2.588 1.00 0.00 WT1 H ATOM 11517 H2 TIP3 3069 19.845 1.142 4.238 1.00 0.00 WT1 H ATOM 11518 OH2 TIP3 3070 -0.144 -3.414 1.954 1.00 0.00 WT1 O ATOM 11519 H1 TIP3 3070 12.892 -12.148 17.251 1.00 0.00 WT1 H ATOM 11520 H2 TIP3 3070 3.648 -7.368 7.449 1.00 0.00 WT1 H ATOM 11521 OH2 TIP3 3071 -2.692 5.555 2.935 1.00 0.00 WT1 O ATOM 11522 H1 TIP3 3071 2.061 5.148 16.082 1.00 0.00 WT1 H ATOM 11523 H2 TIP3 3071 -18.426 5.763 -14.066 1.00 0.00 WT1 H ATOM 11524 OH2 TIP3 3072 2.572 0.643 1.652 1.00 0.00 WT1 O ATOM 11525 H1 TIP3 3072 -5.480 -4.932 -11.512 1.00 0.00 WT1 H ATOM 11526 H2 TIP3 3072 20.243 -1.437 0.059 1.00 0.00 WT1 H ATOM 11527 OH2 TIP3 3073 -1.827 -6.984 -3.965 1.00 0.00 WT1 O ATOM 11528 H1 TIP3 3073 -0.507 11.646 1.401 1.00 0.00 WT1 H ATOM 11529 H2 TIP3 3073 1.069 -11.382 -8.085 1.00 0.00 WT1 H ATOM 11530 OH2 TIP3 3074 -0.873 -6.620 3.745 1.00 0.00 WT1 O ATOM 11531 H1 TIP3 3074 0.254 -6.266 -3.494 1.00 0.00 WT1 H ATOM 11532 H2 TIP3 3074 4.333 -4.828 -8.205 1.00 0.00 WT1 H ATOM 11533 OH2 TIP3 3075 1.397 -4.127 1.351 1.00 0.00 WT1 O ATOM 11534 H1 TIP3 3075 15.535 -0.059 -8.013 1.00 0.00 WT1 H ATOM 11535 H2 TIP3 3075 -24.062 8.583 -3.936 1.00 0.00 WT1 H ATOM 11536 OH2 TIP3 3077 -0.222 3.534 1.753 1.00 0.00 WT1 O ATOM 11537 H1 TIP3 3077 9.444 0.308 11.686 1.00 0.00 WT1 H ATOM 11538 H2 TIP3 3077 -4.131 3.346 2.552 1.00 0.00 WT1 H ATOM 11539 OH2 TIP3 3079 -0.639 0.576 5.092 1.00 0.00 WT1 O ATOM 11540 H1 TIP3 3079 -12.016 -9.868 7.367 1.00 0.00 WT1 H ATOM 11541 H2 TIP3 3079 -2.489 10.860 18.501 1.00 0.00 WT1 H ATOM 11542 OH2 TIP3 3080 1.838 1.074 -2.560 1.00 0.00 WT1 O ATOM 11543 H1 TIP3 3080 -0.154 9.774 -8.217 1.00 0.00 WT1 H ATOM 11544 H2 TIP3 3080 4.329 2.021 -14.298 1.00 0.00 WT1 H ATOM 11545 OH2 TIP3 3081 7.318 -0.968 -0.962 1.00 0.00 WT1 O ATOM 11546 H1 TIP3 3081 4.927 -25.378 -4.923 1.00 0.00 WT1 H ATOM 11547 H2 TIP3 3081 0.474 10.713 -1.293 1.00 0.00 WT1 H ATOM 11548 OH2 TIP3 3082 0.444 -3.312 4.330 1.00 0.00 WT1 O ATOM 11549 H1 TIP3 3082 -1.392 5.325 -17.447 1.00 0.00 WT1 H ATOM 11550 H2 TIP3 3082 14.266 0.639 2.243 1.00 0.00 WT1 H ATOM 11551 OH2 TIP3 3083 6.455 2.459 4.997 1.00 0.00 WT1 O ATOM 11552 H1 TIP3 3083 -5.078 4.035 -2.087 1.00 0.00 WT1 H ATOM 11553 H2 TIP3 3083 -23.634 9.127 -13.887 1.00 0.00 WT1 H ATOM 11554 OH2 TIP3 3084 -3.401 1.572 -1.805 1.00 0.00 WT1 O ATOM 11555 H1 TIP3 3084 19.221 13.552 4.321 1.00 0.00 WT1 H ATOM 11556 H2 TIP3 3084 11.856 -5.555 11.288 1.00 0.00 WT1 H ATOM 11557 OH2 TIP3 3085 -0.847 -1.111 1.516 1.00 0.00 WT1 O ATOM 11558 H1 TIP3 3085 -19.610 -1.782 -1.339 1.00 0.00 WT1 H ATOM 11559 H2 TIP3 3085 7.617 2.092 2.486 1.00 0.00 WT1 H ATOM 11560 OH2 TIP3 3086 -2.187 -5.623 -1.233 1.00 0.00 WT1 O ATOM 11561 H1 TIP3 3086 -9.603 -26.074 -7.845 1.00 0.00 WT1 H ATOM 11562 H2 TIP3 3086 16.395 -3.635 -7.614 1.00 0.00 WT1 H ATOM 11563 OH2 TIP3 3087 -8.703 5.899 1.012 1.00 0.00 WT1 O ATOM 11564 H1 TIP3 3087 -5.125 7.239 2.851 1.00 0.00 WT1 H ATOM 11565 H2 TIP3 3087 -30.069 5.090 6.720 1.00 0.00 WT1 H ATOM 11566 OH2 TIP3 3088 -2.433 1.848 -0.884 1.00 0.00 WT1 O ATOM 11567 H1 TIP3 3088 -9.856 -17.782 15.310 1.00 0.00 WT1 H ATOM 11568 H2 TIP3 3088 -23.291 17.651 -2.863 1.00 0.00 WT1 H ATOM 11569 OH2 TIP3 3089 3.965 -1.865 2.748 1.00 0.00 WT1 O ATOM 11570 H1 TIP3 3089 10.158 18.959 -1.543 1.00 0.00 WT1 H ATOM 11571 H2 TIP3 3089 12.815 -28.603 0.095 1.00 0.00 WT1 H ATOM 11572 OH2 TIP3 3090 -5.329 -2.473 -8.818 1.00 0.00 WT1 O ATOM 11573 H1 TIP3 3090 6.318 -4.200 -14.156 1.00 0.00 WT1 H ATOM 11574 H2 TIP3 3090 6.264 -0.109 -10.126 1.00 0.00 WT1 H ATOM 11575 OH2 TIP3 3091 1.927 0.905 -0.666 1.00 0.00 WT1 O ATOM 11576 H1 TIP3 3091 45.394 -13.560 19.405 1.00 0.00 WT1 H ATOM 11577 H2 TIP3 3091 -10.977 8.330 -4.623 1.00 0.00 WT1 H ATOM 11578 OH2 TIP3 3092 -14.227 -2.601 -6.197 1.00 0.00 WT1 O ATOM 11579 H1 TIP3 3092 -1.870 4.406 -10.092 1.00 0.00 WT1 H ATOM 11580 H2 TIP3 3092 -13.108 -4.109 5.383 1.00 0.00 WT1 H ATOM 11581 OH2 TIP3 3093 -2.209 -2.556 -1.012 1.00 0.00 WT1 O ATOM 11582 H1 TIP3 3093 -8.854 -15.196 11.530 1.00 0.00 WT1 H ATOM 11583 H2 TIP3 3093 10.614 5.492 -16.571 1.00 0.00 WT1 H ATOM 11584 OH2 TIP3 3094 -2.109 8.667 -0.176 1.00 0.00 WT1 O ATOM 11585 H1 TIP3 3094 10.137 20.736 -22.571 1.00 0.00 WT1 H ATOM 11586 H2 TIP3 3094 28.919 34.512 3.359 1.00 0.00 WT1 H ATOM 11587 OH2 TIP3 3095 0.711 5.565 -0.044 1.00 0.00 WT1 O ATOM 11588 H1 TIP3 3095 14.196 -0.066 16.520 1.00 0.00 WT1 H ATOM 11589 H2 TIP3 3095 20.230 -13.456 6.778 1.00 0.00 WT1 H ATOM 11590 OH2 TIP3 3096 -5.434 4.135 -2.500 1.00 0.00 WT1 O ATOM 11591 H1 TIP3 3096 -15.651 -6.047 5.599 1.00 0.00 WT1 H ATOM 11592 H2 TIP3 3096 11.273 -9.049 -8.506 1.00 0.00 WT1 H ATOM 11593 OH2 TIP3 3097 1.860 4.560 5.346 1.00 0.00 WT1 O ATOM 11594 H1 TIP3 3097 -1.372 3.218 1.171 1.00 0.00 WT1 H ATOM 11595 H2 TIP3 3097 0.900 -17.875 8.489 1.00 0.00 WT1 H ATOM 11596 OH2 TIP3 3098 -3.149 -7.829 1.661 1.00 0.00 WT1 O ATOM 11597 H1 TIP3 3098 -10.155 -15.070 -15.039 1.00 0.00 WT1 H ATOM 11598 H2 TIP3 3098 6.147 -2.576 -4.186 1.00 0.00 WT1 H ATOM 11599 OH2 TIP3 3100 -5.750 -4.500 3.953 1.00 0.00 WT1 O ATOM 11600 H1 TIP3 3100 3.438 -9.952 12.129 1.00 0.00 WT1 H ATOM 11601 H2 TIP3 3100 -11.997 3.772 3.720 1.00 0.00 WT1 H ATOM 11602 OH2 TIP3 3102 1.641 6.914 -3.150 1.00 0.00 WT1 O ATOM 11603 H1 TIP3 3102 24.858 -5.812 -10.728 1.00 0.00 WT1 H ATOM 11604 H2 TIP3 3102 -5.011 8.306 6.758 1.00 0.00 WT1 H ATOM 11605 OH2 TIP3 3103 0.748 -3.049 1.600 1.00 0.00 WT1 O ATOM 11606 H1 TIP3 3103 10.620 -10.964 7.048 1.00 0.00 WT1 H ATOM 11607 H2 TIP3 3103 13.317 -3.715 12.588 1.00 0.00 WT1 H ATOM 11608 OH2 TIP3 3104 -3.420 -2.554 3.616 1.00 0.00 WT1 O ATOM 11609 H1 TIP3 3104 1.796 -9.995 0.897 1.00 0.00 WT1 H ATOM 11610 H2 TIP3 3104 -4.431 -8.576 11.193 1.00 0.00 WT1 H ATOM 11611 OH2 TIP3 3105 1.660 1.223 -0.210 1.00 0.00 WT1 O ATOM 11612 H1 TIP3 3105 -0.573 1.462 3.003 1.00 0.00 WT1 H ATOM 11613 H2 TIP3 3105 -8.879 6.053 14.677 1.00 0.00 WT1 H ATOM 11614 OH2 TIP3 3106 0.474 -0.416 -4.008 1.00 0.00 WT1 O ATOM 11615 H1 TIP3 3106 10.855 9.347 -12.446 1.00 0.00 WT1 H ATOM 11616 H2 TIP3 3106 -20.939 0.265 9.157 1.00 0.00 WT1 H ATOM 11617 OH2 TIP3 3107 2.520 -4.284 8.031 1.00 0.00 WT1 O ATOM 11618 H1 TIP3 3107 -2.578 0.985 19.244 1.00 0.00 WT1 H ATOM 11619 H2 TIP3 3107 -6.928 -6.935 6.889 1.00 0.00 WT1 H ATOM 11620 OH2 TIP3 3108 8.681 4.570 0.962 1.00 0.00 WT1 O ATOM 11621 H1 TIP3 3108 11.569 10.451 -0.899 1.00 0.00 WT1 H ATOM 11622 H2 TIP3 3108 9.169 18.503 8.824 1.00 0.00 WT1 H ATOM 11623 OH2 TIP3 3109 0.768 4.496 0.134 1.00 0.00 WT1 O ATOM 11624 H1 TIP3 3109 8.734 10.004 9.030 1.00 0.00 WT1 H ATOM 11625 H2 TIP3 3109 4.211 4.833 -12.224 1.00 0.00 WT1 H ATOM 11626 OH2 TIP3 3110 -4.515 1.591 1.438 1.00 0.00 WT1 O ATOM 11627 H1 TIP3 3110 -10.294 7.579 -10.219 1.00 0.00 WT1 H ATOM 11628 H2 TIP3 3110 -3.139 11.745 8.549 1.00 0.00 WT1 H ATOM 11629 OH2 TIP3 3111 -0.337 3.858 -2.381 1.00 0.00 WT1 O ATOM 11630 H1 TIP3 3111 -4.224 -10.070 -4.498 1.00 0.00 WT1 H ATOM 11631 H2 TIP3 3111 2.950 14.643 -18.007 1.00 0.00 WT1 H ATOM 11632 OH2 TIP3 3112 3.996 -4.776 -1.384 1.00 0.00 WT1 O ATOM 11633 H1 TIP3 3112 12.199 -9.603 4.425 1.00 0.00 WT1 H ATOM 11634 H2 TIP3 3112 4.808 7.291 3.626 1.00 0.00 WT1 H ATOM 11635 OH2 TIP3 3113 4.764 -0.710 -4.409 1.00 0.00 WT1 O ATOM 11636 H1 TIP3 3113 -8.293 13.699 -7.172 1.00 0.00 WT1 H ATOM 11637 H2 TIP3 3113 9.546 -4.629 -2.430 1.00 0.00 WT1 H ATOM 11638 OH2 TIP3 3114 4.997 -3.605 3.591 1.00 0.00 WT1 O ATOM 11639 H1 TIP3 3114 -20.624 1.214 12.276 1.00 0.00 WT1 H ATOM 11640 H2 TIP3 3114 9.995 -3.961 2.552 1.00 0.00 WT1 H ATOM 11641 OH2 TIP3 3115 -0.106 0.176 -1.752 1.00 0.00 WT1 O ATOM 11642 H1 TIP3 3115 -4.442 2.143 4.484 1.00 0.00 WT1 H ATOM 11643 H2 TIP3 3115 -9.736 3.676 12.121 1.00 0.00 WT1 H ATOM 11644 OH2 TIP3 3116 -3.605 -0.298 1.324 1.00 0.00 WT1 O ATOM 11645 H1 TIP3 3116 -7.756 -0.672 -4.391 1.00 0.00 WT1 H ATOM 11646 H2 TIP3 3116 -7.724 -0.573 -4.642 1.00 0.00 WT1 H ATOM 11647 OH2 TIP3 3118 0.410 3.365 1.455 1.00 0.00 WT1 O ATOM 11648 H1 TIP3 3118 0.906 9.644 -10.339 1.00 0.00 WT1 H ATOM 11649 H2 TIP3 3118 -1.348 -5.847 19.942 1.00 0.00 WT1 H ATOM 11650 OH2 TIP3 3119 4.910 -3.568 -4.886 1.00 0.00 WT1 O ATOM 11651 H1 TIP3 3119 1.288 -16.282 -4.011 1.00 0.00 WT1 H ATOM 11652 H2 TIP3 3119 3.255 -9.663 -4.545 1.00 0.00 WT1 H ATOM 11653 OH2 TIP3 3120 4.588 -5.942 9.041 1.00 0.00 WT1 O ATOM 11654 H1 TIP3 3120 7.273 -11.423 10.482 1.00 0.00 WT1 H ATOM 11655 H2 TIP3 3120 17.580 1.389 -6.973 1.00 0.00 WT1 H ATOM 11656 OH2 TIP3 3121 -0.398 -0.401 0.656 1.00 0.00 WT1 O ATOM 11657 H1 TIP3 3121 13.538 24.597 11.292 1.00 0.00 WT1 H ATOM 11658 H2 TIP3 3121 20.184 -19.800 -5.506 1.00 0.00 WT1 H ATOM 11659 OH2 TIP3 3123 -6.055 -3.089 -0.768 1.00 0.00 WT1 O ATOM 11660 H1 TIP3 3123 -14.570 -18.602 4.744 1.00 0.00 WT1 H ATOM 11661 H2 TIP3 3123 -1.935 -0.528 21.197 1.00 0.00 WT1 H ATOM 11662 OH2 TIP3 3124 -2.781 -6.589 7.282 1.00 0.00 WT1 O ATOM 11663 H1 TIP3 3124 -9.164 -10.714 18.156 1.00 0.00 WT1 H ATOM 11664 H2 TIP3 3124 9.650 -0.823 -10.806 1.00 0.00 WT1 H ATOM 11665 OH2 TIP3 3126 -4.241 -0.306 -0.081 1.00 0.00 WT1 O ATOM 11666 H1 TIP3 3126 10.988 18.777 12.177 1.00 0.00 WT1 H ATOM 11667 H2 TIP3 3126 -4.069 26.608 8.309 1.00 0.00 WT1 H ATOM 11668 OH2 TIP3 3128 6.016 0.841 -3.994 1.00 0.00 WT1 O ATOM 11669 H1 TIP3 3128 10.005 9.035 -25.707 1.00 0.00 WT1 H ATOM 11670 H2 TIP3 3128 3.583 11.954 8.221 1.00 0.00 WT1 H ATOM 11671 OH2 TIP3 3129 -3.028 -2.793 1.800 1.00 0.00 WT1 O ATOM 11672 H1 TIP3 3129 6.467 -5.083 2.391 1.00 0.00 WT1 H ATOM 11673 H2 TIP3 3129 -13.045 -11.609 -22.711 1.00 0.00 WT1 H ATOM 11674 OH2 TIP3 3130 -2.689 2.250 -6.718 1.00 0.00 WT1 O ATOM 11675 H1 TIP3 3130 -5.255 -3.278 4.487 1.00 0.00 WT1 H ATOM 11676 H2 TIP3 3130 -1.601 14.447 -6.923 1.00 0.00 WT1 H ATOM 11677 OH2 TIP3 3131 0.018 -4.061 8.183 1.00 0.00 WT1 O ATOM 11678 H1 TIP3 3131 -17.223 -26.977 18.486 1.00 0.00 WT1 H ATOM 11679 H2 TIP3 3131 27.961 24.237 1.870 1.00 0.00 WT1 H ATOM 11680 OH2 TIP3 3132 -6.809 -3.473 -3.887 1.00 0.00 WT1 O ATOM 11681 H1 TIP3 3132 -6.392 -6.023 -1.200 1.00 0.00 WT1 H ATOM 11682 H2 TIP3 3132 -5.739 9.892 -13.061 1.00 0.00 WT1 H ATOM 11683 OH2 TIP3 3134 4.666 4.406 -0.565 1.00 0.00 WT1 O ATOM 11684 H1 TIP3 3134 1.425 -8.240 -11.352 1.00 0.00 WT1 H ATOM 11685 H2 TIP3 3134 3.665 10.398 6.555 1.00 0.00 WT1 H ATOM 11686 OH2 TIP3 3135 -5.843 -5.535 5.821 1.00 0.00 WT1 O ATOM 11687 H1 TIP3 3135 -5.465 -4.975 5.998 1.00 0.00 WT1 H ATOM 11688 H2 TIP3 3135 4.624 9.960 0.339 1.00 0.00 WT1 H ATOM 11689 OH2 TIP3 3136 -10.566 -1.843 -2.003 1.00 0.00 WT1 O ATOM 11690 H1 TIP3 3136 -13.731 -6.926 -4.723 1.00 0.00 WT1 H ATOM 11691 H2 TIP3 3136 10.266 31.991 16.141 1.00 0.00 WT1 H ATOM 11692 OH2 TIP3 3137 -2.277 -2.244 -1.245 1.00 0.00 WT1 O ATOM 11693 H1 TIP3 3137 11.951 1.160 21.790 1.00 0.00 WT1 H ATOM 11694 H2 TIP3 3137 -18.456 -4.820 -5.842 1.00 0.00 WT1 H ATOM 11695 OH2 TIP3 3138 4.516 -4.416 -1.218 1.00 0.00 WT1 O ATOM 11696 H1 TIP3 3138 2.975 -8.323 -5.860 1.00 0.00 WT1 H ATOM 11697 H2 TIP3 3138 0.978 -8.823 -13.548 1.00 0.00 WT1 H ATOM 11698 OH2 TIP3 3139 -2.877 2.970 -1.570 1.00 0.00 WT1 O ATOM 11699 H1 TIP3 3139 -12.263 23.705 -7.163 1.00 0.00 WT1 H ATOM 11700 H2 TIP3 3139 11.531 8.620 13.919 1.00 0.00 WT1 H ATOM 11701 OH2 TIP3 3140 -5.568 3.240 2.377 1.00 0.00 WT1 O ATOM 11702 H1 TIP3 3140 -4.750 -2.329 11.054 1.00 0.00 WT1 H ATOM 11703 H2 TIP3 3140 -11.252 -2.151 7.352 1.00 0.00 WT1 H ATOM 11704 OH2 TIP3 3142 -1.163 6.303 1.759 1.00 0.00 WT1 O ATOM 11705 H1 TIP3 3142 13.981 -35.526 16.769 1.00 0.00 WT1 H ATOM 11706 H2 TIP3 3142 9.535 -2.832 -37.631 1.00 0.00 WT1 H ATOM 11707 OH2 TIP3 3143 -1.794 3.291 0.377 1.00 0.00 WT1 O ATOM 11708 H1 TIP3 3143 -11.467 -14.090 21.380 1.00 0.00 WT1 H ATOM 11709 H2 TIP3 3143 -4.479 -7.701 -20.768 1.00 0.00 WT1 H ATOM 11710 OH2 TIP3 3144 -3.159 6.384 4.291 1.00 0.00 WT1 O ATOM 11711 H1 TIP3 3144 0.253 10.312 7.975 1.00 0.00 WT1 H ATOM 11712 H2 TIP3 3144 -22.175 3.374 9.073 1.00 0.00 WT1 H ATOM 11713 OH2 TIP3 3145 -0.623 2.321 1.632 1.00 0.00 WT1 O ATOM 11714 H1 TIP3 3145 -7.031 21.204 -6.459 1.00 0.00 WT1 H ATOM 11715 H2 TIP3 3145 -2.940 8.417 -0.376 1.00 0.00 WT1 H ATOM 11716 OH2 TIP3 3146 4.753 -1.089 -0.228 1.00 0.00 WT1 O ATOM 11717 H1 TIP3 3146 10.154 10.067 19.744 1.00 0.00 WT1 H ATOM 11718 H2 TIP3 3146 4.104 -2.640 -4.835 1.00 0.00 WT1 H ATOM 11719 OH2 TIP3 3147 4.253 3.182 -5.132 1.00 0.00 WT1 O ATOM 11720 H1 TIP3 3147 -23.021 -14.851 -10.821 1.00 0.00 WT1 H ATOM 11721 H2 TIP3 3147 -19.920 10.207 -11.217 1.00 0.00 WT1 H ATOM 11722 OH2 TIP3 3148 1.951 -5.163 -6.853 1.00 0.00 WT1 O ATOM 11723 H1 TIP3 3148 8.353 5.065 -2.282 1.00 0.00 WT1 H ATOM 11724 H2 TIP3 3148 -11.234 5.522 11.963 1.00 0.00 WT1 H ATOM 11725 OH2 TIP3 3149 0.527 -3.254 -3.889 1.00 0.00 WT1 O ATOM 11726 H1 TIP3 3149 -16.922 0.039 4.542 1.00 0.00 WT1 H ATOM 11727 H2 TIP3 3149 17.063 -0.704 -3.243 1.00 0.00 WT1 H ATOM 11728 OH2 TIP3 3150 3.438 -6.531 3.660 1.00 0.00 WT1 O ATOM 11729 H1 TIP3 3150 -5.392 -12.472 10.888 1.00 0.00 WT1 H ATOM 11730 H2 TIP3 3150 -14.988 -19.406 8.587 1.00 0.00 WT1 H ATOM 11731 OH2 TIP3 3152 -6.964 2.296 -1.535 1.00 0.00 WT1 O ATOM 11732 H1 TIP3 3152 -25.750 30.411 -19.247 1.00 0.00 WT1 H ATOM 11733 H2 TIP3 3152 30.989 -5.867 -15.718 1.00 0.00 WT1 H ATOM 11734 OH2 TIP3 3153 0.182 4.216 -1.102 1.00 0.00 WT1 O ATOM 11735 H1 TIP3 3153 2.014 -13.213 -21.988 1.00 0.00 WT1 H ATOM 11736 H2 TIP3 3153 13.906 -12.165 8.466 1.00 0.00 WT1 H ATOM 11737 OH2 TIP3 3154 -1.801 6.606 1.596 1.00 0.00 WT1 O ATOM 11738 H1 TIP3 3154 26.736 9.265 6.030 1.00 0.00 WT1 H ATOM 11739 H2 TIP3 3154 24.679 9.249 1.618 1.00 0.00 WT1 H ATOM 11740 OH2 TIP3 3155 0.676 -5.301 9.898 1.00 0.00 WT1 O ATOM 11741 H1 TIP3 3155 10.846 -2.078 -4.633 1.00 0.00 WT1 H ATOM 11742 H2 TIP3 3155 -2.993 10.459 13.790 1.00 0.00 WT1 H ATOM 11743 OH2 TIP3 3157 -6.451 4.694 1.019 1.00 0.00 WT1 O ATOM 11744 H1 TIP3 3157 -11.377 11.418 3.014 1.00 0.00 WT1 H ATOM 11745 H2 TIP3 3157 1.654 15.971 11.331 1.00 0.00 WT1 H ATOM 11746 OH2 TIP3 3158 3.472 -2.225 -1.333 1.00 0.00 WT1 O ATOM 11747 H1 TIP3 3158 11.878 -28.487 10.545 1.00 0.00 WT1 H ATOM 11748 H2 TIP3 3158 3.574 10.582 -7.638 1.00 0.00 WT1 H ATOM 11749 OH2 TIP3 3159 3.159 -1.947 5.446 1.00 0.00 WT1 O ATOM 11750 H1 TIP3 3159 -3.815 3.775 -3.367 1.00 0.00 WT1 H ATOM 11751 H2 TIP3 3159 10.582 1.482 14.634 1.00 0.00 WT1 H ATOM 11752 OH2 TIP3 3160 0.230 5.117 3.624 1.00 0.00 WT1 O ATOM 11753 H1 TIP3 3160 1.286 14.166 1.098 1.00 0.00 WT1 H ATOM 11754 H2 TIP3 3160 4.778 2.799 -0.462 1.00 0.00 WT1 H ATOM 11755 OH2 TIP3 3161 1.998 -3.490 -3.071 1.00 0.00 WT1 O ATOM 11756 H1 TIP3 3161 2.413 -1.204 1.979 1.00 0.00 WT1 H ATOM 11757 H2 TIP3 3161 3.317 -7.970 -2.160 1.00 0.00 WT1 H ATOM 11758 OH2 TIP3 3163 -0.253 -0.372 -0.042 1.00 0.00 WT1 O ATOM 11759 H1 TIP3 3163 -4.077 -2.997 -1.598 1.00 0.00 WT1 H ATOM 11760 H2 TIP3 3163 -5.341 -1.448 9.513 1.00 0.00 WT1 H ATOM 11761 OH2 TIP3 3164 9.692 -1.173 -4.939 1.00 0.00 WT1 O ATOM 11762 H1 TIP3 3164 22.683 -0.781 -5.571 1.00 0.00 WT1 H ATOM 11763 H2 TIP3 3164 12.756 3.874 3.309 1.00 0.00 WT1 H ATOM 11764 OH2 TIP3 3166 -1.919 3.997 -3.632 1.00 0.00 WT1 O ATOM 11765 H1 TIP3 3166 28.149 -24.760 -12.092 1.00 0.00 WT1 H ATOM 11766 H2 TIP3 3166 19.921 38.928 -14.563 1.00 0.00 WT1 H ATOM 11767 OH2 TIP3 3167 4.913 1.633 -1.150 1.00 0.00 WT1 O ATOM 11768 H1 TIP3 3167 3.982 14.164 -11.162 1.00 0.00 WT1 H ATOM 11769 H2 TIP3 3167 -18.343 6.598 -6.750 1.00 0.00 WT1 H ATOM 11770 OH2 TIP3 3168 -1.210 -4.744 -1.476 1.00 0.00 WT1 O ATOM 11771 H1 TIP3 3168 2.269 -7.977 -19.350 1.00 0.00 WT1 H ATOM 11772 H2 TIP3 3168 4.270 -4.630 1.980 1.00 0.00 WT1 H ATOM 11773 OH2 TIP3 3169 3.477 -4.143 3.927 1.00 0.00 WT1 O ATOM 11774 H1 TIP3 3169 4.669 -19.945 -41.702 1.00 0.00 WT1 H ATOM 11775 H2 TIP3 3169 -15.291 7.352 -8.929 1.00 0.00 WT1 H ATOM 11776 OH2 TIP3 3171 1.750 3.115 0.195 1.00 0.00 WT1 O ATOM 11777 H1 TIP3 3171 -9.328 16.531 -1.495 1.00 0.00 WT1 H ATOM 11778 H2 TIP3 3171 2.575 -1.802 -3.016 1.00 0.00 WT1 H ATOM 11779 OH2 TIP3 3173 -5.211 -6.986 -1.691 1.00 0.00 WT1 O ATOM 11780 H1 TIP3 3173 -5.648 0.408 5.828 1.00 0.00 WT1 H ATOM 11781 H2 TIP3 3173 5.703 -3.940 -6.218 1.00 0.00 WT1 H ATOM 11782 OH2 TIP3 3174 5.857 -3.808 -0.074 1.00 0.00 WT1 O ATOM 11783 H1 TIP3 3174 0.186 2.703 -5.361 1.00 0.00 WT1 H ATOM 11784 H2 TIP3 3174 6.979 -3.067 2.628 1.00 0.00 WT1 H ATOM 11785 OH2 TIP3 3175 0.260 -4.630 -0.889 1.00 0.00 WT1 O ATOM 11786 H1 TIP3 3175 -10.687 -20.911 1.059 1.00 0.00 WT1 H ATOM 11787 H2 TIP3 3175 28.366 9.928 -7.351 1.00 0.00 WT1 H ATOM 11788 OH2 TIP3 3176 -0.467 8.426 1.972 1.00 0.00 WT1 O ATOM 11789 H1 TIP3 3176 -4.751 1.192 -7.417 1.00 0.00 WT1 H ATOM 11790 H2 TIP3 3176 -9.763 10.424 9.079 1.00 0.00 WT1 H ATOM 11791 OH2 TIP3 3177 -0.002 4.456 -3.178 1.00 0.00 WT1 O ATOM 11792 H1 TIP3 3177 5.241 -1.188 -3.749 1.00 0.00 WT1 H ATOM 11793 H2 TIP3 3177 3.077 3.117 -0.816 1.00 0.00 WT1 H ATOM 11794 OH2 TIP3 3179 -0.134 1.331 4.653 1.00 0.00 WT1 O ATOM 11795 H1 TIP3 3179 -5.343 4.120 -9.041 1.00 0.00 WT1 H ATOM 11796 H2 TIP3 3179 0.043 1.766 4.160 1.00 0.00 WT1 H ATOM 11797 OH2 TIP3 3180 6.146 -1.724 -2.250 1.00 0.00 WT1 O ATOM 11798 H1 TIP3 3180 0.933 15.946 -16.206 1.00 0.00 WT1 H ATOM 11799 H2 TIP3 3180 -6.306 11.838 8.813 1.00 0.00 WT1 H ATOM 11800 OH2 TIP3 3181 -0.420 2.143 4.113 1.00 0.00 WT1 O ATOM 11801 H1 TIP3 3181 8.743 -10.550 -0.111 1.00 0.00 WT1 H ATOM 11802 H2 TIP3 3181 -11.079 -0.612 -10.677 1.00 0.00 WT1 H ATOM 11803 OH2 TIP3 3183 2.909 6.525 1.253 1.00 0.00 WT1 O ATOM 11804 H1 TIP3 3183 8.178 14.803 5.704 1.00 0.00 WT1 H ATOM 11805 H2 TIP3 3183 21.642 24.627 4.963 1.00 0.00 WT1 H ATOM 11806 OH2 TIP3 3184 -0.652 3.224 2.100 1.00 0.00 WT1 O ATOM 11807 H1 TIP3 3184 -4.873 13.563 6.089 1.00 0.00 WT1 H ATOM 11808 H2 TIP3 3184 3.134 -7.653 0.513 1.00 0.00 WT1 H ATOM 11809 OH2 TIP3 3186 -0.306 2.043 -2.859 1.00 0.00 WT1 O ATOM 11810 H1 TIP3 3186 -31.712 5.227 11.019 1.00 0.00 WT1 H ATOM 11811 H2 TIP3 3186 11.657 -3.283 -22.484 1.00 0.00 WT1 H ATOM 11812 OH2 TIP3 3187 -1.106 -1.493 4.034 1.00 0.00 WT1 O ATOM 11813 H1 TIP3 3187 -4.836 4.499 -6.777 1.00 0.00 WT1 H ATOM 11814 H2 TIP3 3187 7.333 -11.762 -4.348 1.00 0.00 WT1 H ATOM 11815 OH2 TIP3 3188 3.775 4.544 4.458 1.00 0.00 WT1 O ATOM 11816 H1 TIP3 3188 10.276 2.923 -1.796 1.00 0.00 WT1 H ATOM 11817 H2 TIP3 3188 9.748 -9.342 -4.729 1.00 0.00 WT1 H ATOM 11818 OH2 TIP3 3189 -3.750 -4.787 6.641 1.00 0.00 WT1 O ATOM 11819 H1 TIP3 3189 -7.456 -10.836 -12.923 1.00 0.00 WT1 H ATOM 11820 H2 TIP3 3189 -5.498 -7.763 -2.202 1.00 0.00 WT1 H ATOM 11821 OH2 TIP3 3190 1.639 3.021 7.604 1.00 0.00 WT1 O ATOM 11822 H1 TIP3 3190 11.579 -3.787 -7.253 1.00 0.00 WT1 H ATOM 11823 H2 TIP3 3190 -10.041 -9.690 3.928 1.00 0.00 WT1 H ATOM 11824 OH2 TIP3 3191 7.280 2.208 4.258 1.00 0.00 WT1 O ATOM 11825 H1 TIP3 3191 -0.602 4.315 5.352 1.00 0.00 WT1 H ATOM 11826 H2 TIP3 3191 14.286 14.595 3.851 1.00 0.00 WT1 H ATOM 11827 OH2 TIP3 3192 -0.649 1.169 -4.762 1.00 0.00 WT1 O ATOM 11828 H1 TIP3 3192 3.420 6.045 -4.869 1.00 0.00 WT1 H ATOM 11829 H2 TIP3 3192 -8.987 -3.776 -3.547 1.00 0.00 WT1 H ATOM 11830 OH2 TIP3 3193 -2.940 -0.060 -2.501 1.00 0.00 WT1 O ATOM 11831 H1 TIP3 3193 -0.811 -5.106 -1.179 1.00 0.00 WT1 H ATOM 11832 H2 TIP3 3193 -3.324 -1.619 -1.065 1.00 0.00 WT1 H ATOM 11833 OH2 TIP3 3194 4.679 5.324 2.877 1.00 0.00 WT1 O ATOM 11834 H1 TIP3 3194 -12.899 1.735 8.468 1.00 0.00 WT1 H ATOM 11835 H2 TIP3 3194 -2.785 15.614 -16.890 1.00 0.00 WT1 H ATOM 11836 OH2 TIP3 3195 -3.320 0.182 -5.314 1.00 0.00 WT1 O ATOM 11837 H1 TIP3 3195 -14.202 2.686 -7.880 1.00 0.00 WT1 H ATOM 11838 H2 TIP3 3195 26.101 -16.755 -12.776 1.00 0.00 WT1 H ATOM 11839 OH2 TIP3 3196 -7.246 -4.025 7.115 1.00 0.00 WT1 O ATOM 11840 H1 TIP3 3196 -7.436 7.256 -8.085 1.00 0.00 WT1 H ATOM 11841 H2 TIP3 3196 -20.973 -2.836 12.992 1.00 0.00 WT1 H ATOM 11842 OH2 TIP3 3197 -3.126 4.694 0.588 1.00 0.00 WT1 O ATOM 11843 H1 TIP3 3197 4.875 -14.247 0.480 1.00 0.00 WT1 H ATOM 11844 H2 TIP3 3197 8.278 -20.819 8.702 1.00 0.00 WT1 H ATOM 11845 OH2 TIP3 3198 -1.426 -1.949 -4.586 1.00 0.00 WT1 O ATOM 11846 H1 TIP3 3198 -7.730 -1.294 11.483 1.00 0.00 WT1 H ATOM 11847 H2 TIP3 3198 9.697 -15.773 -2.708 1.00 0.00 WT1 H ATOM 11848 OH2 TIP3 3199 5.045 4.426 1.241 1.00 0.00 WT1 O ATOM 11849 H1 TIP3 3199 11.871 -1.725 4.205 1.00 0.00 WT1 H ATOM 11850 H2 TIP3 3199 -14.968 14.671 -7.551 1.00 0.00 WT1 H ATOM 11851 OH2 TIP3 3200 5.911 0.780 2.593 1.00 0.00 WT1 O ATOM 11852 H1 TIP3 3200 11.618 -5.765 -18.643 1.00 0.00 WT1 H ATOM 11853 H2 TIP3 3200 6.762 -4.795 15.378 1.00 0.00 WT1 H ATOM 11854 OH2 TIP3 3202 -0.114 -0.314 1.355 1.00 0.00 WT1 O ATOM 11855 H1 TIP3 3202 7.363 0.669 21.014 1.00 0.00 WT1 H ATOM 11856 H2 TIP3 3202 -32.930 12.953 -2.709 1.00 0.00 WT1 H ATOM 11857 OH2 TIP3 3206 3.578 6.042 -7.047 1.00 0.00 WT1 O ATOM 11858 H1 TIP3 3206 12.377 -7.693 -20.424 1.00 0.00 WT1 H ATOM 11859 H2 TIP3 3206 -8.305 14.740 -9.201 1.00 0.00 WT1 H ATOM 11860 OH2 TIP3 3207 1.820 -3.164 2.281 1.00 0.00 WT1 O ATOM 11861 H1 TIP3 3207 -18.640 -20.650 6.451 1.00 0.00 WT1 H ATOM 11862 H2 TIP3 3207 11.225 2.806 1.623 1.00 0.00 WT1 H ATOM 11863 OH2 TIP3 3208 -3.445 -3.627 -1.672 1.00 0.00 WT1 O ATOM 11864 H1 TIP3 3208 6.708 -12.471 19.069 1.00 0.00 WT1 H ATOM 11865 H2 TIP3 3208 -1.278 3.924 -16.952 1.00 0.00 WT1 H ATOM 11866 OH2 TIP3 3209 -2.444 4.682 1.904 1.00 0.00 WT1 O ATOM 11867 H1 TIP3 3209 -4.062 2.574 6.026 1.00 0.00 WT1 H ATOM 11868 H2 TIP3 3209 -9.218 7.522 15.694 1.00 0.00 WT1 H ATOM 11869 OH2 TIP3 3210 1.199 3.567 -0.660 1.00 0.00 WT1 O ATOM 11870 H1 TIP3 3210 -5.092 2.722 5.684 1.00 0.00 WT1 H ATOM 11871 H2 TIP3 3210 7.367 2.017 14.033 1.00 0.00 WT1 H ATOM 11872 OH2 TIP3 3211 -0.127 7.123 -3.400 1.00 0.00 WT1 O ATOM 11873 H1 TIP3 3211 18.062 -13.068 -4.022 1.00 0.00 WT1 H ATOM 11874 H2 TIP3 3211 2.516 3.666 -3.383 1.00 0.00 WT1 H ATOM 11875 OH2 TIP3 3212 3.770 3.982 -1.049 1.00 0.00 WT1 O ATOM 11876 H1 TIP3 3212 -6.787 -12.207 15.063 1.00 0.00 WT1 H ATOM 11877 H2 TIP3 3212 6.714 -18.334 -11.184 1.00 0.00 WT1 H ATOM 11878 OH2 TIP3 3213 -0.337 -1.343 -5.291 1.00 0.00 WT1 O ATOM 11879 H1 TIP3 3213 -13.865 -13.051 -3.613 1.00 0.00 WT1 H ATOM 11880 H2 TIP3 3213 2.304 -7.915 -5.820 1.00 0.00 WT1 H ATOM 11881 OH2 TIP3 3214 0.900 -2.065 -3.189 1.00 0.00 WT1 O ATOM 11882 H1 TIP3 3214 -16.734 -16.156 1.530 1.00 0.00 WT1 H ATOM 11883 H2 TIP3 3214 6.041 -4.020 5.835 1.00 0.00 WT1 H ATOM 11884 OH2 TIP3 3215 -0.300 0.755 6.652 1.00 0.00 WT1 O ATOM 11885 H1 TIP3 3215 2.999 -7.371 11.563 1.00 0.00 WT1 H ATOM 11886 H2 TIP3 3215 3.797 8.558 1.119 1.00 0.00 WT1 H ATOM 11887 OH2 TIP3 3216 -3.375 -2.345 -7.394 1.00 0.00 WT1 O ATOM 11888 H1 TIP3 3216 3.399 6.746 -19.727 1.00 0.00 WT1 H ATOM 11889 H2 TIP3 3216 -16.241 1.354 -4.611 1.00 0.00 WT1 H ATOM 11890 OH2 TIP3 3217 -7.052 5.609 -2.071 1.00 0.00 WT1 O ATOM 11891 H1 TIP3 3217 -1.979 24.103 -3.210 1.00 0.00 WT1 H ATOM 11892 H2 TIP3 3217 -3.528 1.264 -24.174 1.00 0.00 WT1 H ATOM 11893 OH2 TIP3 3218 -1.295 0.203 -2.153 1.00 0.00 WT1 O ATOM 11894 H1 TIP3 3218 24.854 32.473 17.961 1.00 0.00 WT1 H ATOM 11895 H2 TIP3 3218 5.797 -13.843 -11.296 1.00 0.00 WT1 H ATOM 11896 OH2 TIP3 3219 2.968 3.033 7.953 1.00 0.00 WT1 O ATOM 11897 H1 TIP3 3219 -8.810 2.218 8.052 1.00 0.00 WT1 H ATOM 11898 H2 TIP3 3219 -9.994 12.577 6.184 1.00 0.00 WT1 H ATOM 11899 OH2 TIP3 3220 0.812 1.403 -6.014 1.00 0.00 WT1 O ATOM 11900 H1 TIP3 3220 12.827 -1.235 -4.563 1.00 0.00 WT1 H ATOM 11901 H2 TIP3 3220 -6.640 -7.161 -12.280 1.00 0.00 WT1 H ATOM 11902 OH2 TIP3 3223 -7.446 -1.463 -3.487 1.00 0.00 WT1 O ATOM 11903 H1 TIP3 3223 -19.160 6.254 -19.973 1.00 0.00 WT1 H ATOM 11904 H2 TIP3 3223 -19.681 6.305 -0.984 1.00 0.00 WT1 H ATOM 11905 OH2 TIP3 3225 -5.580 -1.294 -8.042 1.00 0.00 WT1 O ATOM 11906 H1 TIP3 3225 -5.526 18.786 -6.383 1.00 0.00 WT1 H ATOM 11907 H2 TIP3 3225 -9.902 -24.642 -13.553 1.00 0.00 WT1 H ATOM 11908 OH2 TIP3 3226 -0.403 -9.223 2.236 1.00 0.00 WT1 O ATOM 11909 H1 TIP3 3226 -10.897 -5.408 22.136 1.00 0.00 WT1 H ATOM 11910 H2 TIP3 3226 8.822 -11.666 -17.108 1.00 0.00 WT1 H ATOM 11911 OH2 TIP3 3227 -1.148 -2.690 -3.653 1.00 0.00 WT1 O ATOM 11912 H1 TIP3 3227 8.780 -13.402 -16.936 1.00 0.00 WT1 H ATOM 11913 H2 TIP3 3227 -12.585 -0.837 5.839 1.00 0.00 WT1 H ATOM 11914 OH2 TIP3 3228 -4.205 2.710 -6.980 1.00 0.00 WT1 O ATOM 11915 H1 TIP3 3228 -0.553 6.346 -11.998 1.00 0.00 WT1 H ATOM 11916 H2 TIP3 3228 -4.678 13.249 17.573 1.00 0.00 WT1 H ATOM 11917 OH2 TIP3 3230 -1.417 -3.359 -0.669 1.00 0.00 WT1 O ATOM 11918 H1 TIP3 3230 -20.777 -6.963 -12.942 1.00 0.00 WT1 H ATOM 11919 H2 TIP3 3230 2.499 -14.197 12.581 1.00 0.00 WT1 H ATOM 11920 OH2 TIP3 3231 -1.896 0.022 -3.587 1.00 0.00 WT1 O ATOM 11921 H1 TIP3 3231 -1.850 4.190 -13.421 1.00 0.00 WT1 H ATOM 11922 H2 TIP3 3231 -4.627 -0.031 -19.825 1.00 0.00 WT1 H ATOM 11923 OH2 TIP3 3232 -5.136 -5.114 1.299 1.00 0.00 WT1 O ATOM 11924 H1 TIP3 3232 8.651 -3.336 -4.965 1.00 0.00 WT1 H ATOM 11925 H2 TIP3 3232 0.635 -7.550 -4.617 1.00 0.00 WT1 H ATOM 11926 OH2 TIP3 3233 -0.831 -1.966 1.072 1.00 0.00 WT1 O ATOM 11927 H1 TIP3 3233 4.397 -11.625 -4.494 1.00 0.00 WT1 H ATOM 11928 H2 TIP3 3233 5.385 0.999 -2.282 1.00 0.00 WT1 H ATOM 11929 OH2 TIP3 3234 2.729 2.025 0.914 1.00 0.00 WT1 O ATOM 11930 H1 TIP3 3234 10.849 12.953 -1.130 1.00 0.00 WT1 H ATOM 11931 H2 TIP3 3234 -10.487 -12.475 3.794 1.00 0.00 WT1 H ATOM 11932 OH2 TIP3 3235 -4.408 5.540 -7.129 1.00 0.00 WT1 O ATOM 11933 H1 TIP3 3235 -2.939 -1.838 -24.927 1.00 0.00 WT1 H ATOM 11934 H2 TIP3 3235 -1.124 -3.661 5.948 1.00 0.00 WT1 H ATOM 11935 OH2 TIP3 3236 0.198 0.797 -1.851 1.00 0.00 WT1 O ATOM 11936 H1 TIP3 3236 -37.898 2.874 -1.845 1.00 0.00 WT1 H ATOM 11937 H2 TIP3 3236 11.867 24.054 3.417 1.00 0.00 WT1 H ATOM 11938 OH2 TIP3 3237 -0.211 -4.774 -4.736 1.00 0.00 WT1 O ATOM 11939 H1 TIP3 3237 8.965 -1.795 13.716 1.00 0.00 WT1 H ATOM 11940 H2 TIP3 3237 -5.360 -5.974 -16.231 1.00 0.00 WT1 H ATOM 11941 OH2 TIP3 3238 -4.433 -2.763 1.514 1.00 0.00 WT1 O ATOM 11942 H1 TIP3 3238 -6.029 0.511 -7.546 1.00 0.00 WT1 H ATOM 11943 H2 TIP3 3238 -3.252 -1.746 11.254 1.00 0.00 WT1 H ATOM 11944 OH2 TIP3 3239 9.582 -4.147 -2.391 1.00 0.00 WT1 O ATOM 11945 H1 TIP3 3239 -0.581 -0.450 28.564 1.00 0.00 WT1 H ATOM 11946 H2 TIP3 3239 0.930 -7.650 2.158 1.00 0.00 WT1 H ATOM 11947 OH2 TIP3 3240 -3.640 -0.551 1.693 1.00 0.00 WT1 O ATOM 11948 H1 TIP3 3240 -7.664 -8.877 5.305 1.00 0.00 WT1 H ATOM 11949 H2 TIP3 3240 -12.846 -1.363 -6.491 1.00 0.00 WT1 H ATOM 11950 OH2 TIP3 3241 1.548 5.004 0.086 1.00 0.00 WT1 O ATOM 11951 H1 TIP3 3241 -2.431 9.666 -0.908 1.00 0.00 WT1 H ATOM 11952 H2 TIP3 3241 7.450 -2.285 -2.102 1.00 0.00 WT1 H ATOM 11953 OH2 TIP3 3242 -6.127 1.463 -1.160 1.00 0.00 WT1 O ATOM 11954 H1 TIP3 3242 -4.909 -8.516 0.400 1.00 0.00 WT1 H ATOM 11955 H2 TIP3 3242 -2.051 -1.341 -12.468 1.00 0.00 WT1 H ATOM 11956 OH2 TIP3 3243 -4.411 -6.326 0.965 1.00 0.00 WT1 O ATOM 11957 H1 TIP3 3243 -19.141 -0.326 4.593 1.00 0.00 WT1 H ATOM 11958 H2 TIP3 3243 19.104 -17.477 15.546 1.00 0.00 WT1 H ATOM 11959 OH2 TIP3 3244 3.673 1.620 5.141 1.00 0.00 WT1 O ATOM 11960 H1 TIP3 3244 2.216 -3.897 -0.240 1.00 0.00 WT1 H ATOM 11961 H2 TIP3 3244 3.314 17.224 -0.561 1.00 0.00 WT1 H ATOM 11962 OH2 TIP3 3245 -1.315 2.775 3.254 1.00 0.00 WT1 O ATOM 11963 H1 TIP3 3245 -5.637 13.782 12.056 1.00 0.00 WT1 H ATOM 11964 H2 TIP3 3245 4.427 1.150 6.867 1.00 0.00 WT1 H ATOM 11965 OH2 TIP3 3246 -8.836 -1.011 5.731 1.00 0.00 WT1 O ATOM 11966 H1 TIP3 3246 -6.668 0.332 16.515 1.00 0.00 WT1 H ATOM 11967 H2 TIP3 3246 -4.819 1.593 -2.567 1.00 0.00 WT1 H ATOM 11968 OH2 TIP3 3247 3.434 -2.986 -3.555 1.00 0.00 WT1 O ATOM 11969 H1 TIP3 3247 -16.775 8.620 -15.456 1.00 0.00 WT1 H ATOM 11970 H2 TIP3 3247 -3.762 -8.770 12.746 1.00 0.00 WT1 H ATOM 11971 OH2 TIP3 3249 6.898 -3.464 2.603 1.00 0.00 WT1 O ATOM 11972 H1 TIP3 3249 16.753 1.531 -15.010 1.00 0.00 WT1 H ATOM 11973 H2 TIP3 3249 7.653 -3.075 1.932 1.00 0.00 WT1 H ATOM 11974 OH2 TIP3 3250 2.840 1.794 -0.129 1.00 0.00 WT1 O ATOM 11975 H1 TIP3 3250 6.321 -2.286 4.443 1.00 0.00 WT1 H ATOM 11976 H2 TIP3 3250 1.447 5.817 -4.002 1.00 0.00 WT1 H ATOM 11977 OH2 TIP3 3251 1.587 -2.056 -2.742 1.00 0.00 WT1 O ATOM 11978 H1 TIP3 3251 2.785 12.546 -1.746 1.00 0.00 WT1 H ATOM 11979 H2 TIP3 3251 -28.629 23.238 -3.032 1.00 0.00 WT1 H ATOM 11980 OH2 TIP3 3252 4.073 0.773 -4.713 1.00 0.00 WT1 O ATOM 11981 H1 TIP3 3252 28.601 -15.665 -2.654 1.00 0.00 WT1 H ATOM 11982 H2 TIP3 3252 2.223 -2.215 0.120 1.00 0.00 WT1 H ATOM 11983 OH2 TIP3 3253 -4.013 -3.272 -0.775 1.00 0.00 WT1 O ATOM 11984 H1 TIP3 3253 3.195 6.086 -1.397 1.00 0.00 WT1 H ATOM 11985 H2 TIP3 3253 3.034 -11.801 -6.903 1.00 0.00 WT1 H ATOM 11986 OH2 TIP3 3254 -6.971 -2.955 2.414 1.00 0.00 WT1 O ATOM 11987 H1 TIP3 3254 12.618 -1.845 -23.886 1.00 0.00 WT1 H ATOM 11988 H2 TIP3 3254 -14.856 -5.628 11.528 1.00 0.00 WT1 H ATOM 11989 OH2 TIP3 3255 5.978 -1.163 9.321 1.00 0.00 WT1 O ATOM 11990 H1 TIP3 3255 3.822 -9.241 23.465 1.00 0.00 WT1 H ATOM 11991 H2 TIP3 3255 14.911 3.478 14.714 1.00 0.00 WT1 H ATOM 11992 OH2 TIP3 3256 -3.209 0.154 -1.265 1.00 0.00 WT1 O ATOM 11993 H1 TIP3 3256 -0.004 -4.949 -16.738 1.00 0.00 WT1 H ATOM 11994 H2 TIP3 3256 6.984 11.388 0.846 1.00 0.00 WT1 H ATOM 11995 OH2 TIP3 3257 -4.141 0.208 2.373 1.00 0.00 WT1 O ATOM 11996 H1 TIP3 3257 4.865 -10.706 5.766 1.00 0.00 WT1 H ATOM 11997 H2 TIP3 3257 10.341 -6.560 29.585 1.00 0.00 WT1 H ATOM 11998 OH2 TIP3 3258 -4.188 1.064 -3.905 1.00 0.00 WT1 O ATOM 11999 H1 TIP3 3258 -19.753 -0.217 -8.046 1.00 0.00 WT1 H ATOM 12000 H2 TIP3 3258 -0.832 -5.040 9.795 1.00 0.00 WT1 H ATOM 12001 OH2 TIP3 3259 -9.358 -2.719 2.182 1.00 0.00 WT1 O ATOM 12002 H1 TIP3 3259 11.960 -29.663 -4.924 1.00 0.00 WT1 H ATOM 12003 H2 TIP3 3259 -13.588 13.679 1.074 1.00 0.00 WT1 H ATOM 12004 OH2 TIP3 3260 -4.695 0.725 -5.290 1.00 0.00 WT1 O ATOM 12005 H1 TIP3 3260 3.018 -2.494 -2.316 1.00 0.00 WT1 H ATOM 12006 H2 TIP3 3260 -1.904 5.573 -9.112 1.00 0.00 WT1 H ATOM 12007 OH2 TIP3 3262 -7.620 4.636 4.775 1.00 0.00 WT1 O ATOM 12008 H1 TIP3 3262 -7.054 12.153 4.513 1.00 0.00 WT1 H ATOM 12009 H2 TIP3 3262 -1.868 -26.900 0.942 1.00 0.00 WT1 H ATOM 12010 OH2 TIP3 3263 -4.899 1.809 -5.839 1.00 0.00 WT1 O ATOM 12011 H1 TIP3 3263 -7.487 -6.124 1.413 1.00 0.00 WT1 H ATOM 12012 H2 TIP3 3263 -6.538 5.959 -9.759 1.00 0.00 WT1 H ATOM 12013 OH2 TIP3 3264 -7.125 -1.258 6.044 1.00 0.00 WT1 O ATOM 12014 H1 TIP3 3264 -4.949 11.070 -9.614 1.00 0.00 WT1 H ATOM 12015 H2 TIP3 3264 -13.752 9.234 19.847 1.00 0.00 WT1 H ATOM 12016 OH2 TIP3 3265 0.531 -1.535 1.222 1.00 0.00 WT1 O ATOM 12017 H1 TIP3 3265 -3.885 12.620 13.598 1.00 0.00 WT1 H ATOM 12018 H2 TIP3 3265 -23.826 -5.830 1.179 1.00 0.00 WT1 H ATOM 12019 OH2 TIP3 3266 -4.640 -0.272 -2.990 1.00 0.00 WT1 O ATOM 12020 H1 TIP3 3266 -8.052 -0.605 -2.637 1.00 0.00 WT1 H ATOM 12021 H2 TIP3 3266 6.218 -2.437 -4.159 1.00 0.00 WT1 H ATOM 12022 OH2 TIP3 3268 3.113 0.661 -1.694 1.00 0.00 WT1 O ATOM 12023 H1 TIP3 3268 4.552 0.618 -1.915 1.00 0.00 WT1 H ATOM 12024 H2 TIP3 3268 3.611 5.155 2.335 1.00 0.00 WT1 H ATOM 12025 OH2 TIP3 3269 -0.882 0.565 3.894 1.00 0.00 WT1 O ATOM 12026 H1 TIP3 3269 -4.299 -12.654 5.816 1.00 0.00 WT1 H ATOM 12027 H2 TIP3 3269 7.110 1.414 13.670 1.00 0.00 WT1 H ATOM 12028 OH2 TIP3 3270 -4.624 2.059 7.738 1.00 0.00 WT1 O ATOM 12029 H1 TIP3 3270 8.355 -22.925 20.323 1.00 0.00 WT1 H ATOM 12030 H2 TIP3 3270 20.520 10.068 -32.517 1.00 0.00 WT1 H ATOM 12031 OH2 TIP3 3271 -1.001 2.183 1.829 1.00 0.00 WT1 O ATOM 12032 H1 TIP3 3271 -5.147 14.621 -8.027 1.00 0.00 WT1 H ATOM 12033 H2 TIP3 3271 17.620 2.273 -1.766 1.00 0.00 WT1 H ATOM 12034 OH2 TIP3 3274 -2.603 -7.352 0.511 1.00 0.00 WT1 O ATOM 12035 H1 TIP3 3274 0.967 0.485 8.827 1.00 0.00 WT1 H ATOM 12036 H2 TIP3 3274 0.786 -9.674 3.308 1.00 0.00 WT1 H ATOM 12037 OH2 TIP3 3276 -5.192 -2.780 -3.907 1.00 0.00 WT1 O ATOM 12038 H1 TIP3 3276 -6.877 2.294 13.702 1.00 0.00 WT1 H ATOM 12039 H2 TIP3 3276 -10.860 -5.288 27.392 1.00 0.00 WT1 H ATOM 12040 OH2 TIP3 3277 -1.561 4.873 -5.974 1.00 0.00 WT1 O ATOM 12041 H1 TIP3 3277 8.890 6.556 -1.664 1.00 0.00 WT1 H ATOM 12042 H2 TIP3 3277 12.854 6.834 0.073 1.00 0.00 WT1 H ATOM 12043 OH2 TIP3 3278 0.959 -2.987 -0.836 1.00 0.00 WT1 O ATOM 12044 H1 TIP3 3278 1.199 4.881 -15.705 1.00 0.00 WT1 H ATOM 12045 H2 TIP3 3278 12.749 -6.875 -26.614 1.00 0.00 WT1 H ATOM 12046 OH2 TIP3 3279 3.745 -3.584 -3.621 1.00 0.00 WT1 O ATOM 12047 H1 TIP3 3279 5.665 -5.081 6.271 1.00 0.00 WT1 H ATOM 12048 H2 TIP3 3279 -4.303 2.181 -2.005 1.00 0.00 WT1 H ATOM 12049 OH2 TIP3 3280 -6.073 -4.344 -2.984 1.00 0.00 WT1 O ATOM 12050 H1 TIP3 3280 -16.495 5.781 -0.244 1.00 0.00 WT1 H ATOM 12051 H2 TIP3 3280 -10.257 8.812 -3.907 1.00 0.00 WT1 H ATOM 12052 OH2 TIP3 3281 -0.249 -1.772 -2.436 1.00 0.00 WT1 O ATOM 12053 H1 TIP3 3281 -17.850 -15.499 -9.886 1.00 0.00 WT1 H ATOM 12054 H2 TIP3 3281 12.862 -12.721 -2.766 1.00 0.00 WT1 H ATOM 12055 OH2 TIP3 3282 -1.916 3.178 7.712 1.00 0.00 WT1 O ATOM 12056 H1 TIP3 3282 -28.964 -1.016 -14.456 1.00 0.00 WT1 H ATOM 12057 H2 TIP3 3282 -4.527 1.311 5.810 1.00 0.00 WT1 H ATOM 12058 OH2 TIP3 3283 -0.092 1.986 5.766 1.00 0.00 WT1 O ATOM 12059 H1 TIP3 3283 -16.189 12.551 -4.741 1.00 0.00 WT1 H ATOM 12060 H2 TIP3 3283 -8.783 7.502 -9.471 1.00 0.00 WT1 H ATOM 12061 OH2 TIP3 3284 -0.147 0.609 -4.932 1.00 0.00 WT1 O ATOM 12062 H1 TIP3 3284 12.992 -19.096 -15.719 1.00 0.00 WT1 H ATOM 12063 H2 TIP3 3284 13.836 2.833 6.495 1.00 0.00 WT1 H ATOM 12064 OH2 TIP3 3285 1.060 -3.101 -0.213 1.00 0.00 WT1 O ATOM 12065 H1 TIP3 3285 -12.056 11.221 -14.931 1.00 0.00 WT1 H ATOM 12066 H2 TIP3 3285 6.963 18.668 -8.202 1.00 0.00 WT1 H ATOM 12067 OH2 TIP3 3287 1.033 -3.858 6.357 1.00 0.00 WT1 O ATOM 12068 H1 TIP3 3287 17.501 -22.699 -2.683 1.00 0.00 WT1 H ATOM 12069 H2 TIP3 3287 -8.589 3.324 10.895 1.00 0.00 WT1 H ATOM 12070 OH2 TIP3 3289 -2.424 -2.478 -1.505 1.00 0.00 WT1 O ATOM 12071 H1 TIP3 3289 -13.572 4.255 12.654 1.00 0.00 WT1 H ATOM 12072 H2 TIP3 3289 3.260 0.285 -10.507 1.00 0.00 WT1 H ATOM 12073 OH2 TIP3 3292 4.625 4.570 -0.008 1.00 0.00 WT1 O ATOM 12074 H1 TIP3 3292 4.550 -8.178 -7.206 1.00 0.00 WT1 H ATOM 12075 H2 TIP3 3292 -3.353 6.182 5.205 1.00 0.00 WT1 H ATOM 12076 OH2 TIP3 3294 -1.411 -4.526 4.115 1.00 0.00 WT1 O ATOM 12077 H1 TIP3 3294 11.450 -2.795 19.251 1.00 0.00 WT1 H ATOM 12078 H2 TIP3 3294 -19.558 -7.345 -12.053 1.00 0.00 WT1 H ATOM 12079 OH2 TIP3 3295 -2.197 -1.632 3.112 1.00 0.00 WT1 O ATOM 12080 H1 TIP3 3295 17.924 1.705 28.495 1.00 0.00 WT1 H ATOM 12081 H2 TIP3 3295 -14.273 0.669 -12.609 1.00 0.00 WT1 H ATOM 12082 OH2 TIP3 3296 7.117 5.794 -0.485 1.00 0.00 WT1 O ATOM 12083 H1 TIP3 3296 -14.523 5.674 1.987 1.00 0.00 WT1 H ATOM 12084 H2 TIP3 3296 8.801 6.023 -0.797 1.00 0.00 WT1 H ATOM 12085 OH2 TIP3 3297 -2.317 4.134 3.558 1.00 0.00 WT1 O ATOM 12086 H1 TIP3 3297 14.371 -5.511 0.435 1.00 0.00 WT1 H ATOM 12087 H2 TIP3 3297 6.124 -7.069 -8.876 1.00 0.00 WT1 H ATOM 12088 OH2 TIP3 3298 0.839 -0.025 2.788 1.00 0.00 WT1 O ATOM 12089 H1 TIP3 3298 2.630 -9.170 -6.473 1.00 0.00 WT1 H ATOM 12090 H2 TIP3 3298 -1.029 4.212 0.841 1.00 0.00 WT1 H ATOM 12091 OH2 TIP3 3299 1.470 0.245 1.104 1.00 0.00 WT1 O ATOM 12092 H1 TIP3 3299 -22.894 5.535 -9.385 1.00 0.00 WT1 H ATOM 12093 H2 TIP3 3299 -4.327 -7.224 -0.374 1.00 0.00 WT1 H ATOM 12094 OH2 TIP3 3300 2.489 -1.341 -0.458 1.00 0.00 WT1 O ATOM 12095 H1 TIP3 3300 1.718 -5.775 -0.210 1.00 0.00 WT1 H ATOM 12096 H2 TIP3 3300 4.125 -2.098 0.112 1.00 0.00 WT1 H ATOM 12097 OH2 TIP3 3301 6.940 1.591 -2.009 1.00 0.00 WT1 O ATOM 12098 H1 TIP3 3301 -2.458 -12.984 3.270 1.00 0.00 WT1 H ATOM 12099 H2 TIP3 3301 3.471 -32.269 5.015 1.00 0.00 WT1 H ATOM 12100 OH2 TIP3 3302 7.307 1.749 0.620 1.00 0.00 WT1 O ATOM 12101 H1 TIP3 3302 -6.495 14.591 -12.450 1.00 0.00 WT1 H ATOM 12102 H2 TIP3 3302 -10.154 17.363 -13.759 1.00 0.00 WT1 H ATOM 12103 OH2 TIP3 3303 3.139 -1.480 -1.044 1.00 0.00 WT1 O ATOM 12104 H1 TIP3 3303 -9.602 -18.118 15.973 1.00 0.00 WT1 H ATOM 12105 H2 TIP3 3303 10.967 -16.653 -12.489 1.00 0.00 WT1 H ATOM 12106 OH2 TIP3 3304 -5.542 -2.478 -10.112 1.00 0.00 WT1 O ATOM 12107 H1 TIP3 3304 -17.526 6.413 -7.041 1.00 0.00 WT1 H ATOM 12108 H2 TIP3 3304 4.692 1.382 -8.978 1.00 0.00 WT1 H ATOM 12109 OH2 TIP3 3305 2.399 0.734 2.454 1.00 0.00 WT1 O ATOM 12110 H1 TIP3 3305 20.791 5.334 -13.875 1.00 0.00 WT1 H ATOM 12111 H2 TIP3 3305 -5.251 2.512 -5.322 1.00 0.00 WT1 H ATOM 12112 OH2 TIP3 3308 10.750 7.346 2.378 1.00 0.00 WT1 O ATOM 12113 H1 TIP3 3308 7.641 -3.125 14.280 1.00 0.00 WT1 H ATOM 12114 H2 TIP3 3308 9.106 -10.446 9.114 1.00 0.00 WT1 H ATOM 12115 OH2 TIP3 3309 3.699 2.816 -2.478 1.00 0.00 WT1 O ATOM 12116 H1 TIP3 3309 20.209 14.126 -7.836 1.00 0.00 WT1 H ATOM 12117 H2 TIP3 3309 -0.410 23.099 15.202 1.00 0.00 WT1 H ATOM 12118 OH2 TIP3 3310 0.217 -1.142 0.160 1.00 0.00 WT1 O ATOM 12119 H1 TIP3 3310 7.623 -10.207 5.700 1.00 0.00 WT1 H ATOM 12120 H2 TIP3 3310 3.361 0.642 0.588 1.00 0.00 WT1 H ATOM 12121 OH2 TIP3 3313 1.307 -8.314 0.610 1.00 0.00 WT1 O ATOM 12122 H1 TIP3 3313 8.066 -15.588 11.677 1.00 0.00 WT1 H ATOM 12123 H2 TIP3 3313 -8.530 -7.159 1.915 1.00 0.00 WT1 H ATOM 12124 OH2 TIP3 3316 -0.172 9.637 3.200 1.00 0.00 WT1 O ATOM 12125 H1 TIP3 3316 -25.040 11.909 0.154 1.00 0.00 WT1 H ATOM 12126 H2 TIP3 3316 4.592 13.604 8.181 1.00 0.00 WT1 H ATOM 12127 OH2 TIP3 3317 0.054 -0.554 -2.773 1.00 0.00 WT1 O ATOM 12128 H1 TIP3 3317 12.540 -8.716 8.926 1.00 0.00 WT1 H ATOM 12129 H2 TIP3 3317 -20.816 0.988 -34.432 1.00 0.00 WT1 H ATOM 12130 OH2 TIP3 3319 5.320 -4.712 -2.485 1.00 0.00 WT1 O ATOM 12131 H1 TIP3 3319 3.428 -12.704 -3.998 1.00 0.00 WT1 H ATOM 12132 H2 TIP3 3319 7.102 6.408 -0.742 1.00 0.00 WT1 H ATOM 12133 OH2 TIP3 3320 -1.844 7.012 -3.640 1.00 0.00 WT1 O ATOM 12134 H1 TIP3 3320 -7.518 9.781 -4.555 1.00 0.00 WT1 H ATOM 12135 H2 TIP3 3320 3.677 4.301 -1.075 1.00 0.00 WT1 H ATOM 12136 OH2 TIP3 3321 -1.469 -1.582 -4.712 1.00 0.00 WT1 O ATOM 12137 H1 TIP3 3321 6.159 -10.986 6.678 1.00 0.00 WT1 H ATOM 12138 H2 TIP3 3321 -0.616 3.873 -8.020 1.00 0.00 WT1 H ATOM 12139 OH2 TIP3 3322 -4.653 1.899 -9.363 1.00 0.00 WT1 O ATOM 12140 H1 TIP3 3322 40.496 -8.182 17.482 1.00 0.00 WT1 H ATOM 12141 H2 TIP3 3322 -29.250 23.800 -30.331 1.00 0.00 WT1 H ATOM 12142 OH2 TIP3 3323 0.365 -0.429 -5.156 1.00 0.00 WT1 O ATOM 12143 H1 TIP3 3323 -3.562 3.519 -0.018 1.00 0.00 WT1 H ATOM 12144 H2 TIP3 3323 2.360 -7.541 -1.283 1.00 0.00 WT1 H ATOM 12145 OH2 TIP3 3324 -0.209 3.043 -3.523 1.00 0.00 WT1 O ATOM 12146 H1 TIP3 3324 14.013 17.759 -15.997 1.00 0.00 WT1 H ATOM 12147 H2 TIP3 3324 -16.734 -7.411 6.087 1.00 0.00 WT1 H ATOM 12148 OH2 TIP3 3325 -1.831 -5.541 -4.258 1.00 0.00 WT1 O ATOM 12149 H1 TIP3 3325 -13.908 -23.456 -5.651 1.00 0.00 WT1 H ATOM 12150 H2 TIP3 3325 19.766 -3.907 -12.609 1.00 0.00 WT1 H ATOM 12151 OH2 TIP3 3326 2.087 -0.176 -1.547 1.00 0.00 WT1 O ATOM 12152 H1 TIP3 3326 1.839 1.155 -6.862 1.00 0.00 WT1 H ATOM 12153 H2 TIP3 3326 -11.067 1.688 32.599 1.00 0.00 WT1 H ATOM 12154 OH2 TIP3 3327 -0.826 -0.635 -1.524 1.00 0.00 WT1 O ATOM 12155 H1 TIP3 3327 -10.564 11.207 -9.401 1.00 0.00 WT1 H ATOM 12156 H2 TIP3 3327 19.661 -5.466 -9.913 1.00 0.00 WT1 H ATOM 12157 OH2 TIP3 3329 -1.833 -7.571 -4.858 1.00 0.00 WT1 O ATOM 12158 H1 TIP3 3329 5.156 -4.532 -8.777 1.00 0.00 WT1 H ATOM 12159 H2 TIP3 3329 18.479 -2.779 -12.094 1.00 0.00 WT1 H ATOM 12160 OH2 TIP3 3332 2.572 2.769 -1.429 1.00 0.00 WT1 O ATOM 12161 H1 TIP3 3332 -21.337 -14.274 7.387 1.00 0.00 WT1 H ATOM 12162 H2 TIP3 3332 3.889 11.875 -21.582 1.00 0.00 WT1 H ATOM 12163 OH2 TIP3 3334 3.923 -5.248 7.438 1.00 0.00 WT1 O ATOM 12164 H1 TIP3 3334 3.808 11.231 18.909 1.00 0.00 WT1 H ATOM 12165 H2 TIP3 3334 -3.681 1.677 -0.056 1.00 0.00 WT1 H ATOM 12166 OH2 TIP3 3336 1.392 1.173 -9.316 1.00 0.00 WT1 O ATOM 12167 H1 TIP3 3336 3.784 -1.494 -13.251 1.00 0.00 WT1 H ATOM 12168 H2 TIP3 3336 5.465 4.807 -6.964 1.00 0.00 WT1 H ATOM 12169 OH2 TIP3 3337 3.474 -2.691 5.201 1.00 0.00 WT1 O ATOM 12170 H1 TIP3 3337 -1.733 9.627 -3.113 1.00 0.00 WT1 H ATOM 12171 H2 TIP3 3337 1.444 -14.473 14.645 1.00 0.00 WT1 H ATOM 12172 OH2 TIP3 3338 6.415 -0.472 -3.350 1.00 0.00 WT1 O ATOM 12173 H1 TIP3 3338 8.151 -1.782 17.574 1.00 0.00 WT1 H ATOM 12174 H2 TIP3 3338 18.085 -16.445 -1.568 1.00 0.00 WT1 H ATOM 12175 OH2 TIP3 3339 3.630 -1.762 -8.500 1.00 0.00 WT1 O ATOM 12176 H1 TIP3 3339 -0.671 2.236 -5.459 1.00 0.00 WT1 H ATOM 12177 H2 TIP3 3339 4.486 -5.990 -2.340 1.00 0.00 WT1 H ATOM 12178 OH2 TIP3 3341 0.397 2.372 -0.425 1.00 0.00 WT1 O ATOM 12179 H1 TIP3 3341 6.714 21.113 6.675 1.00 0.00 WT1 H ATOM 12180 H2 TIP3 3341 14.273 -2.503 -7.408 1.00 0.00 WT1 H ATOM 12181 OH2 TIP3 3342 1.753 2.194 -3.883 1.00 0.00 WT1 O ATOM 12182 H1 TIP3 3342 9.346 14.141 2.224 1.00 0.00 WT1 H ATOM 12183 H2 TIP3 3342 10.221 -11.781 -0.510 1.00 0.00 WT1 H ATOM 12184 OH2 TIP3 3343 -3.311 -2.874 4.836 1.00 0.00 WT1 O ATOM 12185 H1 TIP3 3343 17.550 13.821 -3.120 1.00 0.00 WT1 H ATOM 12186 H2 TIP3 3343 3.401 -21.137 -2.264 1.00 0.00 WT1 H ATOM 12187 OH2 TIP3 3344 2.812 1.542 -0.772 1.00 0.00 WT1 O ATOM 12188 H1 TIP3 3344 0.211 9.144 -22.341 1.00 0.00 WT1 H ATOM 12189 H2 TIP3 3344 -8.937 -15.580 -2.693 1.00 0.00 WT1 H ATOM 12190 OH2 TIP3 3345 3.756 1.320 -8.924 1.00 0.00 WT1 O ATOM 12191 H1 TIP3 3345 12.494 5.525 9.578 1.00 0.00 WT1 H ATOM 12192 H2 TIP3 3345 4.748 3.192 -11.608 1.00 0.00 WT1 H ATOM 12193 OH2 TIP3 3347 -8.804 -0.670 1.585 1.00 0.00 WT1 O ATOM 12194 H1 TIP3 3347 -0.706 4.412 -5.815 1.00 0.00 WT1 H ATOM 12195 H2 TIP3 3347 8.410 7.151 -2.290 1.00 0.00 WT1 H ATOM 12196 OH2 TIP3 3348 4.646 -2.762 3.894 1.00 0.00 WT1 O ATOM 12197 H1 TIP3 3348 11.066 16.829 -0.079 1.00 0.00 WT1 H ATOM 12198 H2 TIP3 3348 -5.565 4.982 18.742 1.00 0.00 WT1 H ATOM 12199 OH2 TIP3 3349 -9.490 2.864 -1.496 1.00 0.00 WT1 O ATOM 12200 H1 TIP3 3349 -0.957 -23.238 -13.373 1.00 0.00 WT1 H ATOM 12201 H2 TIP3 3349 -7.391 2.464 3.567 1.00 0.00 WT1 H ATOM 12202 OH2 TIP3 3350 6.201 -0.822 1.907 1.00 0.00 WT1 O ATOM 12203 H1 TIP3 3350 7.247 22.729 -8.505 1.00 0.00 WT1 H ATOM 12204 H2 TIP3 3350 -0.083 0.579 9.240 1.00 0.00 WT1 H ATOM 12205 OH2 TIP3 3355 -0.515 -1.655 5.970 1.00 0.00 WT1 O ATOM 12206 H1 TIP3 3355 2.964 -4.587 -5.724 1.00 0.00 WT1 H ATOM 12207 H2 TIP3 3355 -0.977 15.756 17.602 1.00 0.00 WT1 H ATOM 12208 OH2 TIP3 3356 -2.728 -5.796 0.780 1.00 0.00 WT1 O ATOM 12209 H1 TIP3 3356 15.382 -5.738 -5.056 1.00 0.00 WT1 H ATOM 12210 H2 TIP3 3356 -9.537 11.504 3.032 1.00 0.00 WT1 H ATOM 12211 OH2 TIP3 3358 -3.467 0.965 0.894 1.00 0.00 WT1 O ATOM 12212 H1 TIP3 3358 16.958 -7.049 -6.662 1.00 0.00 WT1 H ATOM 12213 H2 TIP3 3358 14.358 -1.609 17.663 1.00 0.00 WT1 H ATOM 12214 OH2 TIP3 3359 10.556 6.489 0.373 1.00 0.00 WT1 O ATOM 12215 H1 TIP3 3359 -7.964 14.920 -26.015 1.00 0.00 WT1 H ATOM 12216 H2 TIP3 3359 6.275 -1.589 -5.253 1.00 0.00 WT1 H ATOM 12217 OH2 TIP3 3360 8.055 -5.287 -1.276 1.00 0.00 WT1 O ATOM 12218 H1 TIP3 3360 -10.589 6.228 -0.511 1.00 0.00 WT1 H ATOM 12219 H2 TIP3 3360 11.524 0.760 -5.113 1.00 0.00 WT1 H ATOM 12220 OH2 TIP3 3361 -6.034 -3.221 -0.854 1.00 0.00 WT1 O ATOM 12221 H1 TIP3 3361 19.827 6.649 6.916 1.00 0.00 WT1 H ATOM 12222 H2 TIP3 3361 22.920 10.616 -1.056 1.00 0.00 WT1 H ATOM 12223 OH2 TIP3 3362 0.775 5.263 2.549 1.00 0.00 WT1 O ATOM 12224 H1 TIP3 3362 -3.494 -12.245 0.179 1.00 0.00 WT1 H ATOM 12225 H2 TIP3 3362 -0.376 -12.840 4.563 1.00 0.00 WT1 H ATOM 12226 OH2 TIP3 3363 1.904 3.175 1.435 1.00 0.00 WT1 O ATOM 12227 H1 TIP3 3363 -12.921 -6.003 9.330 1.00 0.00 WT1 H ATOM 12228 H2 TIP3 3363 -10.578 4.330 10.467 1.00 0.00 WT1 H ATOM 12229 OH2 TIP3 3364 4.617 3.137 2.542 1.00 0.00 WT1 O ATOM 12230 H1 TIP3 3364 5.207 5.254 6.449 1.00 0.00 WT1 H ATOM 12231 H2 TIP3 3364 2.865 -0.026 -1.870 1.00 0.00 WT1 H ATOM 12232 OH2 TIP3 3365 -8.198 7.614 3.218 1.00 0.00 WT1 O ATOM 12233 H1 TIP3 3365 2.171 3.129 -3.468 1.00 0.00 WT1 H ATOM 12234 H2 TIP3 3365 -7.915 5.828 8.520 1.00 0.00 WT1 H ATOM 12235 OH2 TIP3 3366 2.829 -0.209 -2.933 1.00 0.00 WT1 O ATOM 12236 H1 TIP3 3366 8.205 -2.303 -5.665 1.00 0.00 WT1 H ATOM 12237 H2 TIP3 3366 -1.211 -3.187 4.256 1.00 0.00 WT1 H ATOM 12238 OH2 TIP3 3367 -2.860 -6.401 -4.030 1.00 0.00 WT1 O ATOM 12239 H1 TIP3 3367 -30.734 -23.816 -4.364 1.00 0.00 WT1 H ATOM 12240 H2 TIP3 3367 -1.930 13.393 19.354 1.00 0.00 WT1 H ATOM 12241 OH2 TIP3 3368 -2.238 -0.116 -3.813 1.00 0.00 WT1 O ATOM 12242 H1 TIP3 3368 0.037 -0.863 1.818 1.00 0.00 WT1 H ATOM 12243 H2 TIP3 3368 -14.790 -10.660 4.014 1.00 0.00 WT1 H ATOM 12244 OH2 TIP3 3370 2.125 -2.408 -2.185 1.00 0.00 WT1 O ATOM 12245 H1 TIP3 3370 5.947 12.378 19.001 1.00 0.00 WT1 H ATOM 12246 H2 TIP3 3370 -2.753 11.892 7.915 1.00 0.00 WT1 H ATOM 12247 OH2 TIP3 3371 1.470 -3.539 -2.647 1.00 0.00 WT1 O ATOM 12248 H1 TIP3 3371 -1.312 0.622 -16.276 1.00 0.00 WT1 H ATOM 12249 H2 TIP3 3371 -41.303 -31.797 30.419 1.00 0.00 WT1 H ATOM 12250 OH2 TIP3 3373 -0.443 -3.906 -0.852 1.00 0.00 WT1 O ATOM 12251 H1 TIP3 3373 4.711 0.285 7.368 1.00 0.00 WT1 H ATOM 12252 H2 TIP3 3373 -6.299 -8.386 -9.262 1.00 0.00 WT1 H ATOM 12253 OH2 TIP3 3377 -3.874 10.449 -4.010 1.00 0.00 WT1 O ATOM 12254 H1 TIP3 3377 2.764 13.082 -6.753 1.00 0.00 WT1 H ATOM 12255 H2 TIP3 3377 8.044 8.980 -7.368 1.00 0.00 WT1 H ATOM 12256 OH2 TIP3 3379 -3.517 -3.370 -3.583 1.00 0.00 WT1 O ATOM 12257 H1 TIP3 3379 -13.237 -2.046 -13.336 1.00 0.00 WT1 H ATOM 12258 H2 TIP3 3379 20.766 0.298 6.168 1.00 0.00 WT1 H ATOM 12259 OH2 TIP3 3380 -4.900 9.324 1.706 1.00 0.00 WT1 O ATOM 12260 H1 TIP3 3380 4.859 9.580 -1.256 1.00 0.00 WT1 H ATOM 12261 H2 TIP3 3380 13.136 8.304 24.832 1.00 0.00 WT1 H ATOM 12262 OH2 TIP3 3381 0.844 0.549 -1.970 1.00 0.00 WT1 O ATOM 12263 H1 TIP3 3381 -1.154 -18.585 -21.412 1.00 0.00 WT1 H ATOM 12264 H2 TIP3 3381 3.724 -1.516 -6.673 1.00 0.00 WT1 H ATOM 12265 OH2 TIP3 3382 2.237 -4.773 3.199 1.00 0.00 WT1 O ATOM 12266 H1 TIP3 3382 -9.000 -10.706 11.093 1.00 0.00 WT1 H ATOM 12267 H2 TIP3 3382 19.683 -16.821 9.246 1.00 0.00 WT1 H ATOM 12268 OH2 TIP3 3383 -1.738 6.160 -3.261 1.00 0.00 WT1 O ATOM 12269 H1 TIP3 3383 2.458 10.776 -1.649 1.00 0.00 WT1 H ATOM 12270 H2 TIP3 3383 -16.327 1.211 9.253 1.00 0.00 WT1 H ATOM 12271 OH2 TIP3 3384 -0.010 1.227 7.042 1.00 0.00 WT1 O ATOM 12272 H1 TIP3 3384 -15.045 15.846 6.200 1.00 0.00 WT1 H ATOM 12273 H2 TIP3 3384 1.470 -8.190 -16.311 1.00 0.00 WT1 H ATOM 12274 OH2 TIP3 3385 4.014 -1.312 -7.798 1.00 0.00 WT1 O ATOM 12275 H1 TIP3 3385 3.281 -22.478 0.395 1.00 0.00 WT1 H ATOM 12276 H2 TIP3 3385 2.678 9.834 -12.015 1.00 0.00 WT1 H ATOM 12277 OH2 TIP3 3386 -1.410 6.467 0.127 1.00 0.00 WT1 O ATOM 12278 H1 TIP3 3386 5.553 -8.166 0.405 1.00 0.00 WT1 H ATOM 12279 H2 TIP3 3386 -11.397 2.422 11.803 1.00 0.00 WT1 H ATOM 12280 OH2 TIP3 3387 -9.153 0.560 3.036 1.00 0.00 WT1 O ATOM 12281 H1 TIP3 3387 -8.847 1.474 0.461 1.00 0.00 WT1 H ATOM 12282 H2 TIP3 3387 -8.433 0.068 3.059 1.00 0.00 WT1 H ATOM 12283 OH2 TIP3 3388 -2.685 5.245 -6.574 1.00 0.00 WT1 O ATOM 12284 H1 TIP3 3388 15.901 -3.656 38.418 1.00 0.00 WT1 H ATOM 12285 H2 TIP3 3388 9.558 6.199 14.805 1.00 0.00 WT1 H ATOM 12286 OH2 TIP3 3389 10.527 -4.842 -5.210 1.00 0.00 WT1 O ATOM 12287 H1 TIP3 3389 8.294 -13.904 2.033 1.00 0.00 WT1 H ATOM 12288 H2 TIP3 3389 3.141 20.283 -12.535 1.00 0.00 WT1 H ATOM 12289 OH2 TIP3 3390 -0.962 2.064 -2.754 1.00 0.00 WT1 O ATOM 12290 H1 TIP3 3390 -1.905 -12.410 -3.658 1.00 0.00 WT1 H ATOM 12291 H2 TIP3 3390 12.105 4.820 -2.763 1.00 0.00 WT1 H ATOM 12292 OH2 TIP3 3393 5.307 2.318 -4.586 1.00 0.00 WT1 O ATOM 12293 H1 TIP3 3393 1.133 -0.017 0.898 1.00 0.00 WT1 H ATOM 12294 H2 TIP3 3393 -16.341 2.980 0.048 1.00 0.00 WT1 H ATOM 12295 OH2 TIP3 3398 -1.818 2.482 1.760 1.00 0.00 WT1 O ATOM 12296 H1 TIP3 3398 4.295 -7.131 9.174 1.00 0.00 WT1 H ATOM 12297 H2 TIP3 3398 -1.026 -1.628 5.795 1.00 0.00 WT1 H ATOM 12298 OH2 TIP3 3401 1.316 -4.478 -2.540 1.00 0.00 WT1 O ATOM 12299 H1 TIP3 3401 14.657 6.223 -7.110 1.00 0.00 WT1 H ATOM 12300 H2 TIP3 3401 13.782 -17.374 -1.744 1.00 0.00 WT1 H ATOM 12301 OH2 TIP3 3402 -1.486 3.241 0.191 1.00 0.00 WT1 O ATOM 12302 H1 TIP3 3402 9.144 19.100 -13.486 1.00 0.00 WT1 H ATOM 12303 H2 TIP3 3402 -6.544 3.518 9.415 1.00 0.00 WT1 H ATOM 12304 OH2 TIP3 3404 -1.916 -1.657 -1.013 1.00 0.00 WT1 O ATOM 12305 H1 TIP3 3404 -6.192 4.874 28.207 1.00 0.00 WT1 H ATOM 12306 H2 TIP3 3404 32.345 10.403 -14.813 1.00 0.00 WT1 H ATOM 12307 OH2 TIP3 3405 3.282 4.719 -5.111 1.00 0.00 WT1 O ATOM 12308 H1 TIP3 3405 4.949 5.440 -4.797 1.00 0.00 WT1 H ATOM 12309 H2 TIP3 3405 3.018 5.735 -3.779 1.00 0.00 WT1 H ATOM 12310 OH2 TIP3 3406 -1.183 -6.201 2.448 1.00 0.00 WT1 O ATOM 12311 H1 TIP3 3406 -16.041 4.814 -11.148 1.00 0.00 WT1 H ATOM 12312 H2 TIP3 3406 3.119 4.571 17.372 1.00 0.00 WT1 H ATOM 12313 OH2 TIP3 3407 1.666 -1.938 -0.996 1.00 0.00 WT1 O ATOM 12314 H1 TIP3 3407 13.240 -6.197 -11.311 1.00 0.00 WT1 H ATOM 12315 H2 TIP3 3407 -3.196 -2.541 1.859 1.00 0.00 WT1 H ATOM 12316 OH2 TIP3 3408 -4.636 -8.058 5.637 1.00 0.00 WT1 O ATOM 12317 H1 TIP3 3408 -3.838 -19.674 5.683 1.00 0.00 WT1 H ATOM 12318 H2 TIP3 3408 4.056 1.926 6.411 1.00 0.00 WT1 H ATOM 12319 OH2 TIP3 3409 3.675 -1.624 -2.219 1.00 0.00 WT1 O ATOM 12320 H1 TIP3 3409 -4.085 -3.649 0.900 1.00 0.00 WT1 H ATOM 12321 H2 TIP3 3409 1.028 -2.312 -1.057 1.00 0.00 WT1 H ATOM 12322 OH2 TIP3 3410 4.094 -5.165 0.416 1.00 0.00 WT1 O ATOM 12323 H1 TIP3 3410 -1.295 7.698 -17.118 1.00 0.00 WT1 H ATOM 12324 H2 TIP3 3410 7.601 6.111 7.827 1.00 0.00 WT1 H ATOM 12325 OH2 TIP3 3411 0.892 -0.340 5.326 1.00 0.00 WT1 O ATOM 12326 H1 TIP3 3411 -2.895 6.033 4.293 1.00 0.00 WT1 H ATOM 12327 H2 TIP3 3411 -3.483 7.095 3.472 1.00 0.00 WT1 H ATOM 12328 OH2 TIP3 3412 -3.840 -0.142 0.640 1.00 0.00 WT1 O ATOM 12329 H1 TIP3 3412 4.569 0.528 -3.169 1.00 0.00 WT1 H ATOM 12330 H2 TIP3 3412 -8.193 8.532 16.177 1.00 0.00 WT1 H ATOM 12331 OH2 TIP3 3420 1.543 -3.743 2.285 1.00 0.00 WT1 O ATOM 12332 H1 TIP3 3420 -7.761 -14.592 1.051 1.00 0.00 WT1 H ATOM 12333 H2 TIP3 3420 23.501 -7.119 0.629 1.00 0.00 WT1 H ATOM 12334 OH2 TIP3 3421 -8.892 0.423 -2.183 1.00 0.00 WT1 O ATOM 12335 H1 TIP3 3421 -24.663 2.408 -6.565 1.00 0.00 WT1 H ATOM 12336 H2 TIP3 3421 11.056 4.617 8.917 1.00 0.00 WT1 H ATOM 12337 OH2 TIP3 3422 -5.179 3.151 6.692 1.00 0.00 WT1 O ATOM 12338 H1 TIP3 3422 -0.098 16.377 -1.721 1.00 0.00 WT1 H ATOM 12339 H2 TIP3 3422 -1.168 10.458 8.477 1.00 0.00 WT1 H ATOM 12340 OH2 TIP3 3423 -2.720 -1.810 -7.820 1.00 0.00 WT1 O ATOM 12341 H1 TIP3 3423 -1.909 -15.419 6.465 1.00 0.00 WT1 H ATOM 12342 H2 TIP3 3423 3.554 23.319 30.971 1.00 0.00 WT1 H ATOM 12343 OH2 TIP3 3424 -5.526 2.640 7.557 1.00 0.00 WT1 O ATOM 12344 H1 TIP3 3424 -12.284 -2.031 14.417 1.00 0.00 WT1 H ATOM 12345 H2 TIP3 3424 -0.458 2.275 13.252 1.00 0.00 WT1 H ATOM 12346 OH2 TIP3 3425 2.114 -2.862 -4.204 1.00 0.00 WT1 O ATOM 12347 H1 TIP3 3425 6.513 -16.257 -4.026 1.00 0.00 WT1 H ATOM 12348 H2 TIP3 3425 -16.709 11.609 -4.609 1.00 0.00 WT1 H ATOM 12349 OH2 TIP3 3426 5.897 1.932 3.066 1.00 0.00 WT1 O ATOM 12350 H1 TIP3 3426 1.744 -20.381 2.186 1.00 0.00 WT1 H ATOM 12351 H2 TIP3 3426 3.978 3.349 -23.766 1.00 0.00 WT1 H ATOM 12352 OH2 TIP3 3427 0.054 4.371 -6.623 1.00 0.00 WT1 O ATOM 12353 H1 TIP3 3427 0.470 10.313 5.429 1.00 0.00 WT1 H ATOM 12354 H2 TIP3 3427 14.478 0.032 -4.735 1.00 0.00 WT1 H ATOM 12355 OH2 TIP3 3428 6.543 -2.020 -0.790 1.00 0.00 WT1 O ATOM 12356 H1 TIP3 3428 -17.605 0.807 2.816 1.00 0.00 WT1 H ATOM 12357 H2 TIP3 3428 3.690 -8.419 -16.253 1.00 0.00 WT1 H ATOM 12358 OH2 TIP3 3429 -6.390 -0.747 0.404 1.00 0.00 WT1 O ATOM 12359 H1 TIP3 3429 9.949 14.247 -0.423 1.00 0.00 WT1 H ATOM 12360 H2 TIP3 3429 0.904 -11.058 -10.267 1.00 0.00 WT1 H ATOM 12361 OH2 TIP3 3430 -1.082 -3.093 6.071 1.00 0.00 WT1 O ATOM 12362 H1 TIP3 3430 3.158 -2.772 4.429 1.00 0.00 WT1 H ATOM 12363 H2 TIP3 3430 2.802 2.268 4.149 1.00 0.00 WT1 H ATOM 12364 OH2 TIP3 3431 1.762 0.054 -2.887 1.00 0.00 WT1 O ATOM 12365 H1 TIP3 3431 24.601 1.545 -0.408 1.00 0.00 WT1 H ATOM 12366 H2 TIP3 3431 -11.083 0.858 -2.981 1.00 0.00 WT1 H ATOM 12367 OH2 TIP3 3432 2.883 -0.950 7.518 1.00 0.00 WT1 O ATOM 12368 H1 TIP3 3432 4.095 -5.492 1.315 1.00 0.00 WT1 H ATOM 12369 H2 TIP3 3432 9.818 3.194 12.968 1.00 0.00 WT1 H ATOM 12370 OH2 TIP3 3433 2.014 -2.497 -2.638 1.00 0.00 WT1 O ATOM 12371 H1 TIP3 3433 3.124 -13.442 -5.623 1.00 0.00 WT1 H ATOM 12372 H2 TIP3 3433 -13.607 3.091 6.279 1.00 0.00 WT1 H ATOM 12373 OH2 TIP3 3434 -0.010 -2.813 -3.639 1.00 0.00 WT1 O ATOM 12374 H1 TIP3 3434 6.816 7.727 6.035 1.00 0.00 WT1 H ATOM 12375 H2 TIP3 3434 -9.026 -1.990 4.960 1.00 0.00 WT1 H ATOM 12376 OH2 TIP3 3436 0.863 1.397 3.922 1.00 0.00 WT1 O ATOM 12377 H1 TIP3 3436 -4.890 -1.077 -1.314 1.00 0.00 WT1 H ATOM 12378 H2 TIP3 3436 -0.602 12.876 16.122 1.00 0.00 WT1 H ATOM 12379 OH2 TIP3 3437 0.315 -1.782 5.361 1.00 0.00 WT1 O ATOM 12380 H1 TIP3 3437 19.663 5.461 4.774 1.00 0.00 WT1 H ATOM 12381 H2 TIP3 3437 1.535 -10.618 14.986 1.00 0.00 WT1 H ATOM 12382 OH2 TIP3 3438 1.749 6.703 -0.571 1.00 0.00 WT1 O ATOM 12383 H1 TIP3 3438 -0.499 12.135 14.436 1.00 0.00 WT1 H ATOM 12384 H2 TIP3 3438 33.933 -11.773 -30.459 1.00 0.00 WT1 H ATOM 12385 OH2 TIP3 3439 2.626 -2.418 3.489 1.00 0.00 WT1 O ATOM 12386 H1 TIP3 3439 -7.817 5.427 -2.903 1.00 0.00 WT1 H ATOM 12387 H2 TIP3 3439 -5.145 -3.675 6.928 1.00 0.00 WT1 H ATOM 12388 OH2 TIP3 3440 5.480 -3.370 -1.243 1.00 0.00 WT1 O ATOM 12389 H1 TIP3 3440 7.028 1.862 12.646 1.00 0.00 WT1 H ATOM 12390 H2 TIP3 3440 16.853 -11.677 35.494 1.00 0.00 WT1 H ATOM 12391 OH2 TIP3 3441 -3.506 0.890 -5.352 1.00 0.00 WT1 O ATOM 12392 H1 TIP3 3441 5.610 5.657 -14.936 1.00 0.00 WT1 H ATOM 12393 H2 TIP3 3441 4.411 -21.989 -12.282 1.00 0.00 WT1 H ATOM 12394 OH2 TIP3 3442 3.309 0.139 -2.730 1.00 0.00 WT1 O ATOM 12395 H1 TIP3 3442 4.554 -23.158 9.086 1.00 0.00 WT1 H ATOM 12396 H2 TIP3 3442 12.079 5.125 -7.893 1.00 0.00 WT1 H ATOM 12397 OH2 TIP3 3444 5.747 3.360 3.622 1.00 0.00 WT1 O ATOM 12398 H1 TIP3 3444 -0.603 -43.740 30.147 1.00 0.00 WT1 H ATOM 12399 H2 TIP3 3444 7.420 -5.322 -3.950 1.00 0.00 WT1 H ATOM 12400 OH2 TIP3 3445 3.477 3.396 -2.662 1.00 0.00 WT1 O ATOM 12401 H1 TIP3 3445 -0.905 -5.079 -2.120 1.00 0.00 WT1 H ATOM 12402 H2 TIP3 3445 0.788 3.358 -2.463 1.00 0.00 WT1 H ATOM 12403 OH2 TIP3 3446 -0.180 -0.141 -2.318 1.00 0.00 WT1 O ATOM 12404 H1 TIP3 3446 12.494 18.747 -5.931 1.00 0.00 WT1 H ATOM 12405 H2 TIP3 3446 3.428 7.813 -3.464 1.00 0.00 WT1 H ATOM 12406 OH2 TIP3 3447 -0.812 -1.568 -4.149 1.00 0.00 WT1 O ATOM 12407 H1 TIP3 3447 -39.434 -7.529 -7.977 1.00 0.00 WT1 H ATOM 12408 H2 TIP3 3447 7.691 15.896 -4.464 1.00 0.00 WT1 H ATOM 12409 OH2 TIP3 3448 2.509 -3.929 -6.560 1.00 0.00 WT1 O ATOM 12410 H1 TIP3 3448 3.741 8.626 -6.022 1.00 0.00 WT1 H ATOM 12411 H2 TIP3 3448 9.531 -2.220 -6.285 1.00 0.00 WT1 H ATOM 12412 OH2 TIP3 3449 -7.197 2.057 -1.543 1.00 0.00 WT1 O ATOM 12413 H1 TIP3 3449 -16.219 -1.528 5.798 1.00 0.00 WT1 H ATOM 12414 H2 TIP3 3449 10.610 -4.318 -5.302 1.00 0.00 WT1 H ATOM 12415 OH2 TIP3 3450 -0.743 -1.659 5.543 1.00 0.00 WT1 O ATOM 12416 H1 TIP3 3450 -11.393 31.750 -1.366 1.00 0.00 WT1 H ATOM 12417 H2 TIP3 3450 6.938 -13.170 -21.845 1.00 0.00 WT1 H ATOM 12418 OH2 TIP3 3451 0.374 -2.372 -1.094 1.00 0.00 WT1 O ATOM 12419 H1 TIP3 3451 2.135 -4.426 2.728 1.00 0.00 WT1 H ATOM 12420 H2 TIP3 3451 -30.453 9.358 -13.079 1.00 0.00 WT1 H ATOM 12421 OH2 TIP3 3452 -0.714 2.656 -1.371 1.00 0.00 WT1 O ATOM 12422 H1 TIP3 3452 2.843 4.022 -1.880 1.00 0.00 WT1 H ATOM 12423 H2 TIP3 3452 6.427 6.704 -10.182 1.00 0.00 WT1 H ATOM 12424 OH2 TIP3 3456 -0.365 -1.747 3.724 1.00 0.00 WT1 O ATOM 12425 H1 TIP3 3456 5.348 -3.232 4.029 1.00 0.00 WT1 H ATOM 12426 H2 TIP3 3456 -7.226 3.743 5.691 1.00 0.00 WT1 H ATOM 12427 OH2 TIP3 3459 -1.858 -2.358 3.676 1.00 0.00 WT1 O ATOM 12428 H1 TIP3 3459 -0.416 1.164 -3.353 1.00 0.00 WT1 H ATOM 12429 H2 TIP3 3459 -0.963 -0.464 -0.153 1.00 0.00 WT1 H ATOM 12430 OH2 TIP3 3460 -3.024 1.913 2.126 1.00 0.00 WT1 O ATOM 12431 H1 TIP3 3460 12.801 12.557 -6.428 1.00 0.00 WT1 H ATOM 12432 H2 TIP3 3460 -9.367 -0.829 -14.038 1.00 0.00 WT1 H ATOM 12433 OH2 TIP3 3461 -2.788 -0.660 -0.728 1.00 0.00 WT1 O ATOM 12434 H1 TIP3 3461 -8.162 -1.883 7.344 1.00 0.00 WT1 H ATOM 12435 H2 TIP3 3461 2.814 7.196 -5.673 1.00 0.00 WT1 H ATOM 12436 OH2 TIP3 3462 -0.486 4.832 3.805 1.00 0.00 WT1 O ATOM 12437 H1 TIP3 3462 13.429 15.420 -3.866 1.00 0.00 WT1 H ATOM 12438 H2 TIP3 3462 0.303 -3.876 13.035 1.00 0.00 WT1 H ATOM 12439 OH2 TIP3 3465 4.289 10.095 -2.537 1.00 0.00 WT1 O ATOM 12440 H1 TIP3 3465 13.419 1.718 17.587 1.00 0.00 WT1 H ATOM 12441 H2 TIP3 3465 8.711 -4.220 17.609 1.00 0.00 WT1 H ATOM 12442 OH2 TIP3 3466 6.374 1.306 0.408 1.00 0.00 WT1 O ATOM 12443 H1 TIP3 3466 -4.562 -1.030 -18.284 1.00 0.00 WT1 H ATOM 12444 H2 TIP3 3466 12.971 -20.806 15.769 1.00 0.00 WT1 H ATOM 12445 OH2 TIP3 3467 3.482 2.732 -3.937 1.00 0.00 WT1 O ATOM 12446 H1 TIP3 3467 -20.939 12.617 -29.535 1.00 0.00 WT1 H ATOM 12447 H2 TIP3 3467 -12.508 -0.679 -17.153 1.00 0.00 WT1 H ATOM 12448 OH2 TIP3 3468 0.015 -0.043 -1.680 1.00 0.00 WT1 O ATOM 12449 H1 TIP3 3468 12.421 6.400 -12.673 1.00 0.00 WT1 H ATOM 12450 H2 TIP3 3468 2.534 2.138 -10.101 1.00 0.00 WT1 H ATOM 12451 OH2 TIP3 3469 -1.384 2.299 -1.177 1.00 0.00 WT1 O ATOM 12452 H1 TIP3 3469 2.869 -4.814 17.415 1.00 0.00 WT1 H ATOM 12453 H2 TIP3 3469 -9.598 -15.329 16.330 1.00 0.00 WT1 H ATOM 12454 OH2 TIP3 3470 -3.093 1.570 0.621 1.00 0.00 WT1 O ATOM 12455 H1 TIP3 3470 -0.591 -6.766 -0.440 1.00 0.00 WT1 H ATOM 12456 H2 TIP3 3470 -14.147 24.225 3.791 1.00 0.00 WT1 H ATOM 12457 OH2 TIP3 3471 0.034 2.457 0.895 1.00 0.00 WT1 O ATOM 12458 H1 TIP3 3471 6.415 18.378 -11.715 1.00 0.00 WT1 H ATOM 12459 H2 TIP3 3471 -19.990 13.176 9.378 1.00 0.00 WT1 H ATOM 12460 OH2 TIP3 3472 -6.544 4.874 -0.946 1.00 0.00 WT1 O ATOM 12461 H1 TIP3 3472 10.973 5.556 -0.737 1.00 0.00 WT1 H ATOM 12462 H2 TIP3 3472 4.153 7.392 -3.367 1.00 0.00 WT1 H ATOM 12463 OH2 TIP3 3473 4.848 -5.695 6.228 1.00 0.00 WT1 O ATOM 12464 H1 TIP3 3473 0.114 -7.809 13.768 1.00 0.00 WT1 H ATOM 12465 H2 TIP3 3473 14.771 -6.715 5.057 1.00 0.00 WT1 H ATOM 12466 OH2 TIP3 3474 -4.896 0.723 -0.590 1.00 0.00 WT1 O ATOM 12467 H1 TIP3 3474 -9.025 -4.213 -0.582 1.00 0.00 WT1 H ATOM 12468 H2 TIP3 3474 -15.333 -11.601 -0.585 1.00 0.00 WT1 H ATOM 12469 OH2 TIP3 3475 9.521 3.765 -5.721 1.00 0.00 WT1 O ATOM 12470 H1 TIP3 3475 23.502 -2.644 -2.928 1.00 0.00 WT1 H ATOM 12471 H2 TIP3 3475 6.986 10.383 7.566 1.00 0.00 WT1 H ATOM 12472 OH2 TIP3 3476 4.352 2.173 -0.485 1.00 0.00 WT1 O ATOM 12473 H1 TIP3 3476 0.935 -9.762 -7.458 1.00 0.00 WT1 H ATOM 12474 H2 TIP3 3476 3.793 2.497 -5.399 1.00 0.00 WT1 H ATOM 12475 OH2 TIP3 3481 -2.292 -0.453 -6.603 1.00 0.00 WT1 O ATOM 12476 H1 TIP3 3481 -1.993 -1.230 9.896 1.00 0.00 WT1 H ATOM 12477 H2 TIP3 3481 -3.141 -4.041 9.837 1.00 0.00 WT1 H ATOM 12478 OH2 TIP3 3482 -5.473 2.994 0.390 1.00 0.00 WT1 O ATOM 12479 H1 TIP3 3482 14.125 7.969 13.942 1.00 0.00 WT1 H ATOM 12480 H2 TIP3 3482 -10.641 1.267 -5.625 1.00 0.00 WT1 H ATOM 12481 OH2 TIP3 3483 0.533 -5.331 1.974 1.00 0.00 WT1 O ATOM 12482 H1 TIP3 3483 -2.786 -4.692 1.199 1.00 0.00 WT1 H ATOM 12483 H2 TIP3 3483 1.806 -4.123 2.234 1.00 0.00 WT1 H ATOM 12484 OH2 TIP3 3484 -0.906 1.944 6.048 1.00 0.00 WT1 O ATOM 12485 H1 TIP3 3484 -2.131 13.676 0.588 1.00 0.00 WT1 H ATOM 12486 H2 TIP3 3484 -17.180 -1.188 -7.005 1.00 0.00 WT1 H ATOM 12487 OH2 TIP3 3485 4.274 2.031 -7.220 1.00 0.00 WT1 O ATOM 12488 H1 TIP3 3485 -9.844 -5.585 3.994 1.00 0.00 WT1 H ATOM 12489 H2 TIP3 3485 18.779 8.062 -15.296 1.00 0.00 WT1 H ATOM 12490 OH2 TIP3 3486 -5.610 -4.950 0.324 1.00 0.00 WT1 O ATOM 12491 H1 TIP3 3486 -7.390 9.655 7.327 1.00 0.00 WT1 H ATOM 12492 H2 TIP3 3486 -2.642 -14.817 -3.983 1.00 0.00 WT1 H ATOM 12493 OH2 TIP3 3487 -1.851 -2.006 -0.374 1.00 0.00 WT1 O ATOM 12494 H1 TIP3 3487 -0.136 -3.204 -25.781 1.00 0.00 WT1 H ATOM 12495 H2 TIP3 3487 6.378 16.128 -4.137 1.00 0.00 WT1 H ATOM 12496 OH2 TIP3 3488 6.304 -5.337 0.826 1.00 0.00 WT1 O ATOM 12497 H1 TIP3 3488 -7.946 -5.083 29.019 1.00 0.00 WT1 H ATOM 12498 H2 TIP3 3488 1.715 2.485 -13.262 1.00 0.00 WT1 H ATOM 12499 OH2 TIP3 3489 0.450 4.413 0.861 1.00 0.00 WT1 O ATOM 12500 H1 TIP3 3489 -15.439 19.984 19.401 1.00 0.00 WT1 H ATOM 12501 H2 TIP3 3489 25.520 -3.842 -1.661 1.00 0.00 WT1 H ATOM 12502 OH2 TIP3 3490 3.622 -0.465 -3.353 1.00 0.00 WT1 O ATOM 12503 H1 TIP3 3490 2.495 8.534 14.540 1.00 0.00 WT1 H ATOM 12504 H2 TIP3 3490 14.946 3.320 4.990 1.00 0.00 WT1 H ATOM 12505 OH2 TIP3 3491 7.067 -5.231 0.519 1.00 0.00 WT1 O ATOM 12506 H1 TIP3 3491 7.857 -4.797 4.916 1.00 0.00 WT1 H ATOM 12507 H2 TIP3 3491 14.436 7.759 -14.553 1.00 0.00 WT1 H ATOM 12508 OH2 TIP3 3492 1.493 2.707 -2.272 1.00 0.00 WT1 O ATOM 12509 H1 TIP3 3492 -3.284 5.057 15.249 1.00 0.00 WT1 H ATOM 12510 H2 TIP3 3492 1.612 2.918 -1.057 1.00 0.00 WT1 H ATOM 12511 OH2 TIP3 3494 2.177 2.087 5.311 1.00 0.00 WT1 O ATOM 12512 H1 TIP3 3494 7.074 14.112 5.546 1.00 0.00 WT1 H ATOM 12513 H2 TIP3 3494 1.839 -16.937 -7.893 1.00 0.00 WT1 H ATOM 12514 OH2 TIP3 3495 0.766 -2.665 6.201 1.00 0.00 WT1 O ATOM 12515 H1 TIP3 3495 -11.759 6.081 1.078 1.00 0.00 WT1 H ATOM 12516 H2 TIP3 3495 13.299 0.061 -2.898 1.00 0.00 WT1 H ATOM 12517 OH2 TIP3 3496 -5.788 0.338 2.783 1.00 0.00 WT1 O ATOM 12518 H1 TIP3 3496 -9.624 -1.172 1.365 1.00 0.00 WT1 H ATOM 12519 H2 TIP3 3496 0.455 -3.064 -10.714 1.00 0.00 WT1 H ATOM 12520 OH2 TIP3 3497 3.230 -0.430 0.556 1.00 0.00 WT1 O ATOM 12521 H1 TIP3 3497 -0.828 2.718 2.699 1.00 0.00 WT1 H ATOM 12522 H2 TIP3 3497 17.194 16.923 5.621 1.00 0.00 WT1 H ATOM 12523 OH2 TIP3 3501 -4.569 -4.212 -1.315 1.00 0.00 WT1 O ATOM 12524 H1 TIP3 3501 0.198 15.402 4.097 1.00 0.00 WT1 H ATOM 12525 H2 TIP3 3501 -1.313 15.143 6.195 1.00 0.00 WT1 H ATOM 12526 OH2 TIP3 3502 7.387 2.562 -2.000 1.00 0.00 WT1 O ATOM 12527 H1 TIP3 3502 -5.781 -9.176 12.286 1.00 0.00 WT1 H ATOM 12528 H2 TIP3 3502 16.369 -16.595 2.714 1.00 0.00 WT1 H ATOM 12529 OH2 TIP3 3504 -1.573 0.057 -2.299 1.00 0.00 WT1 O ATOM 12530 H1 TIP3 3504 -3.149 8.885 4.610 1.00 0.00 WT1 H ATOM 12531 H2 TIP3 3504 -6.841 9.395 -19.848 1.00 0.00 WT1 H ATOM 12532 OH2 TIP3 3506 -5.190 -0.771 7.748 1.00 0.00 WT1 O ATOM 12533 H1 TIP3 3506 -15.381 -15.263 -1.096 1.00 0.00 WT1 H ATOM 12534 H2 TIP3 3506 -8.982 -8.679 -9.434 1.00 0.00 WT1 H ATOM 12535 OH2 TIP3 3507 -4.695 -6.945 2.808 1.00 0.00 WT1 O ATOM 12536 H1 TIP3 3507 -0.353 -19.546 -2.313 1.00 0.00 WT1 H ATOM 12537 H2 TIP3 3507 -2.844 -14.981 6.689 1.00 0.00 WT1 H ATOM 12538 OH2 TIP3 3508 3.523 7.004 8.240 1.00 0.00 WT1 O ATOM 12539 H1 TIP3 3508 14.962 4.577 -2.851 1.00 0.00 WT1 H ATOM 12540 H2 TIP3 3508 -1.392 -3.844 9.272 1.00 0.00 WT1 H ATOM 12541 OH2 TIP3 3509 -6.925 0.622 2.945 1.00 0.00 WT1 O ATOM 12542 H1 TIP3 3509 -2.043 13.034 21.108 1.00 0.00 WT1 H ATOM 12543 H2 TIP3 3509 -13.231 9.402 8.925 1.00 0.00 WT1 H ATOM 12544 OH2 TIP3 3510 -3.911 -1.674 -4.008 1.00 0.00 WT1 O ATOM 12545 H1 TIP3 3510 17.380 -2.246 -4.375 1.00 0.00 WT1 H ATOM 12546 H2 TIP3 3510 17.620 -13.678 -17.818 1.00 0.00 WT1 H ATOM 12547 OH2 TIP3 3511 4.856 -0.873 -5.643 1.00 0.00 WT1 O ATOM 12548 H1 TIP3 3511 2.452 -2.710 2.561 1.00 0.00 WT1 H ATOM 12549 H2 TIP3 3511 -18.323 10.562 -11.267 1.00 0.00 WT1 H ATOM 12550 OH2 TIP3 3512 0.259 -0.927 -1.750 1.00 0.00 WT1 O ATOM 12551 H1 TIP3 3512 12.225 5.790 -6.767 1.00 0.00 WT1 H ATOM 12552 H2 TIP3 3512 3.387 0.717 -3.186 1.00 0.00 WT1 H ATOM 12553 OH2 TIP3 3513 0.826 0.238 1.898 1.00 0.00 WT1 O ATOM 12554 H1 TIP3 3513 -7.459 11.735 8.722 1.00 0.00 WT1 H ATOM 12555 H2 TIP3 3513 1.954 2.108 -16.116 1.00 0.00 WT1 H ATOM 12556 OH2 TIP3 3514 -3.604 2.390 -5.181 1.00 0.00 WT1 O ATOM 12557 H1 TIP3 3514 -6.483 -6.309 3.842 1.00 0.00 WT1 H ATOM 12558 H2 TIP3 3514 -5.474 -1.287 -9.398 1.00 0.00 WT1 H ATOM 12559 OH2 TIP3 3515 -0.022 -0.852 -7.142 1.00 0.00 WT1 O ATOM 12560 H1 TIP3 3515 13.856 -10.806 22.886 1.00 0.00 WT1 H ATOM 12561 H2 TIP3 3515 -3.028 -8.691 -21.544 1.00 0.00 WT1 H ATOM 12562 OH2 TIP3 3516 9.515 1.396 -0.878 1.00 0.00 WT1 O ATOM 12563 H1 TIP3 3516 11.735 3.450 -2.665 1.00 0.00 WT1 H ATOM 12564 H2 TIP3 3516 0.322 13.871 2.159 1.00 0.00 WT1 H ATOM 12565 OH2 TIP3 3517 -5.457 -5.101 1.778 1.00 0.00 WT1 O ATOM 12566 H1 TIP3 3517 -3.583 14.444 -6.090 1.00 0.00 WT1 H ATOM 12567 H2 TIP3 3517 2.183 -9.760 -7.163 1.00 0.00 WT1 H ATOM 12568 OH2 TIP3 3518 -2.711 -4.554 -0.570 1.00 0.00 WT1 O ATOM 12569 H1 TIP3 3518 12.292 14.300 -9.440 1.00 0.00 WT1 H ATOM 12570 H2 TIP3 3518 -6.551 -2.259 -7.570 1.00 0.00 WT1 H ATOM 12571 OH2 TIP3 3519 3.605 -0.277 2.462 1.00 0.00 WT1 O ATOM 12572 H1 TIP3 3519 3.911 -5.512 11.333 1.00 0.00 WT1 H ATOM 12573 H2 TIP3 3519 4.070 -8.465 18.253 1.00 0.00 WT1 H ATOM 12574 OH2 TIP3 3520 0.602 2.954 -1.513 1.00 0.00 WT1 O ATOM 12575 H1 TIP3 3520 7.090 11.557 -5.236 1.00 0.00 WT1 H ATOM 12576 H2 TIP3 3520 -7.837 2.093 -9.569 1.00 0.00 WT1 H ATOM 12577 OH2 TIP3 3521 1.565 -5.435 0.558 1.00 0.00 WT1 O ATOM 12578 H1 TIP3 3521 8.265 -14.036 -15.341 1.00 0.00 WT1 H ATOM 12579 H2 TIP3 3521 -5.602 5.438 16.874 1.00 0.00 WT1 H ATOM 12580 OH2 TIP3 3522 1.991 0.792 2.308 1.00 0.00 WT1 O ATOM 12581 H1 TIP3 3522 9.417 -4.334 -4.579 1.00 0.00 WT1 H ATOM 12582 H2 TIP3 3522 -3.215 8.183 1.193 1.00 0.00 WT1 H ATOM 12583 OH2 TIP3 3523 4.717 -1.186 -0.209 1.00 0.00 WT1 O ATOM 12584 H1 TIP3 3523 -1.275 21.107 14.159 1.00 0.00 WT1 H ATOM 12585 H2 TIP3 3523 16.531 -27.025 -7.283 1.00 0.00 WT1 H ATOM 12586 OH2 TIP3 3524 -3.612 2.663 4.932 1.00 0.00 WT1 O ATOM 12587 H1 TIP3 3524 -8.089 -4.878 18.632 1.00 0.00 WT1 H ATOM 12588 H2 TIP3 3524 6.979 -6.828 -1.636 1.00 0.00 WT1 H ATOM 12589 OH2 TIP3 3526 -0.951 5.775 0.554 1.00 0.00 WT1 O ATOM 12590 H1 TIP3 3526 -3.594 20.627 -9.995 1.00 0.00 WT1 H ATOM 12591 H2 TIP3 3526 2.019 -11.994 11.107 1.00 0.00 WT1 H ATOM 12592 OH2 TIP3 3527 2.087 4.078 2.667 1.00 0.00 WT1 O ATOM 12593 H1 TIP3 3527 7.705 7.048 -2.560 1.00 0.00 WT1 H ATOM 12594 H2 TIP3 3527 0.633 -9.089 6.721 1.00 0.00 WT1 H ATOM 12595 OH2 TIP3 3528 0.801 2.741 -2.391 1.00 0.00 WT1 O ATOM 12596 H1 TIP3 3528 16.178 0.070 -8.684 1.00 0.00 WT1 H ATOM 12597 H2 TIP3 3528 5.808 25.066 -3.417 1.00 0.00 WT1 H ATOM 12598 OH2 TIP3 3529 -2.525 0.190 -3.390 1.00 0.00 WT1 O ATOM 12599 H1 TIP3 3529 -25.887 5.361 -23.070 1.00 0.00 WT1 H ATOM 12600 H2 TIP3 3529 5.810 -6.799 11.667 1.00 0.00 WT1 H ATOM 12601 OH2 TIP3 3530 4.142 -0.115 -4.710 1.00 0.00 WT1 O ATOM 12602 H1 TIP3 3530 8.490 -20.950 -17.712 1.00 0.00 WT1 H ATOM 12603 H2 TIP3 3530 -3.812 37.644 3.474 1.00 0.00 WT1 H ATOM 12604 OH2 TIP3 3531 -4.425 -0.106 -3.005 1.00 0.00 WT1 O ATOM 12605 H1 TIP3 3531 -18.029 7.057 2.101 1.00 0.00 WT1 H ATOM 12606 H2 TIP3 3531 4.865 -2.488 -1.296 1.00 0.00 WT1 H ATOM 12607 OH2 TIP3 3533 -0.297 0.322 -1.976 1.00 0.00 WT1 O ATOM 12608 H1 TIP3 3533 11.500 11.064 -0.088 1.00 0.00 WT1 H ATOM 12609 H2 TIP3 3533 -13.364 -14.710 -0.260 1.00 0.00 WT1 H ATOM 12610 OH2 TIP3 3534 -0.639 -1.036 -3.922 1.00 0.00 WT1 O ATOM 12611 H1 TIP3 3534 -0.390 15.114 -17.762 1.00 0.00 WT1 H ATOM 12612 H2 TIP3 3534 4.832 -3.378 7.019 1.00 0.00 WT1 H ATOM 12613 OH2 TIP3 3535 -0.742 4.688 11.193 1.00 0.00 WT1 O ATOM 12614 H1 TIP3 3535 -18.420 14.737 8.161 1.00 0.00 WT1 H ATOM 12615 H2 TIP3 3535 15.127 20.935 14.382 1.00 0.00 WT1 H ATOM 12616 OH2 TIP3 3536 3.155 0.796 -3.181 1.00 0.00 WT1 O ATOM 12617 H1 TIP3 3536 6.334 10.659 2.773 1.00 0.00 WT1 H ATOM 12618 H2 TIP3 3536 -1.524 -0.814 -11.498 1.00 0.00 WT1 H ATOM 12619 OH2 TIP3 3537 -6.980 -0.978 -1.620 1.00 0.00 WT1 O ATOM 12620 H1 TIP3 3537 4.436 -3.352 4.710 1.00 0.00 WT1 H ATOM 12621 H2 TIP3 3537 -7.032 -12.927 -23.209 1.00 0.00 WT1 H ATOM 12622 OH2 TIP3 3538 7.572 -4.001 -0.989 1.00 0.00 WT1 O ATOM 12623 H1 TIP3 3538 20.029 -1.526 -7.146 1.00 0.00 WT1 H ATOM 12624 H2 TIP3 3538 13.396 -5.995 -3.362 1.00 0.00 WT1 H ATOM 12625 OH2 TIP3 3539 -0.687 7.021 4.271 1.00 0.00 WT1 O ATOM 12626 H1 TIP3 3539 -10.639 7.720 12.038 1.00 0.00 WT1 H ATOM 12627 H2 TIP3 3539 7.314 9.962 5.464 1.00 0.00 WT1 H ATOM 12628 OH2 TIP3 3543 -0.840 0.959 -5.020 1.00 0.00 WT1 O ATOM 12629 H1 TIP3 3543 -0.453 -2.846 -5.794 1.00 0.00 WT1 H ATOM 12630 H2 TIP3 3543 -1.546 -0.972 -0.898 1.00 0.00 WT1 H ATOM 12631 OH2 TIP3 3544 -3.903 -4.940 4.129 1.00 0.00 WT1 O ATOM 12632 H1 TIP3 3544 -9.058 11.164 14.249 1.00 0.00 WT1 H ATOM 12633 H2 TIP3 3544 -15.472 -5.395 -3.774 1.00 0.00 WT1 H ATOM 12634 OH2 TIP3 3545 -1.053 2.203 -0.294 1.00 0.00 WT1 O ATOM 12635 H1 TIP3 3545 -13.185 -2.965 -13.535 1.00 0.00 WT1 H ATOM 12636 H2 TIP3 3545 -7.577 5.168 10.622 1.00 0.00 WT1 H ATOM 12637 OH2 TIP3 3546 6.792 -4.719 -3.732 1.00 0.00 WT1 O ATOM 12638 H1 TIP3 3546 9.677 -20.297 -4.266 1.00 0.00 WT1 H ATOM 12639 H2 TIP3 3546 1.378 29.745 1.851 1.00 0.00 WT1 H ATOM 12640 OH2 TIP3 3548 -6.368 -5.072 0.640 1.00 0.00 WT1 O ATOM 12641 H1 TIP3 3548 -18.959 -14.830 -3.485 1.00 0.00 WT1 H ATOM 12642 H2 TIP3 3548 -20.836 -6.930 1.345 1.00 0.00 WT1 H ATOM 12643 OH2 TIP3 3549 -5.156 0.899 0.155 1.00 0.00 WT1 O ATOM 12644 H1 TIP3 3549 -9.694 21.946 14.967 1.00 0.00 WT1 H ATOM 12645 H2 TIP3 3549 2.849 1.276 3.346 1.00 0.00 WT1 H ATOM 12646 OH2 TIP3 3550 2.143 -1.194 3.285 1.00 0.00 WT1 O ATOM 12647 H1 TIP3 3550 -7.791 13.151 29.811 1.00 0.00 WT1 H ATOM 12648 H2 TIP3 3550 -7.789 5.619 9.096 1.00 0.00 WT1 H ATOM 12649 OH2 TIP3 3551 -1.349 -0.266 -1.059 1.00 0.00 WT1 O ATOM 12650 H1 TIP3 3551 21.893 -16.985 9.121 1.00 0.00 WT1 H ATOM 12651 H2 TIP3 3551 -9.169 3.399 2.973 1.00 0.00 WT1 H ATOM 12652 OH2 TIP3 3552 -0.077 -5.124 -2.230 1.00 0.00 WT1 O ATOM 12653 H1 TIP3 3552 0.800 -2.046 -5.858 1.00 0.00 WT1 H ATOM 12654 H2 TIP3 3552 -2.060 -5.321 -9.446 1.00 0.00 WT1 H ATOM 12655 OH2 TIP3 3554 2.979 3.079 4.816 1.00 0.00 WT1 O ATOM 12656 H1 TIP3 3554 8.929 8.503 18.553 1.00 0.00 WT1 H ATOM 12657 H2 TIP3 3554 8.975 -6.334 4.608 1.00 0.00 WT1 H ATOM 12658 OH2 TIP3 3555 0.229 -2.197 1.032 1.00 0.00 WT1 O ATOM 12659 H1 TIP3 3555 -0.947 0.622 -3.264 1.00 0.00 WT1 H ATOM 12660 H2 TIP3 3555 -2.730 0.869 -6.474 1.00 0.00 WT1 H ATOM 12661 OH2 TIP3 3556 6.160 3.051 -0.126 1.00 0.00 WT1 O ATOM 12662 H1 TIP3 3556 -1.289 -4.655 0.414 1.00 0.00 WT1 H ATOM 12663 H2 TIP3 3556 9.385 7.088 -0.348 1.00 0.00 WT1 H ATOM 12664 OH2 TIP3 3557 1.280 3.143 -1.786 1.00 0.00 WT1 O ATOM 12665 H1 TIP3 3557 -7.086 12.891 -5.640 1.00 0.00 WT1 H ATOM 12666 H2 TIP3 3557 -0.162 11.851 2.290 1.00 0.00 WT1 H ATOM 12667 OH2 TIP3 3558 4.115 -1.429 -0.857 1.00 0.00 WT1 O ATOM 12668 H1 TIP3 3558 3.112 -8.194 -1.555 1.00 0.00 WT1 H ATOM 12669 H2 TIP3 3558 5.720 2.824 2.720 1.00 0.00 WT1 H ATOM 12670 OH2 TIP3 3559 3.584 -1.568 -1.846 1.00 0.00 WT1 O ATOM 12671 H1 TIP3 3559 2.010 -17.677 -30.989 1.00 0.00 WT1 H ATOM 12672 H2 TIP3 3559 4.160 5.692 12.775 1.00 0.00 WT1 H ATOM 12673 OH2 TIP3 3560 5.288 0.927 -0.982 1.00 0.00 WT1 O ATOM 12674 H1 TIP3 3560 -13.201 -6.762 -15.769 1.00 0.00 WT1 H ATOM 12675 H2 TIP3 3560 1.433 -10.877 20.638 1.00 0.00 WT1 H ATOM 12676 OH2 TIP3 3561 0.874 -2.381 8.131 1.00 0.00 WT1 O ATOM 12677 H1 TIP3 3561 5.327 5.325 2.441 1.00 0.00 WT1 H ATOM 12678 H2 TIP3 3561 2.774 -12.714 11.203 1.00 0.00 WT1 H ATOM 12679 OH2 TIP3 3562 0.234 1.642 5.685 1.00 0.00 WT1 O ATOM 12680 H1 TIP3 3562 1.911 4.502 -8.758 1.00 0.00 WT1 H ATOM 12681 H2 TIP3 3562 2.966 7.106 -13.350 1.00 0.00 WT1 H ATOM 12682 OH2 TIP3 3563 3.706 4.851 -3.915 1.00 0.00 WT1 O ATOM 12683 H1 TIP3 3563 2.258 4.068 -6.237 1.00 0.00 WT1 H ATOM 12684 H2 TIP3 3563 4.954 4.969 -0.208 1.00 0.00 WT1 H ATOM 12685 OH2 TIP3 3564 2.902 3.614 -0.853 1.00 0.00 WT1 O ATOM 12686 H1 TIP3 3564 -2.107 22.205 3.575 1.00 0.00 WT1 H ATOM 12687 H2 TIP3 3564 7.903 -9.649 -5.065 1.00 0.00 WT1 H ATOM 12688 OH2 TIP3 3566 2.897 1.018 6.540 1.00 0.00 WT1 O ATOM 12689 H1 TIP3 3566 3.904 30.927 -13.070 1.00 0.00 WT1 H ATOM 12690 H2 TIP3 3566 -13.342 -19.874 5.178 1.00 0.00 WT1 H ATOM 12691 OH2 TIP3 3567 6.159 -2.446 -1.253 1.00 0.00 WT1 O ATOM 12692 H1 TIP3 3567 0.677 -2.804 -3.573 1.00 0.00 WT1 H ATOM 12693 H2 TIP3 3567 2.719 -6.735 11.130 1.00 0.00 WT1 H ATOM 12694 OH2 TIP3 3568 -7.023 -6.379 3.868 1.00 0.00 WT1 O ATOM 12695 H1 TIP3 3568 4.624 -10.352 6.858 1.00 0.00 WT1 H ATOM 12696 H2 TIP3 3568 -9.771 -6.365 1.928 1.00 0.00 WT1 H ATOM 12697 OH2 TIP3 3569 -5.230 1.703 3.374 1.00 0.00 WT1 O ATOM 12698 H1 TIP3 3569 -1.093 7.952 15.311 1.00 0.00 WT1 H ATOM 12699 H2 TIP3 3569 -11.978 6.559 4.187 1.00 0.00 WT1 H ATOM 12700 OH2 TIP3 3570 -4.094 -2.214 0.602 1.00 0.00 WT1 O ATOM 12701 H1 TIP3 3570 4.551 8.509 13.598 1.00 0.00 WT1 H ATOM 12702 H2 TIP3 3570 -7.055 0.337 -16.694 1.00 0.00 WT1 H ATOM 12703 OH2 TIP3 3571 -7.301 0.228 1.336 1.00 0.00 WT1 O ATOM 12704 H1 TIP3 3571 -15.094 -0.650 -0.164 1.00 0.00 WT1 H ATOM 12705 H2 TIP3 3571 -6.211 7.548 1.911 1.00 0.00 WT1 H ATOM 12706 OH2 TIP3 3572 5.707 -3.942 1.505 1.00 0.00 WT1 O ATOM 12707 H1 TIP3 3572 5.771 -2.838 1.407 1.00 0.00 WT1 H ATOM 12708 H2 TIP3 3572 3.766 -22.719 -4.041 1.00 0.00 WT1 H ATOM 12709 OH2 TIP3 3573 -0.283 -0.278 -2.198 1.00 0.00 WT1 O ATOM 12710 H1 TIP3 3573 -6.991 -3.815 -9.997 1.00 0.00 WT1 H ATOM 12711 H2 TIP3 3573 9.755 7.665 -10.308 1.00 0.00 WT1 H ATOM 12712 OH2 TIP3 3574 -0.854 6.490 -0.089 1.00 0.00 WT1 O ATOM 12713 H1 TIP3 3574 -3.950 1.977 12.960 1.00 0.00 WT1 H ATOM 12714 H2 TIP3 3574 -0.273 2.968 0.126 1.00 0.00 WT1 H ATOM 12715 OH2 TIP3 3575 0.407 0.830 6.303 1.00 0.00 WT1 O ATOM 12716 H1 TIP3 3575 8.671 -1.549 1.636 1.00 0.00 WT1 H ATOM 12717 H2 TIP3 3575 -13.146 -4.595 9.736 1.00 0.00 WT1 H ATOM 12718 OH2 TIP3 3576 -7.910 -0.169 -7.926 1.00 0.00 WT1 O ATOM 12719 H1 TIP3 3576 18.083 -1.316 16.767 1.00 0.00 WT1 H ATOM 12720 H2 TIP3 3576 -3.686 8.434 -16.358 1.00 0.00 WT1 H ATOM 12721 OH2 TIP3 3578 1.605 0.767 -1.376 1.00 0.00 WT1 O ATOM 12722 H1 TIP3 3578 -1.005 4.065 2.560 1.00 0.00 WT1 H ATOM 12723 H2 TIP3 3578 22.383 0.791 -6.518 1.00 0.00 WT1 H ATOM 12724 OH2 TIP3 3579 -2.300 -1.993 3.094 1.00 0.00 WT1 O ATOM 12725 H1 TIP3 3579 0.827 -0.182 9.819 1.00 0.00 WT1 H ATOM 12726 H2 TIP3 3579 -13.522 -9.969 6.278 1.00 0.00 WT1 H ATOM 12727 OH2 TIP3 3582 1.076 -1.766 -1.671 1.00 0.00 WT1 O ATOM 12728 H1 TIP3 3582 -18.493 10.457 0.690 1.00 0.00 WT1 H ATOM 12729 H2 TIP3 3582 14.522 5.254 15.423 1.00 0.00 WT1 H ATOM 12730 OH2 TIP3 3583 2.085 2.554 -2.894 1.00 0.00 WT1 O ATOM 12731 H1 TIP3 3583 0.791 2.218 1.201 1.00 0.00 WT1 H ATOM 12732 H2 TIP3 3583 3.017 -3.142 -10.496 1.00 0.00 WT1 H ATOM 12733 OH2 TIP3 3585 -0.709 2.617 3.551 1.00 0.00 WT1 O ATOM 12734 H1 TIP3 3585 10.536 12.075 5.217 1.00 0.00 WT1 H ATOM 12735 H2 TIP3 3585 -5.759 -0.159 9.225 1.00 0.00 WT1 H ATOM 12736 OH2 TIP3 3586 -1.257 -1.927 0.471 1.00 0.00 WT1 O ATOM 12737 H1 TIP3 3586 -14.474 18.380 1.782 1.00 0.00 WT1 H ATOM 12738 H2 TIP3 3586 20.100 -12.031 10.093 1.00 0.00 WT1 H ATOM 12739 OH2 TIP3 3587 -4.473 2.422 -3.131 1.00 0.00 WT1 O ATOM 12740 H1 TIP3 3587 -14.000 -1.227 -3.271 1.00 0.00 WT1 H ATOM 12741 H2 TIP3 3587 0.269 -12.846 5.863 1.00 0.00 WT1 H ATOM 12742 OH2 TIP3 3588 -2.327 -2.473 0.898 1.00 0.00 WT1 O ATOM 12743 H1 TIP3 3588 -6.594 -1.034 0.868 1.00 0.00 WT1 H ATOM 12744 H2 TIP3 3588 -19.069 5.309 8.039 1.00 0.00 WT1 H ATOM 12745 OH2 TIP3 3589 2.226 0.749 -5.167 1.00 0.00 WT1 O ATOM 12746 H1 TIP3 3589 -13.067 11.357 -9.459 1.00 0.00 WT1 H ATOM 12747 H2 TIP3 3589 3.104 13.189 -16.818 1.00 0.00 WT1 H ATOM 12748 OH2 TIP3 3590 4.322 3.037 -0.192 1.00 0.00 WT1 O ATOM 12749 H1 TIP3 3590 17.652 19.634 -15.920 1.00 0.00 WT1 H ATOM 12750 H2 TIP3 3590 1.835 15.266 -7.884 1.00 0.00 WT1 H ATOM 12751 OH2 TIP3 3591 -5.323 -0.249 -3.457 1.00 0.00 WT1 O ATOM 12752 H1 TIP3 3591 -6.751 -12.436 15.844 1.00 0.00 WT1 H ATOM 12753 H2 TIP3 3591 13.091 -8.857 -22.100 1.00 0.00 WT1 H ATOM 12754 OH2 TIP3 3592 -0.103 5.641 8.270 1.00 0.00 WT1 O ATOM 12755 H1 TIP3 3592 9.164 10.887 -4.086 1.00 0.00 WT1 H ATOM 12756 H2 TIP3 3592 -0.860 2.751 2.359 1.00 0.00 WT1 H ATOM 12757 OH2 TIP3 3593 2.117 -8.692 -0.126 1.00 0.00 WT1 O ATOM 12758 H1 TIP3 3593 -24.196 0.645 -21.880 1.00 0.00 WT1 H ATOM 12759 H2 TIP3 3593 -2.037 -10.213 9.221 1.00 0.00 WT1 H ATOM 12760 OH2 TIP3 3594 -4.045 -1.434 2.672 1.00 0.00 WT1 O ATOM 12761 H1 TIP3 3594 -2.272 -9.049 4.980 1.00 0.00 WT1 H ATOM 12762 H2 TIP3 3594 -15.145 11.490 -11.141 1.00 0.00 WT1 H ATOM 12763 OH2 TIP3 3595 -1.699 2.046 -1.383 1.00 0.00 WT1 O ATOM 12764 H1 TIP3 3595 12.137 4.434 11.163 1.00 0.00 WT1 H ATOM 12765 H2 TIP3 3595 9.071 -3.170 -8.698 1.00 0.00 WT1 H ATOM 12766 OH2 TIP3 3596 -2.449 -5.969 -3.201 1.00 0.00 WT1 O ATOM 12767 H1 TIP3 3596 -16.290 4.428 3.352 1.00 0.00 WT1 H ATOM 12768 H2 TIP3 3596 15.237 -18.969 -11.094 1.00 0.00 WT1 H ATOM 12769 OH2 TIP3 3597 3.212 0.122 2.234 1.00 0.00 WT1 O ATOM 12770 H1 TIP3 3597 5.083 10.920 -5.125 1.00 0.00 WT1 H ATOM 12771 H2 TIP3 3597 14.888 -4.220 3.138 1.00 0.00 WT1 H ATOM 12772 OH2 TIP3 3598 -2.370 0.174 -2.640 1.00 0.00 WT1 O ATOM 12773 H1 TIP3 3598 7.212 8.302 -25.191 1.00 0.00 WT1 H ATOM 12774 H2 TIP3 3598 -5.081 10.256 11.649 1.00 0.00 WT1 H ATOM 12775 OH2 TIP3 3599 -5.843 -6.707 2.846 1.00 0.00 WT1 O ATOM 12776 H1 TIP3 3599 0.602 7.256 -3.958 1.00 0.00 WT1 H ATOM 12777 H2 TIP3 3599 -4.261 -14.735 11.944 1.00 0.00 WT1 H ATOM 12778 OH2 TIP3 3602 1.103 0.268 -9.086 1.00 0.00 WT1 O ATOM 12779 H1 TIP3 3602 14.311 3.900 -9.704 1.00 0.00 WT1 H ATOM 12780 H2 TIP3 3602 13.408 3.993 -7.487 1.00 0.00 WT1 H ATOM 12781 OH2 TIP3 3603 4.998 -3.047 -0.496 1.00 0.00 WT1 O ATOM 12782 H1 TIP3 3603 0.845 -8.348 0.615 1.00 0.00 WT1 H ATOM 12783 H2 TIP3 3603 7.321 3.874 5.808 1.00 0.00 WT1 H ATOM 12784 OH2 TIP3 3604 -1.916 -4.226 3.652 1.00 0.00 WT1 O ATOM 12785 H1 TIP3 3604 10.049 -16.766 -20.954 1.00 0.00 WT1 H ATOM 12786 H2 TIP3 3604 33.138 22.148 -6.571 1.00 0.00 WT1 H ATOM 12787 OH2 TIP3 3606 -1.924 -0.305 -0.848 1.00 0.00 WT1 O ATOM 12788 H1 TIP3 3606 5.663 -3.006 4.238 1.00 0.00 WT1 H ATOM 12789 H2 TIP3 3606 -4.254 -23.551 -14.037 1.00 0.00 WT1 H ATOM 12790 OH2 TIP3 3607 -2.132 5.744 -0.159 1.00 0.00 WT1 O ATOM 12791 H1 TIP3 3607 -14.653 15.613 4.890 1.00 0.00 WT1 H ATOM 12792 H2 TIP3 3607 -15.039 25.830 7.178 1.00 0.00 WT1 H ATOM 12793 OH2 TIP3 3608 3.149 -4.308 5.095 1.00 0.00 WT1 O ATOM 12794 H1 TIP3 3608 3.765 -2.151 6.308 1.00 0.00 WT1 H ATOM 12795 H2 TIP3 3608 5.567 -15.276 2.437 1.00 0.00 WT1 H ATOM 12796 OH2 TIP3 3609 3.128 -2.257 2.245 1.00 0.00 WT1 O ATOM 12797 H1 TIP3 3609 -15.255 -14.736 -15.383 1.00 0.00 WT1 H ATOM 12798 H2 TIP3 3609 3.565 0.641 3.526 1.00 0.00 WT1 H ATOM 12799 OH2 TIP3 3610 2.064 4.638 -0.594 1.00 0.00 WT1 O ATOM 12800 H1 TIP3 3610 -33.125 -13.750 -0.500 1.00 0.00 WT1 H ATOM 12801 H2 TIP3 3610 -1.427 -10.067 3.106 1.00 0.00 WT1 H ATOM 12802 OH2 TIP3 3611 -0.999 -0.046 6.241 1.00 0.00 WT1 O ATOM 12803 H1 TIP3 3611 12.995 -10.183 -0.005 1.00 0.00 WT1 H ATOM 12804 H2 TIP3 3611 17.396 -20.945 12.715 1.00 0.00 WT1 H ATOM 12805 OH2 TIP3 3612 1.038 6.934 0.732 1.00 0.00 WT1 O ATOM 12806 H1 TIP3 3612 -0.391 3.516 -3.187 1.00 0.00 WT1 H ATOM 12807 H2 TIP3 3612 3.400 -10.375 -29.138 1.00 0.00 WT1 H ATOM 12808 OH2 TIP3 3613 -4.115 1.289 -2.536 1.00 0.00 WT1 O ATOM 12809 H1 TIP3 3613 20.945 -17.309 5.661 1.00 0.00 WT1 H ATOM 12810 H2 TIP3 3613 -15.029 -6.814 -31.875 1.00 0.00 WT1 H ATOM 12811 OH2 TIP3 3614 5.326 1.090 8.133 1.00 0.00 WT1 O ATOM 12812 H1 TIP3 3614 9.727 4.998 2.894 1.00 0.00 WT1 H ATOM 12813 H2 TIP3 3614 1.065 -9.272 6.320 1.00 0.00 WT1 H ATOM 12814 OH2 TIP3 3615 -2.228 1.689 3.138 1.00 0.00 WT1 O ATOM 12815 H1 TIP3 3615 -27.079 31.515 8.280 1.00 0.00 WT1 H ATOM 12816 H2 TIP3 3615 -9.907 -27.692 -2.054 1.00 0.00 WT1 H ATOM 12817 OH2 TIP3 3616 2.861 -3.635 -1.490 1.00 0.00 WT1 O ATOM 12818 H1 TIP3 3616 15.275 -10.673 -6.913 1.00 0.00 WT1 H ATOM 12819 H2 TIP3 3616 10.166 -8.300 -18.479 1.00 0.00 WT1 H ATOM 12820 OH2 TIP3 3618 1.418 -2.227 0.353 1.00 0.00 WT1 O ATOM 12821 H1 TIP3 3618 4.666 5.015 2.350 1.00 0.00 WT1 H ATOM 12822 H2 TIP3 3618 3.513 -15.306 -21.228 1.00 0.00 WT1 H ATOM 12823 OH2 TIP3 3619 -3.601 -1.461 -7.698 1.00 0.00 WT1 O ATOM 12824 H1 TIP3 3619 35.289 8.765 5.337 1.00 0.00 WT1 H ATOM 12825 H2 TIP3 3619 10.249 0.849 -1.863 1.00 0.00 WT1 H ATOM 12826 OH2 TIP3 3620 1.285 0.759 -3.761 1.00 0.00 WT1 O ATOM 12827 H1 TIP3 3620 16.567 -5.922 4.419 1.00 0.00 WT1 H ATOM 12828 H2 TIP3 3620 5.609 -12.977 -26.756 1.00 0.00 WT1 H ATOM 12829 OH2 TIP3 3621 -2.877 -1.247 -3.344 1.00 0.00 WT1 O ATOM 12830 H1 TIP3 3621 3.932 1.785 7.195 1.00 0.00 WT1 H ATOM 12831 H2 TIP3 3621 -13.053 -6.042 -2.941 1.00 0.00 WT1 H ATOM 12832 OH2 TIP3 3622 -3.659 -1.767 -2.589 1.00 0.00 WT1 O ATOM 12833 H1 TIP3 3622 8.195 -20.431 17.624 1.00 0.00 WT1 H ATOM 12834 H2 TIP3 3622 -29.897 19.066 2.882 1.00 0.00 WT1 H ATOM 12835 OH2 TIP3 3623 1.479 -5.002 7.010 1.00 0.00 WT1 O ATOM 12836 H1 TIP3 3623 -13.330 -21.479 12.025 1.00 0.00 WT1 H ATOM 12837 H2 TIP3 3623 -5.251 -20.158 9.686 1.00 0.00 WT1 H ATOM 12838 OH2 TIP3 3626 2.842 -3.020 2.925 1.00 0.00 WT1 O ATOM 12839 H1 TIP3 3626 -32.436 -14.355 1.686 1.00 0.00 WT1 H ATOM 12840 H2 TIP3 3626 11.594 -15.005 4.379 1.00 0.00 WT1 H ATOM 12841 OH2 TIP3 3627 2.172 -2.482 0.418 1.00 0.00 WT1 O ATOM 12842 H1 TIP3 3627 -5.331 7.253 8.627 1.00 0.00 WT1 H ATOM 12843 H2 TIP3 3627 -4.935 4.671 10.354 1.00 0.00 WT1 H ATOM 12844 OH2 TIP3 3629 5.067 4.182 4.732 1.00 0.00 WT1 O ATOM 12845 H1 TIP3 3629 5.337 -10.643 -7.714 1.00 0.00 WT1 H ATOM 12846 H2 TIP3 3629 -3.425 2.125 -0.305 1.00 0.00 WT1 H ATOM 12847 OH2 TIP3 3630 -1.373 0.931 -0.428 1.00 0.00 WT1 O ATOM 12848 H1 TIP3 3630 14.758 14.927 7.939 1.00 0.00 WT1 H ATOM 12849 H2 TIP3 3630 -27.342 -9.515 -28.751 1.00 0.00 WT1 H ATOM 12850 OH2 TIP3 3631 -1.962 5.589 -6.116 1.00 0.00 WT1 O ATOM 12851 H1 TIP3 3631 -2.954 4.939 -11.324 1.00 0.00 WT1 H ATOM 12852 H2 TIP3 3631 3.739 15.625 8.174 1.00 0.00 WT1 H ATOM 12853 OH2 TIP3 3632 0.030 -4.217 -0.790 1.00 0.00 WT1 O ATOM 12854 H1 TIP3 3632 7.228 -3.409 5.146 1.00 0.00 WT1 H ATOM 12855 H2 TIP3 3632 -0.623 -10.924 1.064 1.00 0.00 WT1 H ATOM 12856 OH2 TIP3 3633 -4.473 -2.423 2.410 1.00 0.00 WT1 O ATOM 12857 H1 TIP3 3633 -18.639 -10.897 27.215 1.00 0.00 WT1 H ATOM 12858 H2 TIP3 3633 -2.482 -1.199 -1.774 1.00 0.00 WT1 H ATOM 12859 OH2 TIP3 3634 5.801 -1.390 -4.883 1.00 0.00 WT1 O ATOM 12860 H1 TIP3 3634 4.394 -2.374 -32.413 1.00 0.00 WT1 H ATOM 12861 H2 TIP3 3634 4.176 -1.739 -9.882 1.00 0.00 WT1 H ATOM 12862 OH2 TIP3 3635 -0.059 0.632 2.624 1.00 0.00 WT1 O ATOM 12863 H1 TIP3 3635 10.368 2.283 -7.670 1.00 0.00 WT1 H ATOM 12864 H2 TIP3 3635 -1.744 3.972 9.519 1.00 0.00 WT1 H ATOM 12865 OH2 TIP3 3636 -1.543 -4.046 6.810 1.00 0.00 WT1 O ATOM 12866 H1 TIP3 3636 -11.503 4.641 6.808 1.00 0.00 WT1 H ATOM 12867 H2 TIP3 3636 6.917 0.178 -12.284 1.00 0.00 WT1 H ATOM 12868 OH2 TIP3 3637 -0.491 3.552 2.381 1.00 0.00 WT1 O ATOM 12869 H1 TIP3 3637 -27.939 -18.166 1.389 1.00 0.00 WT1 H ATOM 12870 H2 TIP3 3637 -13.325 0.445 -0.271 1.00 0.00 WT1 H ATOM 12871 OH2 TIP3 3638 6.008 2.358 -1.766 1.00 0.00 WT1 O ATOM 12872 H1 TIP3 3638 12.867 7.016 -16.222 1.00 0.00 WT1 H ATOM 12873 H2 TIP3 3638 11.065 5.349 -11.005 1.00 0.00 WT1 H ATOM 12874 OH2 TIP3 3639 -0.281 0.111 -1.155 1.00 0.00 WT1 O ATOM 12875 H1 TIP3 3639 8.540 4.311 1.495 1.00 0.00 WT1 H ATOM 12876 H2 TIP3 3639 6.123 3.577 1.374 1.00 0.00 WT1 H ATOM 12877 OH2 TIP3 3640 3.370 6.964 2.276 1.00 0.00 WT1 O ATOM 12878 H1 TIP3 3640 -22.316 -9.787 1.612 1.00 0.00 WT1 H ATOM 12879 H2 TIP3 3640 -6.870 35.432 -8.661 1.00 0.00 WT1 H ATOM 12880 OH2 TIP3 3641 1.457 3.784 -0.123 1.00 0.00 WT1 O ATOM 12881 H1 TIP3 3641 -5.548 9.885 1.935 1.00 0.00 WT1 H ATOM 12882 H2 TIP3 3641 4.435 16.196 2.188 1.00 0.00 WT1 H ATOM 12883 OH2 TIP3 3642 7.335 -4.100 1.088 1.00 0.00 WT1 O ATOM 12884 H1 TIP3 3642 7.582 -10.483 7.642 1.00 0.00 WT1 H ATOM 12885 H2 TIP3 3642 -14.476 18.669 -2.418 1.00 0.00 WT1 H ATOM 12886 OH2 TIP3 3643 -2.138 -2.010 1.348 1.00 0.00 WT1 O ATOM 12887 H1 TIP3 3643 -23.313 -8.579 9.475 1.00 0.00 WT1 H ATOM 12888 H2 TIP3 3643 -2.806 -0.120 -0.942 1.00 0.00 WT1 H ATOM 12889 OH2 TIP3 3646 3.976 2.949 3.752 1.00 0.00 WT1 O ATOM 12890 H1 TIP3 3646 -1.630 17.943 20.668 1.00 0.00 WT1 H ATOM 12891 H2 TIP3 3646 18.808 -16.220 10.665 1.00 0.00 WT1 H ATOM 12892 OH2 TIP3 3647 -0.866 8.820 -0.125 1.00 0.00 WT1 O ATOM 12893 H1 TIP3 3647 -0.242 -1.165 -5.264 1.00 0.00 WT1 H ATOM 12894 H2 TIP3 3647 -1.488 15.983 -9.268 1.00 0.00 WT1 H ATOM 12895 OH2 TIP3 3648 -2.709 4.945 3.095 1.00 0.00 WT1 O ATOM 12896 H1 TIP3 3648 -9.045 7.222 -4.857 1.00 0.00 WT1 H ATOM 12897 H2 TIP3 3648 5.184 1.963 4.140 1.00 0.00 WT1 H ATOM 12898 OH2 TIP3 3649 0.945 1.012 -6.041 1.00 0.00 WT1 O ATOM 12899 H1 TIP3 3649 11.013 9.961 -1.908 1.00 0.00 WT1 H ATOM 12900 H2 TIP3 3649 20.354 14.217 14.980 1.00 0.00 WT1 H ATOM 12901 OH2 TIP3 3650 3.011 -1.293 -0.420 1.00 0.00 WT1 O ATOM 12902 H1 TIP3 3650 -12.033 4.306 12.631 1.00 0.00 WT1 H ATOM 12903 H2 TIP3 3650 18.932 12.281 -10.767 1.00 0.00 WT1 H ATOM 12904 OH2 TIP3 3651 5.523 2.675 1.490 1.00 0.00 WT1 O ATOM 12905 H1 TIP3 3651 24.556 -6.828 13.584 1.00 0.00 WT1 H ATOM 12906 H2 TIP3 3651 4.516 7.022 -3.056 1.00 0.00 WT1 H ATOM 12907 OH2 TIP3 3652 -2.712 3.817 0.248 1.00 0.00 WT1 O ATOM 12908 H1 TIP3 3652 -25.360 7.341 -6.271 1.00 0.00 WT1 H ATOM 12909 H2 TIP3 3652 -9.894 -15.785 -9.795 1.00 0.00 WT1 H ATOM 12910 OH2 TIP3 3653 -2.972 2.400 -1.506 1.00 0.00 WT1 O ATOM 12911 H1 TIP3 3653 -10.709 22.133 0.696 1.00 0.00 WT1 H ATOM 12912 H2 TIP3 3653 11.246 8.805 8.864 1.00 0.00 WT1 H ATOM 12913 OH2 TIP3 3654 -2.068 -4.782 5.775 1.00 0.00 WT1 O ATOM 12914 H1 TIP3 3654 -6.867 -10.127 4.203 1.00 0.00 WT1 H ATOM 12915 H2 TIP3 3654 5.000 -7.127 24.725 1.00 0.00 WT1 H ATOM 12916 OH2 TIP3 3655 -3.540 -0.187 0.102 1.00 0.00 WT1 O ATOM 12917 H1 TIP3 3655 4.203 -14.624 6.996 1.00 0.00 WT1 H ATOM 12918 H2 TIP3 3655 1.964 -8.636 6.946 1.00 0.00 WT1 H ATOM 12919 OH2 TIP3 3656 -6.960 -3.135 -0.316 1.00 0.00 WT1 O ATOM 12920 H1 TIP3 3656 11.946 24.383 8.273 1.00 0.00 WT1 H ATOM 12921 H2 TIP3 3656 8.804 30.443 -10.613 1.00 0.00 WT1 H ATOM 12922 OH2 TIP3 3657 -4.506 0.808 -1.000 1.00 0.00 WT1 O ATOM 12923 H1 TIP3 3657 -6.856 3.914 20.676 1.00 0.00 WT1 H ATOM 12924 H2 TIP3 3657 -7.619 6.551 5.676 1.00 0.00 WT1 H ATOM 12925 OH2 TIP3 3658 -2.795 4.432 -2.158 1.00 0.00 WT1 O ATOM 12926 H1 TIP3 3658 -23.557 15.324 -15.318 1.00 0.00 WT1 H ATOM 12927 H2 TIP3 3658 -6.923 -2.240 -6.156 1.00 0.00 WT1 H ATOM 12928 OH2 TIP3 3659 -0.751 1.340 0.242 1.00 0.00 WT1 O ATOM 12929 H1 TIP3 3659 -0.808 -5.473 3.698 1.00 0.00 WT1 H ATOM 12930 H2 TIP3 3659 -3.938 2.978 -0.259 1.00 0.00 WT1 H ATOM 12931 OH2 TIP3 3660 1.546 2.270 0.620 1.00 0.00 WT1 O ATOM 12932 H1 TIP3 3660 -5.723 15.320 3.669 1.00 0.00 WT1 H ATOM 12933 H2 TIP3 3660 -6.608 -8.374 -5.344 1.00 0.00 WT1 H ATOM 12934 OH2 TIP3 3661 2.469 1.336 -3.748 1.00 0.00 WT1 O ATOM 12935 H1 TIP3 3661 1.339 2.272 2.105 1.00 0.00 WT1 H ATOM 12936 H2 TIP3 3661 33.606 -15.122 -0.714 1.00 0.00 WT1 H ATOM 12937 OH2 TIP3 3662 -8.877 2.312 1.045 1.00 0.00 WT1 O ATOM 12938 H1 TIP3 3662 -12.520 -4.116 -18.681 1.00 0.00 WT1 H ATOM 12939 H2 TIP3 3662 -16.582 -12.760 10.590 1.00 0.00 WT1 H ATOM 12940 OH2 TIP3 3663 -1.039 8.486 0.209 1.00 0.00 WT1 O ATOM 12941 H1 TIP3 3663 -6.037 19.791 -6.627 1.00 0.00 WT1 H ATOM 12942 H2 TIP3 3663 -6.977 0.877 11.108 1.00 0.00 WT1 H ATOM 12943 OH2 TIP3 3664 -2.066 1.471 3.894 1.00 0.00 WT1 O ATOM 12944 H1 TIP3 3664 3.310 -10.218 0.946 1.00 0.00 WT1 H ATOM 12945 H2 TIP3 3664 -2.003 2.697 4.032 1.00 0.00 WT1 H ATOM 12946 OH2 TIP3 3665 -3.587 -4.574 -2.775 1.00 0.00 WT1 O ATOM 12947 H1 TIP3 3665 -16.781 1.555 -4.952 1.00 0.00 WT1 H ATOM 12948 H2 TIP3 3665 -19.065 3.247 1.294 1.00 0.00 WT1 H ATOM 12949 OH2 TIP3 3666 8.071 1.538 1.979 1.00 0.00 WT1 O ATOM 12950 H1 TIP3 3666 -0.428 -3.782 7.553 1.00 0.00 WT1 H ATOM 12951 H2 TIP3 3666 0.725 7.719 -33.579 1.00 0.00 WT1 H ATOM 12952 OH2 TIP3 3668 -6.273 -2.462 5.260 1.00 0.00 WT1 O ATOM 12953 H1 TIP3 3668 -7.352 -18.891 -0.762 1.00 0.00 WT1 H ATOM 12954 H2 TIP3 3668 19.918 3.749 19.579 1.00 0.00 WT1 H ATOM 12955 OH2 TIP3 3669 3.382 -2.388 -2.516 1.00 0.00 WT1 O ATOM 12956 H1 TIP3 3669 -2.329 -18.531 7.293 1.00 0.00 WT1 H ATOM 12957 H2 TIP3 3669 19.200 12.092 3.981 1.00 0.00 WT1 H ATOM 12958 OH2 TIP3 3670 -1.459 -3.747 -4.759 1.00 0.00 WT1 O ATOM 12959 H1 TIP3 3670 5.076 -1.085 -10.923 1.00 0.00 WT1 H ATOM 12960 H2 TIP3 3670 15.300 16.185 -19.295 1.00 0.00 WT1 H ATOM 12961 OH2 TIP3 3672 -0.734 -5.036 -4.100 1.00 0.00 WT1 O ATOM 12962 H1 TIP3 3672 4.871 -2.541 -10.839 1.00 0.00 WT1 H ATOM 12963 H2 TIP3 3672 10.519 1.869 8.221 1.00 0.00 WT1 H ATOM 12964 OH2 TIP3 3673 2.904 1.803 7.482 1.00 0.00 WT1 O ATOM 12965 H1 TIP3 3673 3.857 -11.439 16.143 1.00 0.00 WT1 H ATOM 12966 H2 TIP3 3673 -0.551 10.264 11.517 1.00 0.00 WT1 H ATOM 12967 OH2 TIP3 3674 0.898 1.638 -4.114 1.00 0.00 WT1 O ATOM 12968 H1 TIP3 3674 -10.225 -1.111 -24.659 1.00 0.00 WT1 H ATOM 12969 H2 TIP3 3674 31.379 4.964 6.879 1.00 0.00 WT1 H ATOM 12970 OH2 TIP3 3675 -0.666 0.930 -4.185 1.00 0.00 WT1 O ATOM 12971 H1 TIP3 3675 -14.998 17.662 22.617 1.00 0.00 WT1 H ATOM 12972 H2 TIP3 3675 24.173 -5.832 -7.852 1.00 0.00 WT1 H ATOM 12973 OH2 TIP3 3676 7.436 4.345 1.879 1.00 0.00 WT1 O ATOM 12974 H1 TIP3 3676 8.884 6.771 9.573 1.00 0.00 WT1 H ATOM 12975 H2 TIP3 3676 8.917 -3.902 5.668 1.00 0.00 WT1 H ATOM 12976 OH2 TIP3 3677 -4.597 -2.486 -0.710 1.00 0.00 WT1 O ATOM 12977 H1 TIP3 3677 3.878 4.966 2.438 1.00 0.00 WT1 H ATOM 12978 H2 TIP3 3677 4.970 -6.682 3.904 1.00 0.00 WT1 H ATOM 12979 OH2 TIP3 3678 -5.899 -8.740 -6.726 1.00 0.00 WT1 O ATOM 12980 H1 TIP3 3678 -3.289 -16.350 25.177 1.00 0.00 WT1 H ATOM 12981 H2 TIP3 3678 -4.183 -12.863 10.309 1.00 0.00 WT1 H ATOM 12982 OH2 TIP3 3679 -1.617 -8.239 0.407 1.00 0.00 WT1 O ATOM 12983 H1 TIP3 3679 -14.715 -9.542 -20.108 1.00 0.00 WT1 H ATOM 12984 H2 TIP3 3679 -9.650 -19.176 -9.130 1.00 0.00 WT1 H ATOM 12985 OH2 TIP3 3680 3.321 0.905 3.727 1.00 0.00 WT1 O ATOM 12986 H1 TIP3 3680 -4.930 -22.345 21.981 1.00 0.00 WT1 H ATOM 12987 H2 TIP3 3680 -13.284 0.416 1.924 1.00 0.00 WT1 H ATOM 12988 OH2 TIP3 3681 -2.993 4.563 4.141 1.00 0.00 WT1 O ATOM 12989 H1 TIP3 3681 -9.286 -1.731 1.474 1.00 0.00 WT1 H ATOM 12990 H2 TIP3 3681 3.139 -3.866 -1.514 1.00 0.00 WT1 H ATOM 12991 OH2 TIP3 3682 -3.362 -3.958 3.239 1.00 0.00 WT1 O ATOM 12992 H1 TIP3 3682 4.542 -8.913 13.692 1.00 0.00 WT1 H ATOM 12993 H2 TIP3 3682 7.845 -19.927 7.361 1.00 0.00 WT1 H ATOM 12994 OH2 TIP3 3683 5.910 -1.032 -3.465 1.00 0.00 WT1 O ATOM 12995 H1 TIP3 3683 9.392 -1.900 18.390 1.00 0.00 WT1 H ATOM 12996 H2 TIP3 3683 -0.032 -0.370 -18.410 1.00 0.00 WT1 H ATOM 12997 OH2 TIP3 3685 3.954 5.122 1.911 1.00 0.00 WT1 O ATOM 12998 H1 TIP3 3685 -24.360 -7.996 -9.012 1.00 0.00 WT1 H ATOM 12999 H2 TIP3 3685 5.734 -18.934 32.359 1.00 0.00 WT1 H ATOM 13000 OH2 TIP3 3686 4.620 -3.997 0.791 1.00 0.00 WT1 O ATOM 13001 H1 TIP3 3686 3.636 7.914 -13.050 1.00 0.00 WT1 H ATOM 13002 H2 TIP3 3686 4.037 3.102 -22.710 1.00 0.00 WT1 H ATOM 13003 OH2 TIP3 3687 5.560 -3.711 -3.003 1.00 0.00 WT1 O ATOM 13004 H1 TIP3 3687 6.836 -3.547 -1.773 1.00 0.00 WT1 H ATOM 13005 H2 TIP3 3687 5.052 -4.301 -4.282 1.00 0.00 WT1 H ATOM 13006 OH2 TIP3 3689 -1.985 1.137 -1.494 1.00 0.00 WT1 O ATOM 13007 H1 TIP3 3689 -5.355 10.713 2.358 1.00 0.00 WT1 H ATOM 13008 H2 TIP3 3689 -11.007 -0.071 21.540 1.00 0.00 WT1 H ATOM 13009 OH2 TIP3 3691 -5.702 -4.208 1.620 1.00 0.00 WT1 O ATOM 13010 H1 TIP3 3691 -1.528 -16.731 7.120 1.00 0.00 WT1 H ATOM 13011 H2 TIP3 3691 -5.686 -11.434 5.843 1.00 0.00 WT1 H ATOM 13012 OH2 TIP3 3692 -2.778 -1.574 2.699 1.00 0.00 WT1 O ATOM 13013 H1 TIP3 3692 31.613 7.879 -18.685 1.00 0.00 WT1 H ATOM 13014 H2 TIP3 3692 13.596 2.348 -4.051 1.00 0.00 WT1 H ATOM 13015 OH2 TIP3 3693 -2.050 -4.892 -5.407 1.00 0.00 WT1 O ATOM 13016 H1 TIP3 3693 22.369 -22.207 12.627 1.00 0.00 WT1 H ATOM 13017 H2 TIP3 3693 12.440 13.916 -7.881 1.00 0.00 WT1 H ATOM 13018 OH2 TIP3 3694 -5.984 4.358 -1.056 1.00 0.00 WT1 O ATOM 13019 H1 TIP3 3694 -4.250 7.261 -8.901 1.00 0.00 WT1 H ATOM 13020 H2 TIP3 3694 -8.888 0.062 10.145 1.00 0.00 WT1 H ATOM 13021 OH2 TIP3 3695 -0.538 -4.642 3.543 1.00 0.00 WT1 O ATOM 13022 H1 TIP3 3695 3.768 5.174 -9.297 1.00 0.00 WT1 H ATOM 13023 H2 TIP3 3695 -3.118 13.233 9.495 1.00 0.00 WT1 H ATOM 13024 OH2 TIP3 3696 -3.342 5.695 -2.267 1.00 0.00 WT1 O ATOM 13025 H1 TIP3 3696 -9.744 -5.275 -29.562 1.00 0.00 WT1 H ATOM 13026 H2 TIP3 3696 -20.670 -5.945 -13.223 1.00 0.00 WT1 H ATOM 13027 OH2 TIP3 3697 1.158 -3.871 1.299 1.00 0.00 WT1 O ATOM 13028 H1 TIP3 3697 -0.423 -12.566 15.956 1.00 0.00 WT1 H ATOM 13029 H2 TIP3 3697 -6.083 -2.905 1.422 1.00 0.00 WT1 H ATOM 13030 OH2 TIP3 3698 -4.218 1.164 -2.739 1.00 0.00 WT1 O ATOM 13031 H1 TIP3 3698 -8.772 -7.375 1.276 1.00 0.00 WT1 H ATOM 13032 H2 TIP3 3698 -3.058 11.184 4.302 1.00 0.00 WT1 H ATOM 13033 OH2 TIP3 3699 0.535 -4.541 -4.534 1.00 0.00 WT1 O ATOM 13034 H1 TIP3 3699 -24.886 -13.855 13.091 1.00 0.00 WT1 H ATOM 13035 H2 TIP3 3699 19.037 5.766 0.157 1.00 0.00 WT1 H ATOM 13036 OH2 TIP3 3700 9.403 -0.777 3.117 1.00 0.00 WT1 O ATOM 13037 H1 TIP3 3700 12.568 16.725 -8.110 1.00 0.00 WT1 H ATOM 13038 H2 TIP3 3700 26.913 16.533 2.738 1.00 0.00 WT1 H ATOM 13039 OH2 TIP3 3701 6.159 -7.182 -0.860 1.00 0.00 WT1 O ATOM 13040 H1 TIP3 3701 6.126 1.905 -3.127 1.00 0.00 WT1 H ATOM 13041 H2 TIP3 3701 -3.532 18.962 -16.042 1.00 0.00 WT1 H ATOM 13042 OH2 TIP3 3702 1.431 -8.401 1.455 1.00 0.00 WT1 O ATOM 13043 H1 TIP3 3702 6.840 -10.870 -4.958 1.00 0.00 WT1 H ATOM 13044 H2 TIP3 3702 1.533 -10.116 1.223 1.00 0.00 WT1 H ATOM 13045 OH2 TIP3 3703 1.661 1.235 -0.136 1.00 0.00 WT1 O ATOM 13046 H1 TIP3 3703 -6.006 -3.993 7.785 1.00 0.00 WT1 H ATOM 13047 H2 TIP3 3703 2.964 -1.489 2.823 1.00 0.00 WT1 H ATOM 13048 OH2 TIP3 3704 4.491 -1.516 2.917 1.00 0.00 WT1 O ATOM 13049 H1 TIP3 3704 -1.785 -0.591 3.518 1.00 0.00 WT1 H ATOM 13050 H2 TIP3 3704 22.775 -5.940 1.364 1.00 0.00 WT1 H ATOM 13051 OH2 TIP3 3705 -6.230 -1.196 -2.777 1.00 0.00 WT1 O ATOM 13052 H1 TIP3 3705 1.132 10.978 -5.844 1.00 0.00 WT1 H ATOM 13053 H2 TIP3 3705 0.157 1.382 -1.062 1.00 0.00 WT1 H ATOM 13054 OH2 TIP3 3706 -8.045 0.730 -2.293 1.00 0.00 WT1 O ATOM 13055 H1 TIP3 3706 7.275 -11.285 0.504 1.00 0.00 WT1 H ATOM 13056 H2 TIP3 3706 14.170 -23.308 1.986 1.00 0.00 WT1 H ATOM 13057 OH2 TIP3 3708 -1.175 -4.323 5.325 1.00 0.00 WT1 O ATOM 13058 H1 TIP3 3708 9.535 3.354 -25.817 1.00 0.00 WT1 H ATOM 13059 H2 TIP3 3708 -3.620 -3.187 10.733 1.00 0.00 WT1 H ATOM 13060 OH2 TIP3 3710 -1.413 -0.140 1.639 1.00 0.00 WT1 O ATOM 13061 H1 TIP3 3710 -1.317 19.739 18.947 1.00 0.00 WT1 H ATOM 13062 H2 TIP3 3710 -1.401 -10.328 -7.451 1.00 0.00 WT1 H ATOM 13063 OH2 TIP3 3711 0.553 -4.810 1.422 1.00 0.00 WT1 O ATOM 13064 H1 TIP3 3711 -7.438 3.348 -11.237 1.00 0.00 WT1 H ATOM 13065 H2 TIP3 3711 15.447 -9.340 -5.383 1.00 0.00 WT1 H ATOM 13066 OH2 TIP3 3712 4.166 -1.366 -2.542 1.00 0.00 WT1 O ATOM 13067 H1 TIP3 3712 9.360 -17.341 3.528 1.00 0.00 WT1 H ATOM 13068 H2 TIP3 3712 -6.635 2.589 -10.713 1.00 0.00 WT1 H ATOM 13069 OH2 TIP3 3715 -2.854 -1.364 -2.305 1.00 0.00 WT1 O ATOM 13070 H1 TIP3 3715 -7.130 -15.518 -3.230 1.00 0.00 WT1 H ATOM 13071 H2 TIP3 3715 1.150 20.475 -4.312 1.00 0.00 WT1 H ATOM 13072 OH2 TIP3 3717 -1.501 -1.240 -1.657 1.00 0.00 WT1 O ATOM 13073 H1 TIP3 3717 -23.881 33.541 -22.826 1.00 0.00 WT1 H ATOM 13074 H2 TIP3 3717 4.332 -9.373 2.932 1.00 0.00 WT1 H ATOM 13075 OH2 TIP3 3718 -3.168 1.596 2.519 1.00 0.00 WT1 O ATOM 13076 H1 TIP3 3718 27.913 -7.701 -11.897 1.00 0.00 WT1 H ATOM 13077 H2 TIP3 3718 -9.627 5.455 2.951 1.00 0.00 WT1 H ATOM 13078 OH2 TIP3 3719 -1.676 -3.790 -1.104 1.00 0.00 WT1 O ATOM 13079 H1 TIP3 3719 -2.273 0.405 15.584 1.00 0.00 WT1 H ATOM 13080 H2 TIP3 3719 -14.111 19.207 -4.131 1.00 0.00 WT1 H ATOM 13081 OH2 TIP3 3720 -4.796 -3.668 -3.892 1.00 0.00 WT1 O ATOM 13082 H1 TIP3 3720 -2.023 -2.066 0.719 1.00 0.00 WT1 H ATOM 13083 H2 TIP3 3720 -19.702 -13.085 -6.006 1.00 0.00 WT1 H ATOM 13084 OH2 TIP3 3721 6.368 4.011 -0.765 1.00 0.00 WT1 O ATOM 13085 H1 TIP3 3721 -28.177 20.972 -33.881 1.00 0.00 WT1 H ATOM 13086 H2 TIP3 3721 -3.940 0.088 -8.504 1.00 0.00 WT1 H ATOM 13087 OH2 TIP3 3722 7.319 -4.535 -3.551 1.00 0.00 WT1 O ATOM 13088 H1 TIP3 3722 -2.183 -3.929 -16.026 1.00 0.00 WT1 H ATOM 13089 H2 TIP3 3722 0.111 -1.666 -14.570 1.00 0.00 WT1 H ATOM 13090 OH2 TIP3 3723 -4.883 7.006 -1.122 1.00 0.00 WT1 O ATOM 13091 H1 TIP3 3723 -22.927 -7.464 0.142 1.00 0.00 WT1 H ATOM 13092 H2 TIP3 3723 -9.293 9.853 1.301 1.00 0.00 WT1 H ATOM 13093 OH2 TIP3 3724 8.650 1.053 -2.175 1.00 0.00 WT1 O ATOM 13094 H1 TIP3 3724 -1.405 -9.047 22.052 1.00 0.00 WT1 H ATOM 13095 H2 TIP3 3724 1.801 25.826 5.911 1.00 0.00 WT1 H ATOM 13096 OH2 TIP3 3727 6.046 -4.813 6.164 1.00 0.00 WT1 O ATOM 13097 H1 TIP3 3727 5.008 -5.466 8.142 1.00 0.00 WT1 H ATOM 13098 H2 TIP3 3727 -16.917 0.065 -13.704 1.00 0.00 WT1 H ATOM 13099 OH2 TIP3 3728 7.922 0.401 -0.677 1.00 0.00 WT1 O ATOM 13100 H1 TIP3 3728 22.112 26.265 7.178 1.00 0.00 WT1 H ATOM 13101 H2 TIP3 3728 9.214 -8.427 -1.639 1.00 0.00 WT1 H ATOM 13102 OH2 TIP3 3729 -3.111 -5.228 -0.934 1.00 0.00 WT1 O ATOM 13103 H1 TIP3 3729 -5.142 4.873 -12.561 1.00 0.00 WT1 H ATOM 13104 H2 TIP3 3729 -12.946 -12.142 -5.067 1.00 0.00 WT1 H ATOM 13105 OH2 TIP3 3732 1.556 1.401 6.449 1.00 0.00 WT1 O ATOM 13106 H1 TIP3 3732 13.084 8.049 5.887 1.00 0.00 WT1 H ATOM 13107 H2 TIP3 3732 -8.262 9.716 6.307 1.00 0.00 WT1 H ATOM 13108 OH2 TIP3 3735 1.486 -0.990 -5.412 1.00 0.00 WT1 O ATOM 13109 H1 TIP3 3735 9.842 -10.681 3.870 1.00 0.00 WT1 H ATOM 13110 H2 TIP3 3735 -13.864 0.351 13.914 1.00 0.00 WT1 H ATOM 13111 OH2 TIP3 3736 -2.204 -1.811 -3.204 1.00 0.00 WT1 O ATOM 13112 H1 TIP3 3736 0.345 -1.938 -5.387 1.00 0.00 WT1 H ATOM 13113 H2 TIP3 3736 -12.127 -6.074 4.419 1.00 0.00 WT1 H ATOM 13114 OH2 TIP3 3737 6.249 -1.888 3.361 1.00 0.00 WT1 O ATOM 13115 H1 TIP3 3737 15.033 -10.277 7.864 1.00 0.00 WT1 H ATOM 13116 H2 TIP3 3737 6.780 4.562 -5.442 1.00 0.00 WT1 H ATOM 13117 OH2 TIP3 3738 -0.361 -3.500 4.065 1.00 0.00 WT1 O ATOM 13118 H1 TIP3 3738 3.806 17.942 -15.456 1.00 0.00 WT1 H ATOM 13119 H2 TIP3 3738 12.252 16.975 10.576 1.00 0.00 WT1 H ATOM 13120 OH2 TIP3 3739 5.088 -5.096 4.538 1.00 0.00 WT1 O ATOM 13121 H1 TIP3 3739 10.114 -2.993 2.971 1.00 0.00 WT1 H ATOM 13122 H2 TIP3 3739 4.258 -1.516 2.776 1.00 0.00 WT1 H ATOM 13123 OH2 TIP3 3740 -0.653 -2.279 6.402 1.00 0.00 WT1 O ATOM 13124 H1 TIP3 3740 -12.118 -1.819 -4.740 1.00 0.00 WT1 H ATOM 13125 H2 TIP3 3740 -0.632 -1.857 5.102 1.00 0.00 WT1 H ATOM 13126 OH2 TIP3 3741 3.252 -0.286 4.285 1.00 0.00 WT1 O ATOM 13127 H1 TIP3 3741 -3.975 2.576 1.353 1.00 0.00 WT1 H ATOM 13128 H2 TIP3 3741 26.962 -11.605 10.799 1.00 0.00 WT1 H ATOM 13129 OH2 TIP3 3742 -0.732 3.466 0.040 1.00 0.00 WT1 O ATOM 13130 H1 TIP3 3742 -9.644 5.669 2.601 1.00 0.00 WT1 H ATOM 13131 H2 TIP3 3742 2.481 13.623 -1.341 1.00 0.00 WT1 H ATOM 13132 OH2 TIP3 3743 1.375 -2.031 -5.934 1.00 0.00 WT1 O ATOM 13133 H1 TIP3 3743 -8.979 -13.867 2.218 1.00 0.00 WT1 H ATOM 13134 H2 TIP3 3743 -4.034 14.304 -1.151 1.00 0.00 WT1 H ATOM 13135 OH2 TIP3 3744 6.714 0.911 0.712 1.00 0.00 WT1 O ATOM 13136 H1 TIP3 3744 -20.671 7.574 17.390 1.00 0.00 WT1 H ATOM 13137 H2 TIP3 3744 19.548 -8.309 -14.474 1.00 0.00 WT1 H ATOM 13138 OH2 TIP3 3745 -5.599 -5.447 -3.669 1.00 0.00 WT1 O ATOM 13139 H1 TIP3 3745 -25.061 -0.947 -21.855 1.00 0.00 WT1 H ATOM 13140 H2 TIP3 3745 -11.228 -2.485 -17.385 1.00 0.00 WT1 H ATOM 13141 OH2 TIP3 3746 -8.083 -0.511 -1.035 1.00 0.00 WT1 O ATOM 13142 H1 TIP3 3746 -7.153 -8.051 0.516 1.00 0.00 WT1 H ATOM 13143 H2 TIP3 3746 -0.727 5.243 1.120 1.00 0.00 WT1 H ATOM 13144 OH2 TIP3 3747 1.262 -2.406 -3.679 1.00 0.00 WT1 O ATOM 13145 H1 TIP3 3747 9.193 -8.465 -6.687 1.00 0.00 WT1 H ATOM 13146 H2 TIP3 3747 4.423 13.762 -3.988 1.00 0.00 WT1 H ATOM 13147 OH2 TIP3 3750 -5.638 4.796 -4.370 1.00 0.00 WT1 O ATOM 13148 H1 TIP3 3750 7.851 -28.109 12.505 1.00 0.00 WT1 H ATOM 13149 H2 TIP3 3750 -15.464 -14.286 -4.437 1.00 0.00 WT1 H ATOM 13150 OH2 TIP3 3751 -2.444 5.936 0.679 1.00 0.00 WT1 O ATOM 13151 H1 TIP3 3751 12.503 5.026 2.905 1.00 0.00 WT1 H ATOM 13152 H2 TIP3 3751 -10.967 -6.742 9.541 1.00 0.00 WT1 H ATOM 13153 OH2 TIP3 3752 -4.891 -7.048 -1.374 1.00 0.00 WT1 O ATOM 13154 H1 TIP3 3752 -2.970 -23.005 -8.909 1.00 0.00 WT1 H ATOM 13155 H2 TIP3 3752 -4.847 6.585 7.062 1.00 0.00 WT1 H ATOM 13156 OH2 TIP3 3753 -6.029 1.108 3.178 1.00 0.00 WT1 O ATOM 13157 H1 TIP3 3753 5.499 -18.038 -20.512 1.00 0.00 WT1 H ATOM 13158 H2 TIP3 3753 -5.688 3.032 -24.459 1.00 0.00 WT1 H ATOM 13159 OH2 TIP3 3756 -5.977 -3.333 3.832 1.00 0.00 WT1 O ATOM 13160 H1 TIP3 3756 -9.880 2.938 15.424 1.00 0.00 WT1 H ATOM 13161 H2 TIP3 3756 2.463 7.988 -3.316 1.00 0.00 WT1 H ATOM 13162 OH2 TIP3 3757 -4.436 -2.033 2.691 1.00 0.00 WT1 O ATOM 13163 H1 TIP3 3757 -11.824 -3.607 13.402 1.00 0.00 WT1 H ATOM 13164 H2 TIP3 3757 -11.456 11.210 1.556 1.00 0.00 WT1 H ATOM 13165 OH2 TIP3 3758 0.584 1.028 -0.809 1.00 0.00 WT1 O ATOM 13166 H1 TIP3 3758 0.983 -11.812 -17.986 1.00 0.00 WT1 H ATOM 13167 H2 TIP3 3758 -23.819 9.054 0.796 1.00 0.00 WT1 H ATOM 13168 OH2 TIP3 3759 2.920 1.413 -0.172 1.00 0.00 WT1 O ATOM 13169 H1 TIP3 3759 -6.369 -11.336 -7.279 1.00 0.00 WT1 H ATOM 13170 H2 TIP3 3759 7.035 -3.750 6.492 1.00 0.00 WT1 H ATOM 13171 OH2 TIP3 3760 -2.840 2.374 -4.633 1.00 0.00 WT1 O ATOM 13172 H1 TIP3 3760 4.908 5.207 -7.277 1.00 0.00 WT1 H ATOM 13173 H2 TIP3 3760 -1.018 1.315 2.174 1.00 0.00 WT1 H ATOM 13174 OH2 TIP3 3761 2.840 -4.326 1.057 1.00 0.00 WT1 O ATOM 13175 H1 TIP3 3761 6.042 -16.357 -8.619 1.00 0.00 WT1 H ATOM 13176 H2 TIP3 3761 -9.509 23.283 -5.694 1.00 0.00 WT1 H ATOM 13177 OH2 TIP3 3762 0.186 -9.380 -6.425 1.00 0.00 WT1 O ATOM 13178 H1 TIP3 3762 -11.293 -5.703 2.252 1.00 0.00 WT1 H ATOM 13179 H2 TIP3 3762 -6.643 1.416 -12.301 1.00 0.00 WT1 H ATOM 13180 OH2 TIP3 3763 7.374 0.882 -2.113 1.00 0.00 WT1 O ATOM 13181 H1 TIP3 3763 4.597 28.379 -7.001 1.00 0.00 WT1 H ATOM 13182 H2 TIP3 3763 -7.475 29.945 -11.117 1.00 0.00 WT1 H ATOM 13183 OH2 TIP3 3764 3.332 5.002 4.079 1.00 0.00 WT1 O ATOM 13184 H1 TIP3 3764 -15.568 -13.783 7.485 1.00 0.00 WT1 H ATOM 13185 H2 TIP3 3764 27.306 -7.296 1.700 1.00 0.00 WT1 H ATOM 13186 OH2 TIP3 3765 8.202 0.605 -0.279 1.00 0.00 WT1 O ATOM 13187 H1 TIP3 3765 4.377 7.705 -6.191 1.00 0.00 WT1 H ATOM 13188 H2 TIP3 3765 5.994 32.668 -23.211 1.00 0.00 WT1 H ATOM 13189 OH2 TIP3 3768 3.804 0.541 -6.794 1.00 0.00 WT1 O ATOM 13190 H1 TIP3 3768 -7.996 6.332 -6.134 1.00 0.00 WT1 H ATOM 13191 H2 TIP3 3768 5.273 -9.494 -15.313 1.00 0.00 WT1 H ATOM 13192 OH2 TIP3 3770 -5.953 2.349 -0.238 1.00 0.00 WT1 O ATOM 13193 H1 TIP3 3770 -7.284 -6.287 2.763 1.00 0.00 WT1 H ATOM 13194 H2 TIP3 3770 -7.867 6.343 -12.073 1.00 0.00 WT1 H ATOM 13195 OH2 TIP3 3775 2.362 4.920 -4.094 1.00 0.00 WT1 O ATOM 13196 H1 TIP3 3775 3.933 -8.038 14.132 1.00 0.00 WT1 H ATOM 13197 H2 TIP3 3775 5.991 -10.430 19.047 1.00 0.00 WT1 H ATOM 13198 OH2 TIP3 3776 -4.287 -2.412 -2.596 1.00 0.00 WT1 O ATOM 13199 H1 TIP3 3776 -10.645 4.800 -1.373 1.00 0.00 WT1 H ATOM 13200 H2 TIP3 3776 -19.135 1.956 6.474 1.00 0.00 WT1 H ATOM 13201 OH2 TIP3 3777 -5.433 -1.497 2.064 1.00 0.00 WT1 O ATOM 13202 H1 TIP3 3777 -5.957 -2.347 -0.241 1.00 0.00 WT1 H ATOM 13203 H2 TIP3 3777 -12.455 -17.284 1.951 1.00 0.00 WT1 H ATOM 13204 OH2 TIP3 3779 2.078 -0.913 0.094 1.00 0.00 WT1 O ATOM 13205 H1 TIP3 3779 23.477 -11.583 18.015 1.00 0.00 WT1 H ATOM 13206 H2 TIP3 3779 -18.911 3.613 -34.649 1.00 0.00 WT1 H ATOM 13207 OH2 TIP3 3780 -0.702 2.140 -1.026 1.00 0.00 WT1 O ATOM 13208 H1 TIP3 3780 -31.779 22.561 -19.740 1.00 0.00 WT1 H ATOM 13209 H2 TIP3 3780 8.605 -11.061 16.565 1.00 0.00 WT1 H ATOM 13210 OH2 TIP3 3781 0.069 -4.355 2.769 1.00 0.00 WT1 O ATOM 13211 H1 TIP3 3781 21.170 15.552 6.844 1.00 0.00 WT1 H ATOM 13212 H2 TIP3 3781 -21.646 6.924 -3.219 1.00 0.00 WT1 H ATOM 13213 OH2 TIP3 3782 2.132 -6.569 1.915 1.00 0.00 WT1 O ATOM 13214 H1 TIP3 3782 13.132 -9.212 -2.139 1.00 0.00 WT1 H ATOM 13215 H2 TIP3 3782 -14.738 1.649 13.026 1.00 0.00 WT1 H ATOM 13216 OH2 TIP3 3783 -0.452 4.457 2.403 1.00 0.00 WT1 O ATOM 13217 H1 TIP3 3783 9.183 6.526 6.209 1.00 0.00 WT1 H ATOM 13218 H2 TIP3 3783 0.431 -5.625 -16.587 1.00 0.00 WT1 H ATOM 13219 OH2 TIP3 3784 -3.115 1.182 -7.283 1.00 0.00 WT1 O ATOM 13220 H1 TIP3 3784 -12.771 0.300 1.602 1.00 0.00 WT1 H ATOM 13221 H2 TIP3 3784 -1.281 -6.436 -0.322 1.00 0.00 WT1 H ATOM 13222 OH2 TIP3 3785 -8.035 1.482 5.189 1.00 0.00 WT1 O ATOM 13223 H1 TIP3 3785 -8.383 -12.579 -4.137 1.00 0.00 WT1 H ATOM 13224 H2 TIP3 3785 19.404 -2.182 8.665 1.00 0.00 WT1 H ATOM 13225 OH2 TIP3 3786 6.982 0.592 2.060 1.00 0.00 WT1 O ATOM 13226 H1 TIP3 3786 22.738 6.522 4.386 1.00 0.00 WT1 H ATOM 13227 H2 TIP3 3786 11.522 -9.328 -8.040 1.00 0.00 WT1 H ATOM 13228 OH2 TIP3 3788 -1.893 3.544 2.447 1.00 0.00 WT1 O ATOM 13229 H1 TIP3 3788 -3.497 6.104 0.254 1.00 0.00 WT1 H ATOM 13230 H2 TIP3 3788 8.647 13.921 -15.967 1.00 0.00 WT1 H ATOM 13231 OH2 TIP3 3789 -0.213 5.262 2.221 1.00 0.00 WT1 O ATOM 13232 H1 TIP3 3789 -16.156 22.664 17.578 1.00 0.00 WT1 H ATOM 13233 H2 TIP3 3789 -14.887 -17.405 4.462 1.00 0.00 WT1 H ATOM 13234 OH2 TIP3 3790 -5.935 0.227 -2.919 1.00 0.00 WT1 O ATOM 13235 H1 TIP3 3790 -9.136 5.292 19.905 1.00 0.00 WT1 H ATOM 13236 H2 TIP3 3790 -12.145 22.237 -6.377 1.00 0.00 WT1 H ATOM 13237 OH2 TIP3 3795 -3.486 1.067 -6.320 1.00 0.00 WT1 O ATOM 13238 H1 TIP3 3795 -4.216 -11.490 -1.231 1.00 0.00 WT1 H ATOM 13239 H2 TIP3 3795 -15.856 5.381 2.737 1.00 0.00 WT1 H ATOM 13240 OH2 TIP3 3796 -4.436 -2.253 4.891 1.00 0.00 WT1 O ATOM 13241 H1 TIP3 3796 -13.778 -4.571 24.584 1.00 0.00 WT1 H ATOM 13242 H2 TIP3 3796 -14.363 -1.189 9.449 1.00 0.00 WT1 H ATOM 13243 OH2 TIP3 3797 4.654 -2.464 6.891 1.00 0.00 WT1 O ATOM 13244 H1 TIP3 3797 10.334 -14.507 3.871 1.00 0.00 WT1 H ATOM 13245 H2 TIP3 3797 10.279 -15.268 7.525 1.00 0.00 WT1 H ATOM 13246 OH2 TIP3 3798 0.054 -1.599 6.744 1.00 0.00 WT1 O ATOM 13247 H1 TIP3 3798 -21.339 -5.700 -7.754 1.00 0.00 WT1 H ATOM 13248 H2 TIP3 3798 -5.345 18.126 -16.225 1.00 0.00 WT1 H ATOM 13249 OH2 TIP3 3800 -3.936 2.685 6.664 1.00 0.00 WT1 O ATOM 13250 H1 TIP3 3800 -7.902 -0.566 6.892 1.00 0.00 WT1 H ATOM 13251 H2 TIP3 3800 17.872 7.875 -13.497 1.00 0.00 WT1 H ATOM 13252 OH2 TIP3 3801 4.973 -4.162 -2.579 1.00 0.00 WT1 O ATOM 13253 H1 TIP3 3801 26.178 -0.238 -1.841 1.00 0.00 WT1 H ATOM 13254 H2 TIP3 3801 -2.149 -25.601 15.274 1.00 0.00 WT1 H ATOM 13255 OH2 TIP3 3802 4.786 -3.354 -1.595 1.00 0.00 WT1 O ATOM 13256 H1 TIP3 3802 2.088 -15.036 -17.415 1.00 0.00 WT1 H ATOM 13257 H2 TIP3 3802 -16.720 11.566 -11.353 1.00 0.00 WT1 H ATOM 13258 OH2 TIP3 3803 1.841 4.043 -1.796 1.00 0.00 WT1 O ATOM 13259 H1 TIP3 3803 9.753 29.632 -29.976 1.00 0.00 WT1 H ATOM 13260 H2 TIP3 3803 -9.948 -10.504 14.165 1.00 0.00 WT1 H ATOM 13261 OH2 TIP3 3804 -0.615 4.462 -4.377 1.00 0.00 WT1 O ATOM 13262 H1 TIP3 3804 -29.191 -1.776 -17.003 1.00 0.00 WT1 H ATOM 13263 H2 TIP3 3804 -8.178 -4.729 2.070 1.00 0.00 WT1 H ATOM 13264 OH2 TIP3 3805 -5.201 0.891 -2.081 1.00 0.00 WT1 O ATOM 13265 H1 TIP3 3805 -10.216 -2.955 0.996 1.00 0.00 WT1 H ATOM 13266 H2 TIP3 3805 -8.147 -3.495 1.120 1.00 0.00 WT1 H ATOM 13267 OH2 TIP3 3806 5.016 -1.107 -2.108 1.00 0.00 WT1 O ATOM 13268 H1 TIP3 3806 9.641 -6.653 21.649 1.00 0.00 WT1 H ATOM 13269 H2 TIP3 3806 -14.074 -10.763 2.167 1.00 0.00 WT1 H ATOM 13270 OH2 TIP3 3807 3.436 0.415 -5.469 1.00 0.00 WT1 O ATOM 13271 H1 TIP3 3807 0.639 4.756 3.046 1.00 0.00 WT1 H ATOM 13272 H2 TIP3 3807 -26.191 15.537 1.204 1.00 0.00 WT1 H ATOM 13273 OH2 TIP3 3808 -3.331 -2.680 1.124 1.00 0.00 WT1 O ATOM 13274 H1 TIP3 3808 9.488 7.967 -4.518 1.00 0.00 WT1 H ATOM 13275 H2 TIP3 3808 -33.971 31.373 14.387 1.00 0.00 WT1 H ATOM 13276 OH2 TIP3 3809 1.208 -0.395 -0.438 1.00 0.00 WT1 O ATOM 13277 H1 TIP3 3809 6.832 6.519 4.089 1.00 0.00 WT1 H ATOM 13278 H2 TIP3 3809 -8.666 4.596 3.573 1.00 0.00 WT1 H ATOM 13279 OH2 TIP3 3810 -2.995 1.760 5.907 1.00 0.00 WT1 O ATOM 13280 H1 TIP3 3810 -3.760 -7.829 14.073 1.00 0.00 WT1 H ATOM 13281 H2 TIP3 3810 -5.464 -22.110 17.588 1.00 0.00 WT1 H ATOM 13282 OH2 TIP3 3811 -4.891 4.813 1.224 1.00 0.00 WT1 O ATOM 13283 H1 TIP3 3811 1.756 -0.138 4.454 1.00 0.00 WT1 H ATOM 13284 H2 TIP3 3811 -4.731 -6.091 -3.896 1.00 0.00 WT1 H ATOM 13285 OH2 TIP3 3813 1.566 -1.768 7.324 1.00 0.00 WT1 O ATOM 13286 H1 TIP3 3813 1.137 1.438 9.607 1.00 0.00 WT1 H ATOM 13287 H2 TIP3 3813 -0.762 -2.093 5.348 1.00 0.00 WT1 H ATOM 13288 OH2 TIP3 3818 0.117 -3.772 6.140 1.00 0.00 WT1 O ATOM 13289 H1 TIP3 3818 15.460 2.048 -3.728 1.00 0.00 WT1 H ATOM 13290 H2 TIP3 3818 25.420 -8.864 9.896 1.00 0.00 WT1 H ATOM 13291 OH2 TIP3 3819 3.365 3.376 5.562 1.00 0.00 WT1 O ATOM 13292 H1 TIP3 3819 -6.499 12.391 -2.055 1.00 0.00 WT1 H ATOM 13293 H2 TIP3 3819 5.961 3.943 -3.828 1.00 0.00 WT1 H ATOM 13294 OH2 TIP3 3820 -2.687 -1.010 -1.534 1.00 0.00 WT1 O ATOM 13295 H1 TIP3 3820 -4.817 -2.035 -4.389 1.00 0.00 WT1 H ATOM 13296 H2 TIP3 3820 -0.149 2.929 5.679 1.00 0.00 WT1 H ATOM 13297 OH2 TIP3 3821 3.398 -1.017 -9.290 1.00 0.00 WT1 O ATOM 13298 H1 TIP3 3821 1.625 -7.805 -14.614 1.00 0.00 WT1 H ATOM 13299 H2 TIP3 3821 -0.755 1.448 0.338 1.00 0.00 WT1 H ATOM 13300 OH2 TIP3 3822 -0.962 3.013 6.406 1.00 0.00 WT1 O ATOM 13301 H1 TIP3 3822 -18.184 46.024 -4.506 1.00 0.00 WT1 H ATOM 13302 H2 TIP3 3822 1.996 2.262 4.371 1.00 0.00 WT1 H ATOM 13303 OH2 TIP3 3823 -0.596 1.250 0.779 1.00 0.00 WT1 O ATOM 13304 H1 TIP3 3823 -10.771 16.690 1.971 1.00 0.00 WT1 H ATOM 13305 H2 TIP3 3823 1.453 -19.149 -16.559 1.00 0.00 WT1 H ATOM 13306 OH2 TIP3 3825 1.383 0.733 -5.712 1.00 0.00 WT1 O ATOM 13307 H1 TIP3 3825 -5.696 11.542 0.013 1.00 0.00 WT1 H ATOM 13308 H2 TIP3 3825 15.448 2.347 -5.890 1.00 0.00 WT1 H ATOM 13309 OH2 TIP3 3826 0.075 1.992 6.286 1.00 0.00 WT1 O ATOM 13310 H1 TIP3 3826 26.326 12.577 1.836 1.00 0.00 WT1 H ATOM 13311 H2 TIP3 3826 -8.669 -7.498 -17.681 1.00 0.00 WT1 H ATOM 13312 OH2 TIP3 3827 1.756 -0.282 2.476 1.00 0.00 WT1 O ATOM 13313 H1 TIP3 3827 -36.282 11.646 10.632 1.00 0.00 WT1 H ATOM 13314 H2 TIP3 3827 10.327 -7.592 5.665 1.00 0.00 WT1 H ATOM 13315 OH2 TIP3 3828 3.268 1.854 -3.674 1.00 0.00 WT1 O ATOM 13316 H1 TIP3 3828 -16.560 -0.335 -12.656 1.00 0.00 WT1 H ATOM 13317 H2 TIP3 3828 0.040 4.824 -6.668 1.00 0.00 WT1 H ATOM 13318 OH2 TIP3 3829 0.225 -0.428 -7.206 1.00 0.00 WT1 O ATOM 13319 H1 TIP3 3829 6.145 -1.481 -23.241 1.00 0.00 WT1 H ATOM 13320 H2 TIP3 3829 -6.491 -0.600 17.215 1.00 0.00 WT1 H ATOM 13321 OH2 TIP3 3830 -4.429 2.410 0.973 1.00 0.00 WT1 O ATOM 13322 H1 TIP3 3830 -16.173 -1.529 -8.736 1.00 0.00 WT1 H ATOM 13323 H2 TIP3 3830 14.274 11.834 2.294 1.00 0.00 WT1 H ATOM 13324 OH2 TIP3 3832 -0.152 -3.044 2.269 1.00 0.00 WT1 O ATOM 13325 H1 TIP3 3832 3.443 -11.859 7.108 1.00 0.00 WT1 H ATOM 13326 H2 TIP3 3832 3.655 -1.874 -11.717 1.00 0.00 WT1 H ATOM 13327 OH2 TIP3 3833 6.369 5.106 1.430 1.00 0.00 WT1 O ATOM 13328 H1 TIP3 3833 1.924 -4.039 3.754 1.00 0.00 WT1 H ATOM 13329 H2 TIP3 3833 11.793 16.202 -2.778 1.00 0.00 WT1 H ATOM 13330 OH2 TIP3 3836 -2.357 -3.407 -0.970 1.00 0.00 WT1 O ATOM 13331 H1 TIP3 3836 -2.805 -13.578 -14.954 1.00 0.00 WT1 H ATOM 13332 H2 TIP3 3836 1.222 -5.930 -7.201 1.00 0.00 WT1 H ATOM 13333 OH2 TIP3 3837 0.908 -5.851 -2.482 1.00 0.00 WT1 O ATOM 13334 H1 TIP3 3837 5.226 -6.227 2.458 1.00 0.00 WT1 H ATOM 13335 H2 TIP3 3837 4.921 -10.537 0.295 1.00 0.00 WT1 H ATOM 13336 OH2 TIP3 3839 -1.238 8.027 3.639 1.00 0.00 WT1 O ATOM 13337 H1 TIP3 3839 -21.046 9.103 5.641 1.00 0.00 WT1 H ATOM 13338 H2 TIP3 3839 -10.604 -0.379 14.347 1.00 0.00 WT1 H ATOM 13339 OH2 TIP3 3841 -2.158 3.552 4.359 1.00 0.00 WT1 O ATOM 13340 H1 TIP3 3841 -6.364 10.116 42.827 1.00 0.00 WT1 H ATOM 13341 H2 TIP3 3841 -3.520 3.652 -1.195 1.00 0.00 WT1 H ATOM 13342 OH2 TIP3 3844 4.136 1.003 -2.367 1.00 0.00 WT1 O ATOM 13343 H1 TIP3 3844 -2.387 -10.086 -8.170 1.00 0.00 WT1 H ATOM 13344 H2 TIP3 3844 14.380 9.254 -14.844 1.00 0.00 WT1 H ATOM 13345 OH2 TIP3 3845 -1.218 -1.092 -5.812 1.00 0.00 WT1 O ATOM 13346 H1 TIP3 3845 1.205 15.222 0.237 1.00 0.00 WT1 H ATOM 13347 H2 TIP3 3845 -15.955 8.928 2.308 1.00 0.00 WT1 H ATOM 13348 OH2 TIP3 3846 -3.351 -0.453 3.895 1.00 0.00 WT1 O ATOM 13349 H1 TIP3 3846 10.354 -9.087 -14.932 1.00 0.00 WT1 H ATOM 13350 H2 TIP3 3846 1.412 25.815 6.797 1.00 0.00 WT1 H ATOM 13351 OH2 TIP3 3847 7.299 0.286 -6.734 1.00 0.00 WT1 O ATOM 13352 H1 TIP3 3847 -5.751 -4.183 15.896 1.00 0.00 WT1 H ATOM 13353 H2 TIP3 3847 1.055 17.240 -15.384 1.00 0.00 WT1 H ATOM 13354 OH2 TIP3 3848 -1.639 -2.148 -1.797 1.00 0.00 WT1 O ATOM 13355 H1 TIP3 3848 0.038 -2.442 -5.357 1.00 0.00 WT1 H ATOM 13356 H2 TIP3 3848 -9.576 -12.159 13.618 1.00 0.00 WT1 H ATOM 13357 OH2 TIP3 3849 -1.031 -4.310 0.958 1.00 0.00 WT1 O ATOM 13358 H1 TIP3 3849 -7.094 16.197 -14.648 1.00 0.00 WT1 H ATOM 13359 H2 TIP3 3849 11.524 -14.886 10.339 1.00 0.00 WT1 H ATOM 13360 OH2 TIP3 3851 -3.435 -5.280 0.331 1.00 0.00 WT1 O ATOM 13361 H1 TIP3 3851 -3.247 -3.480 0.428 1.00 0.00 WT1 H ATOM 13362 H2 TIP3 3851 -4.924 -7.870 0.261 1.00 0.00 WT1 H ATOM 13363 OH2 TIP3 3852 -5.858 -3.610 7.925 1.00 0.00 WT1 O ATOM 13364 H1 TIP3 3852 -3.351 -5.597 12.276 1.00 0.00 WT1 H ATOM 13365 H2 TIP3 3852 -14.284 8.731 9.910 1.00 0.00 WT1 H ATOM 13366 OH2 TIP3 3853 3.882 -3.364 10.767 1.00 0.00 WT1 O ATOM 13367 H1 TIP3 3853 -1.078 -20.978 20.123 1.00 0.00 WT1 H ATOM 13368 H2 TIP3 3853 38.495 -16.217 10.096 1.00 0.00 WT1 H ATOM 13369 OH2 TIP3 3854 3.409 7.125 3.380 1.00 0.00 WT1 O ATOM 13370 H1 TIP3 3854 -1.478 3.177 -12.855 1.00 0.00 WT1 H ATOM 13371 H2 TIP3 3854 -11.063 -0.296 -16.224 1.00 0.00 WT1 H ATOM 13372 OH2 TIP3 3856 1.270 4.244 3.840 1.00 0.00 WT1 O ATOM 13373 H1 TIP3 3856 0.814 2.156 9.088 1.00 0.00 WT1 H ATOM 13374 H2 TIP3 3856 -0.307 -1.996 0.935 1.00 0.00 WT1 H ATOM 13375 OH2 TIP3 3860 -2.391 -2.778 -8.671 1.00 0.00 WT1 O ATOM 13376 H1 TIP3 3860 -9.531 -4.416 -6.491 1.00 0.00 WT1 H ATOM 13377 H2 TIP3 3860 -22.694 -3.712 4.887 1.00 0.00 WT1 H ATOM 13378 OH2 TIP3 3863 -3.388 1.780 10.800 1.00 0.00 WT1 O ATOM 13379 H1 TIP3 3863 10.332 2.807 5.158 1.00 0.00 WT1 H ATOM 13380 H2 TIP3 3863 20.044 4.050 -7.990 1.00 0.00 WT1 H ATOM 13381 OH2 TIP3 3865 2.780 -1.198 0.509 1.00 0.00 WT1 O ATOM 13382 H1 TIP3 3865 1.004 -10.366 15.105 1.00 0.00 WT1 H ATOM 13383 H2 TIP3 3865 28.612 -0.563 1.804 1.00 0.00 WT1 H ATOM 13384 OH2 TIP3 3866 5.019 4.020 1.180 1.00 0.00 WT1 O ATOM 13385 H1 TIP3 3866 19.453 6.251 9.563 1.00 0.00 WT1 H ATOM 13386 H2 TIP3 3866 -9.555 -0.266 10.158 1.00 0.00 WT1 H ATOM 13387 OH2 TIP3 3867 1.556 -0.926 -3.507 1.00 0.00 WT1 O ATOM 13388 H1 TIP3 3867 1.708 -14.613 19.377 1.00 0.00 WT1 H ATOM 13389 H2 TIP3 3867 -13.412 -19.703 -13.951 1.00 0.00 WT1 H ATOM 13390 OH2 TIP3 3868 -3.840 3.667 3.320 1.00 0.00 WT1 O ATOM 13391 H1 TIP3 3868 4.975 -3.130 -8.607 1.00 0.00 WT1 H ATOM 13392 H2 TIP3 3868 -4.343 -2.742 3.258 1.00 0.00 WT1 H ATOM 13393 OH2 TIP3 3869 0.227 -2.705 -3.747 1.00 0.00 WT1 O ATOM 13394 H1 TIP3 3869 -5.174 -12.254 7.113 1.00 0.00 WT1 H ATOM 13395 H2 TIP3 3869 -9.789 2.432 -26.929 1.00 0.00 WT1 H ATOM 13396 OH2 TIP3 3870 -5.145 -0.705 -3.446 1.00 0.00 WT1 O ATOM 13397 H1 TIP3 3870 -22.384 -9.537 -10.710 1.00 0.00 WT1 H ATOM 13398 H2 TIP3 3870 8.062 5.386 6.404 1.00 0.00 WT1 H ATOM 13399 OH2 TIP3 3871 1.662 -4.496 2.476 1.00 0.00 WT1 O ATOM 13400 H1 TIP3 3871 0.607 -3.460 25.120 1.00 0.00 WT1 H ATOM 13401 H2 TIP3 3871 11.199 0.961 -13.613 1.00 0.00 WT1 H ATOM 13402 OH2 TIP3 3873 -6.037 -2.868 -7.975 1.00 0.00 WT1 O ATOM 13403 H1 TIP3 3873 -11.211 -0.425 5.402 1.00 0.00 WT1 H ATOM 13404 H2 TIP3 3873 -17.018 4.716 24.885 1.00 0.00 WT1 H ATOM 13405 OH2 TIP3 3875 3.434 4.639 -1.423 1.00 0.00 WT1 O ATOM 13406 H1 TIP3 3875 6.140 12.706 -22.793 1.00 0.00 WT1 H ATOM 13407 H2 TIP3 3875 8.299 -5.323 -1.335 1.00 0.00 WT1 H ATOM 13408 OH2 TIP3 3877 -2.780 4.743 -3.796 1.00 0.00 WT1 O ATOM 13409 H1 TIP3 3877 1.683 4.247 16.647 1.00 0.00 WT1 H ATOM 13410 H2 TIP3 3877 18.735 14.612 21.430 1.00 0.00 WT1 H ATOM 13411 OH2 TIP3 3882 0.056 -9.456 -4.528 1.00 0.00 WT1 O ATOM 13412 H1 TIP3 3882 1.008 -6.960 -8.956 1.00 0.00 WT1 H ATOM 13413 H2 TIP3 3882 2.701 -8.862 -0.305 1.00 0.00 WT1 H ATOM 13414 OH2 TIP3 3883 1.466 2.417 7.016 1.00 0.00 WT1 O ATOM 13415 H1 TIP3 3883 -9.782 3.678 -8.250 1.00 0.00 WT1 H ATOM 13416 H2 TIP3 3883 -10.103 11.211 0.481 1.00 0.00 WT1 H ATOM 13417 OH2 TIP3 3885 -3.309 -5.617 -7.508 1.00 0.00 WT1 O ATOM 13418 H1 TIP3 3885 0.095 -3.906 0.594 1.00 0.00 WT1 H ATOM 13419 H2 TIP3 3885 -4.810 -3.634 -6.388 1.00 0.00 WT1 H ATOM 13420 OH2 TIP3 3886 -4.595 -0.106 6.681 1.00 0.00 WT1 O ATOM 13421 H1 TIP3 3886 -5.308 3.128 10.797 1.00 0.00 WT1 H ATOM 13422 H2 TIP3 3886 -4.772 -1.490 5.401 1.00 0.00 WT1 H ATOM 13423 OH2 TIP3 3888 -5.605 5.690 -1.649 1.00 0.00 WT1 O ATOM 13424 H1 TIP3 3888 3.365 -3.998 -3.286 1.00 0.00 WT1 H ATOM 13425 H2 TIP3 3888 -14.678 1.799 3.584 1.00 0.00 WT1 H ATOM 13426 OH2 TIP3 3889 -5.656 -0.755 3.341 1.00 0.00 WT1 O ATOM 13427 H1 TIP3 3889 -5.616 4.577 -4.424 1.00 0.00 WT1 H ATOM 13428 H2 TIP3 3889 9.167 -12.921 -9.044 1.00 0.00 WT1 H ATOM 13429 OH2 TIP3 3890 0.332 2.674 1.332 1.00 0.00 WT1 O ATOM 13430 H1 TIP3 3890 -2.523 4.386 -9.851 1.00 0.00 WT1 H ATOM 13431 H2 TIP3 3890 5.714 -6.822 20.744 1.00 0.00 WT1 H ATOM 13432 OH2 TIP3 3891 1.559 0.255 -1.058 1.00 0.00 WT1 O ATOM 13433 H1 TIP3 3891 -7.508 -6.005 2.700 1.00 0.00 WT1 H ATOM 13434 H2 TIP3 3891 -4.549 2.423 2.231 1.00 0.00 WT1 H ATOM 13435 OH2 TIP3 3892 -4.218 7.482 -0.033 1.00 0.00 WT1 O ATOM 13436 H1 TIP3 3892 -20.002 7.475 -5.529 1.00 0.00 WT1 H ATOM 13437 H2 TIP3 3892 -16.879 12.298 0.614 1.00 0.00 WT1 H ATOM 13438 OH2 TIP3 3896 -6.768 -0.370 -1.109 1.00 0.00 WT1 O ATOM 13439 H1 TIP3 3896 14.278 12.759 0.544 1.00 0.00 WT1 H ATOM 13440 H2 TIP3 3896 -13.677 -2.736 -1.893 1.00 0.00 WT1 H ATOM 13441 OH2 TIP3 3898 -1.644 -0.636 -2.425 1.00 0.00 WT1 O ATOM 13442 H1 TIP3 3898 20.537 8.274 8.362 1.00 0.00 WT1 H ATOM 13443 H2 TIP3 3898 16.297 8.666 3.822 1.00 0.00 WT1 H ATOM 13444 OH2 TIP3 3899 -1.014 2.157 -1.771 1.00 0.00 WT1 O ATOM 13445 H1 TIP3 3899 0.304 15.619 18.602 1.00 0.00 WT1 H ATOM 13446 H2 TIP3 3899 -9.000 18.508 -17.373 1.00 0.00 WT1 H ATOM 13447 OH2 TIP3 3900 0.746 4.549 -4.108 1.00 0.00 WT1 O ATOM 13448 H1 TIP3 3900 2.336 -6.636 -8.544 1.00 0.00 WT1 H ATOM 13449 H2 TIP3 3900 2.802 -7.334 1.980 1.00 0.00 WT1 H ATOM 13450 OH2 TIP3 3903 -5.090 -1.306 -0.080 1.00 0.00 WT1 O ATOM 13451 H1 TIP3 3903 -17.225 -10.488 16.827 1.00 0.00 WT1 H ATOM 13452 H2 TIP3 3903 -4.038 0.587 -1.486 1.00 0.00 WT1 H ATOM 13453 OH2 TIP3 3906 2.022 0.531 -3.189 1.00 0.00 WT1 O ATOM 13454 H1 TIP3 3906 6.134 -8.195 4.021 1.00 0.00 WT1 H ATOM 13455 H2 TIP3 3906 -2.448 4.006 -5.839 1.00 0.00 WT1 H ATOM 13456 OH2 TIP3 3907 6.573 4.600 -1.172 1.00 0.00 WT1 O ATOM 13457 H1 TIP3 3907 8.837 3.653 -11.704 1.00 0.00 WT1 H ATOM 13458 H2 TIP3 3907 5.828 -5.591 3.665 1.00 0.00 WT1 H ATOM 13459 OH2 TIP3 3908 0.124 7.008 4.495 1.00 0.00 WT1 O ATOM 13460 H1 TIP3 3908 26.891 0.507 -40.643 1.00 0.00 WT1 H ATOM 13461 H2 TIP3 3908 4.943 2.381 -10.842 1.00 0.00 WT1 H ATOM 13462 OH2 TIP3 3909 -1.873 4.863 12.339 1.00 0.00 WT1 O ATOM 13463 H1 TIP3 3909 7.016 33.936 25.820 1.00 0.00 WT1 H ATOM 13464 H2 TIP3 3909 8.416 3.077 -14.389 1.00 0.00 WT1 H ATOM 13465 OH2 TIP3 3910 -7.422 4.159 -6.545 1.00 0.00 WT1 O ATOM 13466 H1 TIP3 3910 -10.335 18.345 -4.485 1.00 0.00 WT1 H ATOM 13467 H2 TIP3 3910 -3.766 -15.536 -11.233 1.00 0.00 WT1 H ATOM 13468 OH2 TIP3 3912 0.945 -4.935 -7.081 1.00 0.00 WT1 O ATOM 13469 H1 TIP3 3912 -14.402 7.528 -19.517 1.00 0.00 WT1 H ATOM 13470 H2 TIP3 3912 4.482 14.621 -0.108 1.00 0.00 WT1 H ATOM 13471 OH2 TIP3 3913 6.362 -2.072 5.128 1.00 0.00 WT1 O ATOM 13472 H1 TIP3 3913 13.933 6.582 -2.937 1.00 0.00 WT1 H ATOM 13473 H2 TIP3 3913 -5.159 -21.686 -3.417 1.00 0.00 WT1 H ATOM 13474 OH2 TIP3 3916 1.738 -4.057 -1.436 1.00 0.00 WT1 O ATOM 13475 H1 TIP3 3916 1.188 -4.035 -3.903 1.00 0.00 WT1 H ATOM 13476 H2 TIP3 3916 -4.443 -4.065 -7.519 1.00 0.00 WT1 H ATOM 13477 OH2 TIP3 3918 1.487 -1.235 0.917 1.00 0.00 WT1 O ATOM 13478 H1 TIP3 3918 15.081 -7.566 -5.413 1.00 0.00 WT1 H ATOM 13479 H2 TIP3 3918 7.975 0.715 18.745 1.00 0.00 WT1 H ATOM 13480 OH2 TIP3 3919 1.523 0.189 -3.344 1.00 0.00 WT1 O ATOM 13481 H1 TIP3 3919 -2.838 -6.374 6.525 1.00 0.00 WT1 H ATOM 13482 H2 TIP3 3919 -32.446 -24.211 7.813 1.00 0.00 WT1 H ATOM 13483 OH2 TIP3 3924 -2.163 2.659 -1.213 1.00 0.00 WT1 O ATOM 13484 H1 TIP3 3924 -7.915 2.098 16.372 1.00 0.00 WT1 H ATOM 13485 H2 TIP3 3924 6.118 -14.570 -1.876 1.00 0.00 WT1 H ATOM 13486 OH2 TIP3 3925 -0.455 -3.605 3.443 1.00 0.00 WT1 O ATOM 13487 H1 TIP3 3925 13.164 17.608 -9.291 1.00 0.00 WT1 H ATOM 13488 H2 TIP3 3925 -9.731 1.714 -6.373 1.00 0.00 WT1 H ATOM 13489 OH2 TIP3 3926 -0.169 -3.171 3.246 1.00 0.00 WT1 O ATOM 13490 H1 TIP3 3926 -12.929 -33.051 -3.294 1.00 0.00 WT1 H ATOM 13491 H2 TIP3 3926 2.133 9.030 -23.949 1.00 0.00 WT1 H ATOM 13492 OH2 TIP3 3928 -5.757 -2.386 4.173 1.00 0.00 WT1 O ATOM 13493 H1 TIP3 3928 -24.426 -13.809 15.346 1.00 0.00 WT1 H ATOM 13494 H2 TIP3 3928 -5.956 27.286 3.471 1.00 0.00 WT1 H ATOM 13495 OH2 TIP3 3929 1.734 -0.675 2.671 1.00 0.00 WT1 O ATOM 13496 H1 TIP3 3929 -3.344 -7.184 8.851 1.00 0.00 WT1 H ATOM 13497 H2 TIP3 3929 26.319 -2.424 -17.714 1.00 0.00 WT1 H ATOM 13498 OH2 TIP3 3930 -1.818 0.879 -2.498 1.00 0.00 WT1 O ATOM 13499 H1 TIP3 3930 -14.820 -16.212 -7.536 1.00 0.00 WT1 H ATOM 13500 H2 TIP3 3930 10.509 16.303 2.243 1.00 0.00 WT1 H ATOM 13501 OH2 TIP3 3931 -8.671 3.790 -2.725 1.00 0.00 WT1 O ATOM 13502 H1 TIP3 3931 18.397 5.566 -24.767 1.00 0.00 WT1 H ATOM 13503 H2 TIP3 3931 6.565 -17.611 -4.150 1.00 0.00 WT1 H ATOM 13504 OH2 TIP3 3932 2.926 -0.341 -4.457 1.00 0.00 WT1 O ATOM 13505 H1 TIP3 3932 9.053 11.292 -20.340 1.00 0.00 WT1 H ATOM 13506 H2 TIP3 3932 -24.542 1.063 6.205 1.00 0.00 WT1 H ATOM 13507 OH2 TIP3 3933 1.633 -1.355 -4.373 1.00 0.00 WT1 O ATOM 13508 H1 TIP3 3933 -0.383 6.603 -8.657 1.00 0.00 WT1 H ATOM 13509 H2 TIP3 3933 1.719 -3.383 -8.190 1.00 0.00 WT1 H ATOM 13510 OH2 TIP3 3934 -1.874 -0.334 -5.087 1.00 0.00 WT1 O ATOM 13511 H1 TIP3 3934 21.454 -9.489 -18.279 1.00 0.00 WT1 H ATOM 13512 H2 TIP3 3934 -0.715 -11.618 -21.092 1.00 0.00 WT1 H ATOM 13513 OH2 TIP3 3935 -2.612 -0.451 6.241 1.00 0.00 WT1 O ATOM 13514 H1 TIP3 3935 13.165 4.977 10.140 1.00 0.00 WT1 H ATOM 13515 H2 TIP3 3935 -11.462 -10.034 -4.078 1.00 0.00 WT1 H ATOM 13516 OH2 TIP3 3938 -2.658 -4.458 -1.527 1.00 0.00 WT1 O ATOM 13517 H1 TIP3 3938 11.113 12.500 37.065 1.00 0.00 WT1 H ATOM 13518 H2 TIP3 3938 -10.756 -18.232 -16.186 1.00 0.00 WT1 H ATOM 13519 OH2 TIP3 3943 -6.357 -3.798 -3.434 1.00 0.00 WT1 O ATOM 13520 H1 TIP3 3943 1.986 0.823 12.723 1.00 0.00 WT1 H ATOM 13521 H2 TIP3 3943 1.736 -16.136 -9.933 1.00 0.00 WT1 H ATOM 13522 OH2 TIP3 3949 2.612 5.954 0.789 1.00 0.00 WT1 O ATOM 13523 H1 TIP3 3949 14.609 -29.170 0.732 1.00 0.00 WT1 H ATOM 13524 H2 TIP3 3949 7.781 7.985 3.104 1.00 0.00 WT1 H ATOM 13525 OH2 TIP3 3950 -6.783 2.431 3.285 1.00 0.00 WT1 O ATOM 13526 H1 TIP3 3950 -5.257 -3.647 31.430 1.00 0.00 WT1 H ATOM 13527 H2 TIP3 3950 -9.313 -2.066 -4.184 1.00 0.00 WT1 H ATOM 13528 OH2 TIP3 3951 4.476 5.746 7.501 1.00 0.00 WT1 O ATOM 13529 H1 TIP3 3951 -5.618 3.785 9.767 1.00 0.00 WT1 H ATOM 13530 H2 TIP3 3951 5.752 9.833 -4.400 1.00 0.00 WT1 H ATOM 13531 OH2 TIP3 3953 -5.139 0.731 4.258 1.00 0.00 WT1 O ATOM 13532 H1 TIP3 3953 -2.381 -13.269 1.335 1.00 0.00 WT1 H ATOM 13533 H2 TIP3 3953 -2.512 -16.896 2.672 1.00 0.00 WT1 H ATOM 13534 OH2 TIP3 3954 -4.868 5.085 -8.025 1.00 0.00 WT1 O ATOM 13535 H1 TIP3 3954 10.537 12.543 -19.957 1.00 0.00 WT1 H ATOM 13536 H2 TIP3 3954 -11.544 3.486 1.039 1.00 0.00 WT1 H ATOM 13537 OH2 TIP3 3955 6.042 2.596 -0.127 1.00 0.00 WT1 O ATOM 13538 H1 TIP3 3955 -0.068 -18.577 1.865 1.00 0.00 WT1 H ATOM 13539 H2 TIP3 3955 -13.236 12.242 -3.094 1.00 0.00 WT1 H ATOM 13540 OH2 TIP3 3956 0.420 -3.477 4.881 1.00 0.00 WT1 O ATOM 13541 H1 TIP3 3956 -10.718 -4.298 -8.553 1.00 0.00 WT1 H ATOM 13542 H2 TIP3 3956 8.842 -1.923 8.647 1.00 0.00 WT1 H ATOM 13543 OH2 TIP3 3957 1.549 -3.394 -0.686 1.00 0.00 WT1 O ATOM 13544 H1 TIP3 3957 -26.145 -0.261 -4.889 1.00 0.00 WT1 H ATOM 13545 H2 TIP3 3957 -17.274 1.558 -0.146 1.00 0.00 WT1 H ATOM 13546 OH2 TIP3 3962 4.237 -5.180 0.470 1.00 0.00 WT1 O ATOM 13547 H1 TIP3 3962 3.541 -0.142 -2.092 1.00 0.00 WT1 H ATOM 13548 H2 TIP3 3962 -3.502 3.195 2.636 1.00 0.00 WT1 H ATOM 13549 OH2 TIP3 3964 7.894 5.391 2.842 1.00 0.00 WT1 O ATOM 13550 H1 TIP3 3964 22.284 12.384 38.797 1.00 0.00 WT1 H ATOM 13551 H2 TIP3 3964 3.693 11.106 31.379 1.00 0.00 WT1 H ATOM 13552 OH2 TIP3 3965 -1.591 5.239 10.390 1.00 0.00 WT1 O ATOM 13553 H1 TIP3 3965 -9.637 -11.843 -15.956 1.00 0.00 WT1 H ATOM 13554 H2 TIP3 3965 -0.149 6.897 -12.847 1.00 0.00 WT1 H ATOM 13555 OH2 TIP3 3966 -8.204 8.606 0.716 1.00 0.00 WT1 O ATOM 13556 H1 TIP3 3966 -12.582 4.394 -5.577 1.00 0.00 WT1 H ATOM 13557 H2 TIP3 3966 9.231 13.895 -1.261 1.00 0.00 WT1 H ATOM 13558 OH2 TIP3 3967 2.345 3.124 -4.720 1.00 0.00 WT1 O ATOM 13559 H1 TIP3 3967 4.030 3.667 -2.239 1.00 0.00 WT1 H ATOM 13560 H2 TIP3 3967 0.214 3.711 -3.887 1.00 0.00 WT1 H ATOM 13561 OH2 TIP3 3968 3.950 2.550 0.421 1.00 0.00 WT1 O ATOM 13562 H1 TIP3 3968 15.542 -7.648 -9.383 1.00 0.00 WT1 H ATOM 13563 H2 TIP3 3968 4.126 6.895 1.678 1.00 0.00 WT1 H ATOM 13564 OH2 TIP3 3971 3.067 -0.806 -8.366 1.00 0.00 WT1 O ATOM 13565 H1 TIP3 3971 4.573 -4.772 0.154 1.00 0.00 WT1 H ATOM 13566 H2 TIP3 3971 10.933 -9.640 6.962 1.00 0.00 WT1 H ATOM 13567 OH2 TIP3 3972 0.703 3.468 -2.475 1.00 0.00 WT1 O ATOM 13568 H1 TIP3 3972 0.020 4.861 -7.163 1.00 0.00 WT1 H ATOM 13569 H2 TIP3 3972 0.301 8.178 8.279 1.00 0.00 WT1 H ATOM 13570 OH2 TIP3 3973 1.137 -5.948 -2.341 1.00 0.00 WT1 O ATOM 13571 H1 TIP3 3973 13.980 12.081 -7.623 1.00 0.00 WT1 H ATOM 13572 H2 TIP3 3973 20.365 18.547 -7.853 1.00 0.00 WT1 H ATOM 13573 OH2 TIP3 3974 0.804 3.870 7.244 1.00 0.00 WT1 O ATOM 13574 H1 TIP3 3974 -7.505 9.890 4.396 1.00 0.00 WT1 H ATOM 13575 H2 TIP3 3974 -0.097 5.443 -2.648 1.00 0.00 WT1 H ATOM 13576 OH2 TIP3 3975 3.823 5.430 3.704 1.00 0.00 WT1 O ATOM 13577 H1 TIP3 3975 8.801 1.306 4.997 1.00 0.00 WT1 H ATOM 13578 H2 TIP3 3975 4.169 8.988 0.785 1.00 0.00 WT1 H ATOM 13579 OH2 TIP3 3976 -1.031 7.008 2.320 1.00 0.00 WT1 O ATOM 13580 H1 TIP3 3976 8.042 3.969 5.642 1.00 0.00 WT1 H ATOM 13581 H2 TIP3 3976 15.976 0.227 5.210 1.00 0.00 WT1 H ATOM 13582 OH2 TIP3 3977 -0.674 4.101 -7.485 1.00 0.00 WT1 O ATOM 13583 H1 TIP3 3977 -5.550 -3.031 1.076 1.00 0.00 WT1 H ATOM 13584 H2 TIP3 3977 -31.822 -18.296 -6.441 1.00 0.00 WT1 H ATOM 13585 OH2 TIP3 3978 -3.668 -3.491 4.785 1.00 0.00 WT1 O ATOM 13586 H1 TIP3 3978 -2.640 7.990 0.101 1.00 0.00 WT1 H ATOM 13587 H2 TIP3 3978 -7.192 -29.650 14.075 1.00 0.00 WT1 H ATOM 13588 OH2 TIP3 3982 -6.311 -1.784 2.215 1.00 0.00 WT1 O ATOM 13589 H1 TIP3 3982 -20.885 12.851 24.426 1.00 0.00 WT1 H ATOM 13590 H2 TIP3 3982 4.017 -16.791 21.083 1.00 0.00 WT1 H ATOM 13591 OH2 TIP3 3983 -2.298 -0.069 0.024 1.00 0.00 WT1 O ATOM 13592 H1 TIP3 3983 2.598 7.317 0.436 1.00 0.00 WT1 H ATOM 13593 H2 TIP3 3983 -8.957 0.062 -7.909 1.00 0.00 WT1 H ATOM 13594 OH2 TIP3 3985 -2.520 3.090 3.070 1.00 0.00 WT1 O ATOM 13595 H1 TIP3 3985 1.431 14.323 2.346 1.00 0.00 WT1 H ATOM 13596 H2 TIP3 3985 -0.686 8.650 -3.329 1.00 0.00 WT1 H ATOM 13597 OH2 TIP3 3986 2.740 2.566 -0.968 1.00 0.00 WT1 O ATOM 13598 H1 TIP3 3986 -7.876 3.270 1.407 1.00 0.00 WT1 H ATOM 13599 H2 TIP3 3986 3.833 3.339 8.747 1.00 0.00 WT1 H ATOM 13600 OH2 TIP3 3988 -3.192 5.207 -4.901 1.00 0.00 WT1 O ATOM 13601 H1 TIP3 3988 38.208 -13.555 -3.713 1.00 0.00 WT1 H ATOM 13602 H2 TIP3 3988 21.894 20.551 -29.496 1.00 0.00 WT1 H ATOM 13603 OH2 TIP3 3989 3.182 2.608 -2.550 1.00 0.00 WT1 O ATOM 13604 H1 TIP3 3989 13.892 3.475 8.501 1.00 0.00 WT1 H ATOM 13605 H2 TIP3 3989 6.896 -9.911 -14.191 1.00 0.00 WT1 H ATOM 13606 OH2 TIP3 3990 0.389 0.216 0.853 1.00 0.00 WT1 O ATOM 13607 H1 TIP3 3990 -6.970 16.514 11.299 1.00 0.00 WT1 H ATOM 13608 H2 TIP3 3990 -6.921 -17.902 4.539 1.00 0.00 WT1 H ATOM 13609 OH2 TIP3 3991 -2.435 -6.581 2.228 1.00 0.00 WT1 O ATOM 13610 H1 TIP3 3991 -6.977 -7.944 -3.305 1.00 0.00 WT1 H ATOM 13611 H2 TIP3 3991 -3.441 5.229 22.409 1.00 0.00 WT1 H ATOM 13612 OH2 TIP3 3992 0.148 -4.158 -1.271 1.00 0.00 WT1 O ATOM 13613 H1 TIP3 3992 -1.526 -6.499 -3.043 1.00 0.00 WT1 H ATOM 13614 H2 TIP3 3992 2.173 2.289 -1.027 1.00 0.00 WT1 H ATOM 13615 OH2 TIP3 3993 8.616 -1.280 -0.698 1.00 0.00 WT1 O ATOM 13616 H1 TIP3 3993 7.425 -8.207 -10.490 1.00 0.00 WT1 H ATOM 13617 H2 TIP3 3993 5.695 9.458 4.558 1.00 0.00 WT1 H ATOM 13618 OH2 TIP3 3995 -0.009 6.533 2.954 1.00 0.00 WT1 O ATOM 13619 H1 TIP3 3995 1.408 -0.794 2.744 1.00 0.00 WT1 H ATOM 13620 H2 TIP3 3995 0.404 9.405 2.536 1.00 0.00 WT1 H ATOM 13621 OH2 TIP3 3996 0.486 -6.008 -7.850 1.00 0.00 WT1 O ATOM 13622 H1 TIP3 3996 3.975 6.026 -13.495 1.00 0.00 WT1 H ATOM 13623 H2 TIP3 3996 -5.334 -10.969 -5.140 1.00 0.00 WT1 H ATOM 13624 OH2 TIP3 3997 -1.409 -5.325 3.821 1.00 0.00 WT1 O ATOM 13625 H1 TIP3 3997 12.192 8.390 -2.498 1.00 0.00 WT1 H ATOM 13626 H2 TIP3 3997 17.195 4.845 -6.486 1.00 0.00 WT1 H ATOM 13627 OH2 TIP3 3998 1.870 -4.130 -2.023 1.00 0.00 WT1 O ATOM 13628 H1 TIP3 3998 -16.028 -6.694 5.635 1.00 0.00 WT1 H ATOM 13629 H2 TIP3 3998 -12.018 -3.561 0.461 1.00 0.00 WT1 H ATOM 13630 OH2 TIP3 3999 4.732 -5.554 -5.929 1.00 0.00 WT1 O ATOM 13631 H1 TIP3 3999 -6.985 -14.951 -7.873 1.00 0.00 WT1 H ATOM 13632 H2 TIP3 3999 14.141 -14.394 -31.211 1.00 0.00 WT1 H ATOM 13633 OH2 TIP3 4000 4.265 2.424 2.382 1.00 0.00 WT1 O ATOM 13634 H1 TIP3 4000 -13.261 5.362 0.689 1.00 0.00 WT1 H ATOM 13635 H2 TIP3 4000 -18.567 6.936 1.663 1.00 0.00 WT1 H ATOM 13636 OH2 TIP3 4002 1.081 8.102 5.231 1.00 0.00 WT1 O ATOM 13637 H1 TIP3 4002 -11.927 -2.568 5.994 1.00 0.00 WT1 H ATOM 13638 H2 TIP3 4002 -9.191 18.966 6.575 1.00 0.00 WT1 H ATOM 13639 OH2 TIP3 4004 1.603 0.672 -2.631 1.00 0.00 WT1 O ATOM 13640 H1 TIP3 4004 8.808 0.312 -4.093 1.00 0.00 WT1 H ATOM 13641 H2 TIP3 4004 -27.266 -13.833 13.254 1.00 0.00 WT1 H ATOM 13642 OH2 TIP3 4005 -0.703 3.047 3.433 1.00 0.00 WT1 O ATOM 13643 H1 TIP3 4005 -2.322 -1.291 -2.616 1.00 0.00 WT1 H ATOM 13644 H2 TIP3 4005 4.770 8.157 -0.415 1.00 0.00 WT1 H ATOM 13645 OH2 TIP3 4006 -5.018 1.527 -5.516 1.00 0.00 WT1 O ATOM 13646 H1 TIP3 4006 2.253 8.884 -6.716 1.00 0.00 WT1 H ATOM 13647 H2 TIP3 4006 16.933 14.985 -25.836 1.00 0.00 WT1 H ATOM 13648 OH2 TIP3 4007 -2.064 -0.145 4.283 1.00 0.00 WT1 O ATOM 13649 H1 TIP3 4007 -15.333 -3.254 10.437 1.00 0.00 WT1 H ATOM 13650 H2 TIP3 4007 9.113 -0.451 -6.176 1.00 0.00 WT1 H ATOM 13651 OH2 TIP3 4008 2.055 2.020 -0.024 1.00 0.00 WT1 O ATOM 13652 H1 TIP3 4008 0.213 2.702 -3.872 1.00 0.00 WT1 H ATOM 13653 H2 TIP3 4008 2.336 0.675 -2.158 1.00 0.00 WT1 H ATOM 13654 OH2 TIP3 4009 4.384 0.274 1.295 1.00 0.00 WT1 O ATOM 13655 H1 TIP3 4009 -0.151 7.053 31.693 1.00 0.00 WT1 H ATOM 13656 H2 TIP3 4009 12.230 12.300 27.919 1.00 0.00 WT1 H ATOM 13657 OH2 TIP3 4010 2.647 -1.920 3.761 1.00 0.00 WT1 O ATOM 13658 H1 TIP3 4010 -8.058 18.947 -5.115 1.00 0.00 WT1 H ATOM 13659 H2 TIP3 4010 -13.258 -3.770 12.634 1.00 0.00 WT1 H ATOM 13660 OH2 TIP3 4011 -3.275 -2.317 -4.490 1.00 0.00 WT1 O ATOM 13661 H1 TIP3 4011 -6.896 6.222 -2.181 1.00 0.00 WT1 H ATOM 13662 H2 TIP3 4011 10.135 0.147 -17.204 1.00 0.00 WT1 H ATOM 13663 OH2 TIP3 4012 0.732 1.814 4.691 1.00 0.00 WT1 O ATOM 13664 H1 TIP3 4012 4.377 13.385 3.156 1.00 0.00 WT1 H ATOM 13665 H2 TIP3 4012 -4.070 -19.996 6.731 1.00 0.00 WT1 H ATOM 13666 OH2 TIP3 4013 2.625 -7.785 -1.431 1.00 0.00 WT1 O ATOM 13667 H1 TIP3 4013 3.844 -7.099 -2.213 1.00 0.00 WT1 H ATOM 13668 H2 TIP3 4013 -9.233 -9.563 2.191 1.00 0.00 WT1 H ATOM 13669 OH2 TIP3 4014 -4.938 -2.808 3.913 1.00 0.00 WT1 O ATOM 13670 H1 TIP3 4014 -2.277 6.497 4.301 1.00 0.00 WT1 H ATOM 13671 H2 TIP3 4014 10.294 4.236 11.314 1.00 0.00 WT1 H ATOM 13672 OH2 TIP3 4015 -8.086 -13.112 -4.126 1.00 0.00 WT1 O ATOM 13673 H1 TIP3 4015 7.896 1.086 -19.067 1.00 0.00 WT1 H ATOM 13674 H2 TIP3 4015 -2.539 -9.328 -10.277 1.00 0.00 WT1 H ATOM 13675 OH2 TIP3 4016 -4.766 -8.122 -6.106 1.00 0.00 WT1 O ATOM 13676 H1 TIP3 4016 8.215 -10.498 -28.634 1.00 0.00 WT1 H ATOM 13677 H2 TIP3 4016 -11.410 -2.716 11.118 1.00 0.00 WT1 H ATOM 13678 OH2 TIP3 4017 -0.767 -5.651 0.247 1.00 0.00 WT1 O ATOM 13679 H1 TIP3 4017 2.941 2.404 -10.857 1.00 0.00 WT1 H ATOM 13680 H2 TIP3 4017 -4.841 -14.259 13.197 1.00 0.00 WT1 H ATOM 13681 OH2 TIP3 4018 -3.842 -7.732 5.096 1.00 0.00 WT1 O ATOM 13682 H1 TIP3 4018 18.735 6.995 6.319 1.00 0.00 WT1 H ATOM 13683 H2 TIP3 4018 -29.226 -11.759 -3.014 1.00 0.00 WT1 H ATOM 13684 OH2 TIP3 4019 -9.167 -3.451 5.380 1.00 0.00 WT1 O ATOM 13685 H1 TIP3 4019 24.753 5.924 -9.717 1.00 0.00 WT1 H ATOM 13686 H2 TIP3 4019 -21.606 5.129 1.049 1.00 0.00 WT1 H ATOM 13687 OH2 TIP3 4020 3.375 1.266 -3.589 1.00 0.00 WT1 O ATOM 13688 H1 TIP3 4020 -4.517 4.184 9.862 1.00 0.00 WT1 H ATOM 13689 H2 TIP3 4020 -8.415 7.236 -6.711 1.00 0.00 WT1 H ATOM 13690 OH2 TIP3 4021 0.085 1.710 -2.649 1.00 0.00 WT1 O ATOM 13691 H1 TIP3 4021 -10.275 3.168 -5.522 1.00 0.00 WT1 H ATOM 13692 H2 TIP3 4021 1.601 -4.830 -5.744 1.00 0.00 WT1 H ATOM 13693 OH2 TIP3 4022 -2.038 -3.509 3.386 1.00 0.00 WT1 O ATOM 13694 H1 TIP3 4022 -7.460 1.988 -15.041 1.00 0.00 WT1 H ATOM 13695 H2 TIP3 4022 3.411 -12.448 -18.989 1.00 0.00 WT1 H ATOM 13696 OH2 TIP3 4023 -0.040 -1.310 -1.194 1.00 0.00 WT1 O ATOM 13697 H1 TIP3 4023 -4.886 -14.081 7.032 1.00 0.00 WT1 H ATOM 13698 H2 TIP3 4023 -3.460 -4.825 -13.236 1.00 0.00 WT1 H ATOM 13699 OH2 TIP3 4025 -3.660 7.260 -3.278 1.00 0.00 WT1 O ATOM 13700 H1 TIP3 4025 -20.735 -28.079 9.662 1.00 0.00 WT1 H ATOM 13701 H2 TIP3 4025 -2.225 11.626 -10.075 1.00 0.00 WT1 H ATOM 13702 OH2 TIP3 4026 -2.454 -8.882 0.714 1.00 0.00 WT1 O ATOM 13703 H1 TIP3 4026 1.663 -15.239 -4.334 1.00 0.00 WT1 H ATOM 13704 H2 TIP3 4026 -2.636 -10.628 5.179 1.00 0.00 WT1 H ATOM 13705 OH2 TIP3 4027 3.925 7.946 6.531 1.00 0.00 WT1 O ATOM 13706 H1 TIP3 4027 6.257 5.341 3.408 1.00 0.00 WT1 H ATOM 13707 H2 TIP3 4027 13.218 10.789 12.298 1.00 0.00 WT1 H ATOM 13708 OH2 TIP3 4028 0.855 0.015 -1.013 1.00 0.00 WT1 O ATOM 13709 H1 TIP3 4028 -2.930 -10.595 -7.313 1.00 0.00 WT1 H ATOM 13710 H2 TIP3 4028 13.438 -6.483 10.586 1.00 0.00 WT1 H ATOM 13711 OH2 TIP3 4029 -7.693 0.356 -1.868 1.00 0.00 WT1 O ATOM 13712 H1 TIP3 4029 -17.359 -2.233 -8.240 1.00 0.00 WT1 H ATOM 13713 H2 TIP3 4029 -14.786 10.865 2.594 1.00 0.00 WT1 H ATOM 13714 OH2 TIP3 4030 -5.007 0.868 3.637 1.00 0.00 WT1 O ATOM 13715 H1 TIP3 4030 14.730 -7.358 -32.187 1.00 0.00 WT1 H ATOM 13716 H2 TIP3 4030 11.413 12.148 28.165 1.00 0.00 WT1 H ATOM 13717 OH2 TIP3 4031 -1.866 0.977 8.218 1.00 0.00 WT1 O ATOM 13718 H1 TIP3 4031 0.456 4.160 0.671 1.00 0.00 WT1 H ATOM 13719 H2 TIP3 4031 -5.314 1.313 5.921 1.00 0.00 WT1 H ATOM 13720 OH2 TIP3 4032 3.508 -5.920 -2.195 1.00 0.00 WT1 O ATOM 13721 H1 TIP3 4032 28.451 0.269 12.634 1.00 0.00 WT1 H ATOM 13722 H2 TIP3 4032 -4.893 24.637 -0.422 1.00 0.00 WT1 H ATOM 13723 OH2 TIP3 4033 1.334 7.365 1.418 1.00 0.00 WT1 O ATOM 13724 H1 TIP3 4033 18.465 -7.918 -5.738 1.00 0.00 WT1 H ATOM 13725 H2 TIP3 4033 10.361 4.756 -2.144 1.00 0.00 WT1 H ATOM 13726 OH2 TIP3 4034 -7.947 -0.475 3.003 1.00 0.00 WT1 O ATOM 13727 H1 TIP3 4034 -25.498 8.863 26.084 1.00 0.00 WT1 H ATOM 13728 H2 TIP3 4034 -15.895 19.971 14.176 1.00 0.00 WT1 H ATOM 13729 OH2 TIP3 4035 -1.635 -1.780 -6.869 1.00 0.00 WT1 O ATOM 13730 H1 TIP3 4035 -4.561 13.691 12.189 1.00 0.00 WT1 H ATOM 13731 H2 TIP3 4035 -8.678 -26.035 7.872 1.00 0.00 WT1 H ATOM 13732 OH2 TIP3 4036 1.975 -4.452 -5.479 1.00 0.00 WT1 O ATOM 13733 H1 TIP3 4036 7.908 16.149 -23.048 1.00 0.00 WT1 H ATOM 13734 H2 TIP3 4036 13.856 -8.448 -3.792 1.00 0.00 WT1 H ATOM 13735 OH2 TIP3 4037 -6.944 8.851 -3.444 1.00 0.00 WT1 O ATOM 13736 H1 TIP3 4037 3.304 19.302 2.815 1.00 0.00 WT1 H ATOM 13737 H2 TIP3 4037 3.427 2.082 -2.416 1.00 0.00 WT1 H ATOM 13738 OH2 TIP3 4039 -2.702 -2.950 -3.782 1.00 0.00 WT1 O ATOM 13739 H1 TIP3 4039 -7.581 6.230 -2.365 1.00 0.00 WT1 H ATOM 13740 H2 TIP3 4039 0.691 11.998 -6.065 1.00 0.00 WT1 H ATOM 13741 OH2 TIP3 4040 -6.299 3.644 -3.831 1.00 0.00 WT1 O ATOM 13742 H1 TIP3 4040 -18.043 -4.191 -8.797 1.00 0.00 WT1 H ATOM 13743 H2 TIP3 4040 -7.270 0.488 -1.359 1.00 0.00 WT1 H ATOM 13744 OH2 TIP3 4041 3.506 -10.793 -2.476 1.00 0.00 WT1 O ATOM 13745 H1 TIP3 4041 20.004 16.884 2.086 1.00 0.00 WT1 H ATOM 13746 H2 TIP3 4041 1.139 -1.166 -1.279 1.00 0.00 WT1 H ATOM 13747 OH2 TIP3 4042 -4.023 -1.173 4.042 1.00 0.00 WT1 O ATOM 13748 H1 TIP3 4042 1.959 6.785 8.442 1.00 0.00 WT1 H ATOM 13749 H2 TIP3 4042 -1.865 -9.457 10.031 1.00 0.00 WT1 H ATOM 13750 OH2 TIP3 4043 2.843 -3.387 -1.335 1.00 0.00 WT1 O ATOM 13751 H1 TIP3 4043 -13.178 10.665 1.890 1.00 0.00 WT1 H ATOM 13752 H2 TIP3 4043 18.118 -12.910 -0.283 1.00 0.00 WT1 H ATOM 13753 OH2 TIP3 4044 -0.316 -4.894 2.341 1.00 0.00 WT1 O ATOM 13754 H1 TIP3 4044 2.794 16.222 -4.628 1.00 0.00 WT1 H ATOM 13755 H2 TIP3 4044 6.104 7.708 -0.215 1.00 0.00 WT1 H ATOM 13756 OH2 TIP3 4045 -4.224 3.630 3.463 1.00 0.00 WT1 O ATOM 13757 H1 TIP3 4045 -16.879 34.413 32.343 1.00 0.00 WT1 H ATOM 13758 H2 TIP3 4045 -12.849 1.699 3.772 1.00 0.00 WT1 H ATOM 13759 OH2 TIP3 4046 1.068 1.501 4.259 1.00 0.00 WT1 O ATOM 13760 H1 TIP3 4046 6.697 13.643 14.779 1.00 0.00 WT1 H ATOM 13761 H2 TIP3 4046 1.089 1.682 0.056 1.00 0.00 WT1 H ATOM 13762 OH2 TIP3 4049 -3.911 5.252 1.958 1.00 0.00 WT1 O ATOM 13763 H1 TIP3 4049 -3.736 -14.425 -17.062 1.00 0.00 WT1 H ATOM 13764 H2 TIP3 4049 -0.508 -0.187 -6.075 1.00 0.00 WT1 H ATOM 13765 OH2 TIP3 4050 -4.295 4.181 1.173 1.00 0.00 WT1 O ATOM 13766 H1 TIP3 4050 -10.011 12.003 -1.586 1.00 0.00 WT1 H ATOM 13767 H2 TIP3 4050 -5.401 -4.529 5.361 1.00 0.00 WT1 H ATOM 13768 OH2 TIP3 4052 1.349 -2.148 -3.320 1.00 0.00 WT1 O ATOM 13769 H1 TIP3 4052 4.753 -0.977 -4.036 1.00 0.00 WT1 H ATOM 13770 H2 TIP3 4052 6.465 -5.176 -26.920 1.00 0.00 WT1 H ATOM 13771 OH2 TIP3 4053 -1.523 8.339 -3.735 1.00 0.00 WT1 O ATOM 13772 H1 TIP3 4053 2.852 18.695 -5.095 1.00 0.00 WT1 H ATOM 13773 H2 TIP3 4053 -5.346 7.654 2.487 1.00 0.00 WT1 H ATOM 13774 OH2 TIP3 4054 1.206 8.914 -4.191 1.00 0.00 WT1 O ATOM 13775 H1 TIP3 4054 19.725 15.873 -6.444 1.00 0.00 WT1 H ATOM 13776 H2 TIP3 4054 -2.380 15.078 7.982 1.00 0.00 WT1 H ATOM 13777 OH2 TIP3 4055 7.440 0.787 3.475 1.00 0.00 WT1 O ATOM 13778 H1 TIP3 4055 -3.953 -1.877 -6.551 1.00 0.00 WT1 H ATOM 13779 H2 TIP3 4055 19.017 4.507 1.683 1.00 0.00 WT1 H ATOM 13780 OH2 TIP3 4056 3.157 0.352 -6.540 1.00 0.00 WT1 O ATOM 13781 H1 TIP3 4056 -0.910 7.319 3.488 1.00 0.00 WT1 H ATOM 13782 H2 TIP3 4056 -0.805 -3.709 -13.542 1.00 0.00 WT1 H ATOM 13783 OH2 TIP3 4057 -0.710 -5.163 -2.584 1.00 0.00 WT1 O ATOM 13784 H1 TIP3 4057 7.154 22.263 -5.792 1.00 0.00 WT1 H ATOM 13785 H2 TIP3 4057 24.563 -17.248 -28.712 1.00 0.00 WT1 H ATOM 13786 OH2 TIP3 4059 2.625 -3.568 1.110 1.00 0.00 WT1 O ATOM 13787 H1 TIP3 4059 -6.390 1.311 -5.763 1.00 0.00 WT1 H ATOM 13788 H2 TIP3 4059 25.740 5.985 -1.101 1.00 0.00 WT1 H ATOM 13789 OH2 TIP3 4060 -7.669 -5.534 0.311 1.00 0.00 WT1 O ATOM 13790 H1 TIP3 4060 -12.306 6.156 18.645 1.00 0.00 WT1 H ATOM 13791 H2 TIP3 4060 3.300 5.314 0.802 1.00 0.00 WT1 H ATOM 13792 OH2 TIP3 4061 0.359 -2.475 -0.279 1.00 0.00 WT1 O ATOM 13793 H1 TIP3 4061 9.428 -15.841 2.408 1.00 0.00 WT1 H ATOM 13794 H2 TIP3 4061 26.231 16.039 -2.195 1.00 0.00 WT1 H ATOM 13795 OH2 TIP3 4062 5.370 2.383 -0.298 1.00 0.00 WT1 O ATOM 13796 H1 TIP3 4062 -5.823 14.119 9.254 1.00 0.00 WT1 H ATOM 13797 H2 TIP3 4062 3.827 -2.677 -2.538 1.00 0.00 WT1 H ATOM 13798 OH2 TIP3 4064 3.550 -6.594 0.739 1.00 0.00 WT1 O ATOM 13799 H1 TIP3 4064 -0.090 -7.860 2.757 1.00 0.00 WT1 H ATOM 13800 H2 TIP3 4064 -12.073 -7.347 -7.742 1.00 0.00 WT1 H ATOM 13801 OH2 TIP3 4065 3.432 1.423 3.430 1.00 0.00 WT1 O ATOM 13802 H1 TIP3 4065 8.904 3.892 6.524 1.00 0.00 WT1 H ATOM 13803 H2 TIP3 4065 1.568 -1.430 -0.270 1.00 0.00 WT1 H ATOM 13804 OH2 TIP3 4067 3.880 3.347 1.433 1.00 0.00 WT1 O ATOM 13805 H1 TIP3 4067 -8.251 2.210 -16.146 1.00 0.00 WT1 H ATOM 13806 H2 TIP3 4067 4.972 15.843 11.036 1.00 0.00 WT1 H ATOM 13807 OH2 TIP3 4068 0.209 -3.917 -3.059 1.00 0.00 WT1 O ATOM 13808 H1 TIP3 4068 11.190 7.706 -12.757 1.00 0.00 WT1 H ATOM 13809 H2 TIP3 4068 -6.103 14.144 15.785 1.00 0.00 WT1 H ATOM 13810 OH2 TIP3 4069 3.659 -2.105 -1.949 1.00 0.00 WT1 O ATOM 13811 H1 TIP3 4069 -3.442 -13.500 -8.919 1.00 0.00 WT1 H ATOM 13812 H2 TIP3 4069 14.301 -10.072 -0.873 1.00 0.00 WT1 H ATOM 13813 OH2 TIP3 4070 -8.792 2.738 -7.594 1.00 0.00 WT1 O ATOM 13814 H1 TIP3 4070 -7.878 20.950 -0.407 1.00 0.00 WT1 H ATOM 13815 H2 TIP3 4070 -5.882 -27.082 -4.359 1.00 0.00 WT1 H ATOM 13816 OH2 TIP3 4071 -4.958 -4.569 4.869 1.00 0.00 WT1 O ATOM 13817 H1 TIP3 4071 5.301 6.859 15.635 1.00 0.00 WT1 H ATOM 13818 H2 TIP3 4071 -9.796 -6.955 -3.792 1.00 0.00 WT1 H ATOM 13819 OH2 TIP3 4072 3.544 -2.722 -1.323 1.00 0.00 WT1 O ATOM 13820 H1 TIP3 4072 19.143 -2.942 -8.334 1.00 0.00 WT1 H ATOM 13821 H2 TIP3 4072 4.554 2.419 11.323 1.00 0.00 WT1 H ATOM 13822 OH2 TIP3 4073 -0.130 -3.204 3.124 1.00 0.00 WT1 O ATOM 13823 H1 TIP3 4073 -17.719 11.689 -22.324 1.00 0.00 WT1 H ATOM 13824 H2 TIP3 4073 -8.286 -6.145 -1.666 1.00 0.00 WT1 H ATOM 13825 OH2 TIP3 4074 3.826 6.040 0.958 1.00 0.00 WT1 O ATOM 13826 H1 TIP3 4074 26.882 5.321 -12.776 1.00 0.00 WT1 H ATOM 13827 H2 TIP3 4074 -9.828 4.871 15.485 1.00 0.00 WT1 H ATOM 13828 OH2 TIP3 4075 1.393 2.649 -2.858 1.00 0.00 WT1 O ATOM 13829 H1 TIP3 4075 0.027 7.929 12.474 1.00 0.00 WT1 H ATOM 13830 H2 TIP3 4075 -11.354 0.340 10.354 1.00 0.00 WT1 H ATOM 13831 OH2 TIP3 4076 3.476 -1.568 4.326 1.00 0.00 WT1 O ATOM 13832 H1 TIP3 4076 -3.788 3.517 1.371 1.00 0.00 WT1 H ATOM 13833 H2 TIP3 4076 4.163 -6.192 2.203 1.00 0.00 WT1 H ATOM 13834 OH2 TIP3 4077 -0.032 -1.596 3.290 1.00 0.00 WT1 O ATOM 13835 H1 TIP3 4077 -1.310 4.726 -8.293 1.00 0.00 WT1 H ATOM 13836 H2 TIP3 4077 -8.378 -11.557 1.626 1.00 0.00 WT1 H ATOM 13837 OH2 TIP3 4078 -0.107 -1.349 -3.076 1.00 0.00 WT1 O ATOM 13838 H1 TIP3 4078 9.189 7.112 -3.609 1.00 0.00 WT1 H ATOM 13839 H2 TIP3 4078 -0.292 -3.127 -3.944 1.00 0.00 WT1 H ATOM 13840 OH2 TIP3 4079 -12.891 7.415 -1.461 1.00 0.00 WT1 O ATOM 13841 H1 TIP3 4079 -11.643 9.893 -0.773 1.00 0.00 WT1 H ATOM 13842 H2 TIP3 4079 -14.888 8.472 1.268 1.00 0.00 WT1 H ATOM 13843 OH2 TIP3 4081 -0.342 -3.904 2.340 1.00 0.00 WT1 O ATOM 13844 H1 TIP3 4081 -14.721 -1.473 -7.451 1.00 0.00 WT1 H ATOM 13845 H2 TIP3 4081 16.588 -9.707 7.993 1.00 0.00 WT1 H ATOM 13846 OH2 TIP3 4082 -0.851 -1.076 -2.728 1.00 0.00 WT1 O ATOM 13847 H1 TIP3 4082 29.995 12.724 -10.056 1.00 0.00 WT1 H ATOM 13848 H2 TIP3 4082 -6.824 5.260 31.689 1.00 0.00 WT1 H ATOM 13849 OH2 TIP3 4083 -0.653 5.433 -3.595 1.00 0.00 WT1 O ATOM 13850 H1 TIP3 4083 -0.203 2.853 -3.587 1.00 0.00 WT1 H ATOM 13851 H2 TIP3 4083 -3.847 -18.971 -0.435 1.00 0.00 WT1 H ATOM 13852 OH2 TIP3 4084 -1.148 -1.445 2.724 1.00 0.00 WT1 O ATOM 13853 H1 TIP3 4084 6.698 8.848 12.466 1.00 0.00 WT1 H ATOM 13854 H2 TIP3 4084 15.558 10.658 4.372 1.00 0.00 WT1 H ATOM 13855 OH2 TIP3 4087 -0.186 -7.065 -5.183 1.00 0.00 WT1 O ATOM 13856 H1 TIP3 4087 12.357 -1.858 6.172 1.00 0.00 WT1 H ATOM 13857 H2 TIP3 4087 -4.458 -8.710 -8.239 1.00 0.00 WT1 H ATOM 13858 OH2 TIP3 4089 -6.076 -6.033 -1.671 1.00 0.00 WT1 O ATOM 13859 H1 TIP3 4089 7.743 -6.322 12.996 1.00 0.00 WT1 H ATOM 13860 H2 TIP3 4089 24.992 11.171 -11.659 1.00 0.00 WT1 H ATOM 13861 OH2 TIP3 4090 0.673 -2.817 -3.218 1.00 0.00 WT1 O ATOM 13862 H1 TIP3 4090 -2.379 -0.712 -23.705 1.00 0.00 WT1 H ATOM 13863 H2 TIP3 4090 0.740 -16.947 24.628 1.00 0.00 WT1 H ATOM 13864 OH2 TIP3 4092 -1.444 3.150 1.375 1.00 0.00 WT1 O ATOM 13865 H1 TIP3 4092 0.980 -24.917 3.343 1.00 0.00 WT1 H ATOM 13866 H2 TIP3 4092 20.756 12.474 24.420 1.00 0.00 WT1 H ATOM 13867 OH2 TIP3 4093 -5.807 4.297 -4.169 1.00 0.00 WT1 O ATOM 13868 H1 TIP3 4093 -6.017 -4.150 -9.423 1.00 0.00 WT1 H ATOM 13869 H2 TIP3 4093 -12.931 -20.516 -9.976 1.00 0.00 WT1 H ATOM 13870 OH2 TIP3 4095 1.855 -0.449 0.532 1.00 0.00 WT1 O ATOM 13871 H1 TIP3 4095 -8.451 -1.550 4.062 1.00 0.00 WT1 H ATOM 13872 H2 TIP3 4095 3.568 -15.260 -11.083 1.00 0.00 WT1 H ATOM 13873 OH2 TIP3 4096 1.276 -0.674 1.639 1.00 0.00 WT1 O ATOM 13874 H1 TIP3 4096 2.101 -15.813 -5.938 1.00 0.00 WT1 H ATOM 13875 H2 TIP3 4096 -4.555 -3.102 9.483 1.00 0.00 WT1 H ATOM 13876 OH2 TIP3 4097 3.325 4.797 -8.191 1.00 0.00 WT1 O ATOM 13877 H1 TIP3 4097 22.055 1.361 -12.048 1.00 0.00 WT1 H ATOM 13878 H2 TIP3 4097 -38.324 12.178 -0.031 1.00 0.00 WT1 H ATOM 13879 OH2 TIP3 4098 1.457 4.201 -2.169 1.00 0.00 WT1 O ATOM 13880 H1 TIP3 4098 -17.049 5.948 5.935 1.00 0.00 WT1 H ATOM 13881 H2 TIP3 4098 -1.302 16.820 -2.177 1.00 0.00 WT1 H ATOM 13882 OH2 TIP3 4099 4.699 2.030 0.383 1.00 0.00 WT1 O ATOM 13883 H1 TIP3 4099 -3.859 -24.281 10.846 1.00 0.00 WT1 H ATOM 13884 H2 TIP3 4099 14.650 8.223 -3.971 1.00 0.00 WT1 H ATOM 13885 OH2 TIP3 4100 -2.233 -0.177 -1.417 1.00 0.00 WT1 O ATOM 13886 H1 TIP3 4100 -3.120 -4.551 -9.108 1.00 0.00 WT1 H ATOM 13887 H2 TIP3 4100 2.437 -15.891 -16.099 1.00 0.00 WT1 H ATOM 13888 OH2 TIP3 4101 -0.064 5.216 -0.934 1.00 0.00 WT1 O ATOM 13889 H1 TIP3 4101 5.551 -19.181 14.502 1.00 0.00 WT1 H ATOM 13890 H2 TIP3 4101 35.076 16.746 1.956 1.00 0.00 WT1 H ATOM 13891 OH2 TIP3 4102 -3.080 1.271 -6.123 1.00 0.00 WT1 O ATOM 13892 H1 TIP3 4102 7.036 -7.111 -10.467 1.00 0.00 WT1 H ATOM 13893 H2 TIP3 4102 0.497 -0.949 -3.933 1.00 0.00 WT1 H ATOM 13894 OH2 TIP3 4103 -2.718 9.234 -7.591 1.00 0.00 WT1 O ATOM 13895 H1 TIP3 4103 6.925 -15.720 5.370 1.00 0.00 WT1 H ATOM 13896 H2 TIP3 4103 -30.010 3.074 -11.409 1.00 0.00 WT1 H ATOM 13897 OH2 TIP3 4104 1.893 -1.173 -0.918 1.00 0.00 WT1 O ATOM 13898 H1 TIP3 4104 -24.284 -14.804 -9.837 1.00 0.00 WT1 H ATOM 13899 H2 TIP3 4104 14.657 4.029 0.855 1.00 0.00 WT1 H ATOM 13900 OH2 TIP3 4106 3.915 -3.365 4.344 1.00 0.00 WT1 O ATOM 13901 H1 TIP3 4106 -0.505 -0.241 15.176 1.00 0.00 WT1 H ATOM 13902 H2 TIP3 4106 14.205 -12.286 -6.160 1.00 0.00 WT1 H ATOM 13903 OH2 TIP3 4109 -1.705 3.133 -0.752 1.00 0.00 WT1 O ATOM 13904 H1 TIP3 4109 1.028 12.440 -0.298 1.00 0.00 WT1 H ATOM 13905 H2 TIP3 4109 7.286 -3.092 2.555 1.00 0.00 WT1 H ATOM 13906 OH2 TIP3 4110 0.371 6.034 -7.793 1.00 0.00 WT1 O ATOM 13907 H1 TIP3 4110 -8.649 5.998 -13.246 1.00 0.00 WT1 H ATOM 13908 H2 TIP3 4110 -9.018 -2.285 -13.593 1.00 0.00 WT1 H ATOM 13909 OH2 TIP3 4112 0.511 0.271 0.320 1.00 0.00 WT1 O ATOM 13910 H1 TIP3 4112 9.028 -9.665 16.524 1.00 0.00 WT1 H ATOM 13911 H2 TIP3 4112 5.347 -5.746 12.301 1.00 0.00 WT1 H ATOM 13912 OH2 TIP3 4113 -3.976 -3.091 -1.336 1.00 0.00 WT1 O ATOM 13913 H1 TIP3 4113 -1.598 -12.418 21.592 1.00 0.00 WT1 H ATOM 13914 H2 TIP3 4113 -11.502 3.355 -10.226 1.00 0.00 WT1 H ATOM 13915 OH2 TIP3 4114 -2.356 -2.752 -4.154 1.00 0.00 WT1 O ATOM 13916 H1 TIP3 4114 -4.289 14.094 5.124 1.00 0.00 WT1 H ATOM 13917 H2 TIP3 4114 -1.218 8.890 -5.296 1.00 0.00 WT1 H ATOM 13918 OH2 TIP3 4115 -3.546 -2.846 -5.630 1.00 0.00 WT1 O ATOM 13919 H1 TIP3 4115 3.791 13.900 4.661 1.00 0.00 WT1 H ATOM 13920 H2 TIP3 4115 -24.294 -15.563 5.226 1.00 0.00 WT1 H ATOM 13921 OH2 TIP3 4116 -5.382 -3.890 -0.400 1.00 0.00 WT1 O ATOM 13922 H1 TIP3 4116 3.053 14.989 2.114 1.00 0.00 WT1 H ATOM 13923 H2 TIP3 4116 -23.127 -6.187 -0.424 1.00 0.00 WT1 H ATOM 13924 OH2 TIP3 4117 2.497 2.751 -0.942 1.00 0.00 WT1 O ATOM 13925 H1 TIP3 4117 10.252 -10.279 -6.394 1.00 0.00 WT1 H ATOM 13926 H2 TIP3 4117 -16.990 -5.031 -5.979 1.00 0.00 WT1 H ATOM 13927 OH2 TIP3 4118 -3.030 2.713 -2.953 1.00 0.00 WT1 O ATOM 13928 H1 TIP3 4118 4.638 18.644 16.455 1.00 0.00 WT1 H ATOM 13929 H2 TIP3 4118 4.503 14.461 17.761 1.00 0.00 WT1 H ATOM 13930 OH2 TIP3 4119 1.401 -1.847 -0.753 1.00 0.00 WT1 O ATOM 13931 H1 TIP3 4119 7.316 -9.251 22.953 1.00 0.00 WT1 H ATOM 13932 H2 TIP3 4119 21.427 -11.244 -3.900 1.00 0.00 WT1 H ATOM 13933 OH2 TIP3 4120 6.808 3.661 6.498 1.00 0.00 WT1 O ATOM 13934 H1 TIP3 4120 10.639 3.855 8.226 1.00 0.00 WT1 H ATOM 13935 H2 TIP3 4120 -0.683 0.514 2.174 1.00 0.00 WT1 H ATOM 13936 OH2 TIP3 4121 0.362 3.431 1.511 1.00 0.00 WT1 O ATOM 13937 H1 TIP3 4121 -0.595 2.507 1.720 1.00 0.00 WT1 H ATOM 13938 H2 TIP3 4121 -13.091 -6.043 6.023 1.00 0.00 WT1 H ATOM 13939 OH2 TIP3 4123 -2.786 0.457 6.059 1.00 0.00 WT1 O ATOM 13940 H1 TIP3 4123 -6.841 -3.451 2.443 1.00 0.00 WT1 H ATOM 13941 H2 TIP3 4123 22.766 19.846 24.616 1.00 0.00 WT1 H ATOM 13942 OH2 TIP3 4125 1.263 7.245 0.621 1.00 0.00 WT1 O ATOM 13943 H1 TIP3 4125 -0.431 -4.931 -1.877 1.00 0.00 WT1 H ATOM 13944 H2 TIP3 4125 7.969 -5.195 24.176 1.00 0.00 WT1 H ATOM 13945 OH2 TIP3 4130 -3.300 -4.020 -4.005 1.00 0.00 WT1 O ATOM 13946 H1 TIP3 4130 -22.088 -16.840 -3.474 1.00 0.00 WT1 H ATOM 13947 H2 TIP3 4130 7.270 -4.973 7.355 1.00 0.00 WT1 H ATOM 13948 OH2 TIP3 4131 1.270 1.634 -3.618 1.00 0.00 WT1 O ATOM 13949 H1 TIP3 4131 -2.606 -3.057 -16.833 1.00 0.00 WT1 H ATOM 13950 H2 TIP3 4131 -2.300 -15.006 -7.928 1.00 0.00 WT1 H ATOM 13951 OH2 TIP3 4132 5.473 2.392 9.084 1.00 0.00 WT1 O ATOM 13952 H1 TIP3 4132 -4.034 -7.510 18.305 1.00 0.00 WT1 H ATOM 13953 H2 TIP3 4132 -11.092 -13.472 -3.741 1.00 0.00 WT1 H ATOM 13954 OH2 TIP3 4133 -6.553 -2.462 1.946 1.00 0.00 WT1 O ATOM 13955 H1 TIP3 4133 -2.652 -2.585 -8.701 1.00 0.00 WT1 H ATOM 13956 H2 TIP3 4133 -5.543 24.103 7.831 1.00 0.00 WT1 H ATOM 13957 OH2 TIP3 4134 0.639 -8.262 8.096 1.00 0.00 WT1 O ATOM 13958 H1 TIP3 4134 24.296 0.226 -12.567 1.00 0.00 WT1 H ATOM 13959 H2 TIP3 4134 -27.890 3.016 -6.372 1.00 0.00 WT1 H ATOM 13960 OH2 TIP3 4135 0.639 0.467 -0.016 1.00 0.00 WT1 O ATOM 13961 H1 TIP3 4135 -0.599 -9.513 10.692 1.00 0.00 WT1 H ATOM 13962 H2 TIP3 4135 0.150 11.459 -2.007 1.00 0.00 WT1 H ATOM 13963 OH2 TIP3 4136 4.682 8.142 -3.783 1.00 0.00 WT1 O ATOM 13964 H1 TIP3 4136 -6.845 -23.312 -10.909 1.00 0.00 WT1 H ATOM 13965 H2 TIP3 4136 9.973 25.704 -24.178 1.00 0.00 WT1 H ATOM 13966 OH2 TIP3 4137 -1.005 0.350 0.692 1.00 0.00 WT1 O ATOM 13967 H1 TIP3 4137 -12.281 -3.057 -0.547 1.00 0.00 WT1 H ATOM 13968 H2 TIP3 4137 10.805 -15.491 7.089 1.00 0.00 WT1 H ATOM 13969 OH2 TIP3 4138 3.660 2.578 0.588 1.00 0.00 WT1 O ATOM 13970 H1 TIP3 4138 10.713 30.195 -0.420 1.00 0.00 WT1 H ATOM 13971 H2 TIP3 4138 -8.783 14.169 -9.521 1.00 0.00 WT1 H ATOM 13972 OH2 TIP3 4139 -0.924 1.036 3.575 1.00 0.00 WT1 O ATOM 13973 H1 TIP3 4139 -14.744 15.075 17.601 1.00 0.00 WT1 H ATOM 13974 H2 TIP3 4139 24.302 -10.598 25.827 1.00 0.00 WT1 H ATOM 13975 OH2 TIP3 4140 2.259 -2.100 -1.422 1.00 0.00 WT1 O ATOM 13976 H1 TIP3 4140 10.055 -2.316 -6.331 1.00 0.00 WT1 H ATOM 13977 H2 TIP3 4140 7.098 4.334 5.477 1.00 0.00 WT1 H ATOM 13978 OH2 TIP3 4141 -0.298 -8.242 0.659 1.00 0.00 WT1 O ATOM 13979 H1 TIP3 4141 1.486 6.145 20.225 1.00 0.00 WT1 H ATOM 13980 H2 TIP3 4141 2.077 -11.148 -0.225 1.00 0.00 WT1 H ATOM 13981 OH2 TIP3 4142 -1.842 -2.554 4.757 1.00 0.00 WT1 O ATOM 13982 H1 TIP3 4142 1.572 6.315 4.515 1.00 0.00 WT1 H ATOM 13983 H2 TIP3 4142 1.306 24.596 12.337 1.00 0.00 WT1 H ATOM 13984 OH2 TIP3 4143 3.956 0.070 -4.425 1.00 0.00 WT1 O ATOM 13985 H1 TIP3 4143 -8.164 2.678 -14.369 1.00 0.00 WT1 H ATOM 13986 H2 TIP3 4143 -13.341 -4.863 -16.695 1.00 0.00 WT1 H ATOM 13987 OH2 TIP3 4144 -5.468 -2.548 -1.612 1.00 0.00 WT1 O ATOM 13988 H1 TIP3 4144 4.201 7.936 4.108 1.00 0.00 WT1 H ATOM 13989 H2 TIP3 4144 -5.011 9.010 -16.552 1.00 0.00 WT1 H ATOM 13990 OH2 TIP3 4145 -2.094 2.510 -2.417 1.00 0.00 WT1 O ATOM 13991 H1 TIP3 4145 4.436 11.564 5.065 1.00 0.00 WT1 H ATOM 13992 H2 TIP3 4145 -13.737 -7.373 -5.325 1.00 0.00 WT1 H ATOM 13993 OH2 TIP3 4147 0.633 7.312 -3.474 1.00 0.00 WT1 O ATOM 13994 H1 TIP3 4147 -9.492 15.437 19.101 1.00 0.00 WT1 H ATOM 13995 H2 TIP3 4147 8.629 26.602 -19.941 1.00 0.00 WT1 H ATOM 13996 OH2 TIP3 4151 -8.579 5.002 0.187 1.00 0.00 WT1 O ATOM 13997 H1 TIP3 4151 -4.507 -3.579 17.576 1.00 0.00 WT1 H ATOM 13998 H2 TIP3 4151 -3.642 15.719 13.425 1.00 0.00 WT1 H ATOM 13999 OH2 TIP3 4153 -3.104 5.170 -0.313 1.00 0.00 WT1 O ATOM 14000 H1 TIP3 4153 -1.169 -8.884 -12.815 1.00 0.00 WT1 H ATOM 14001 H2 TIP3 4153 7.210 -40.061 19.667 1.00 0.00 WT1 H ATOM 14002 OH2 TIP3 4154 2.840 3.166 -2.345 1.00 0.00 WT1 O ATOM 14003 H1 TIP3 4154 5.060 -1.219 -2.853 1.00 0.00 WT1 H ATOM 14004 H2 TIP3 4154 3.931 7.833 -2.268 1.00 0.00 WT1 H ATOM 14005 OH2 TIP3 4155 -2.305 -4.132 0.725 1.00 0.00 WT1 O ATOM 14006 H1 TIP3 4155 -5.544 -4.537 -1.715 1.00 0.00 WT1 H ATOM 14007 H2 TIP3 4155 -8.902 -4.610 -6.269 1.00 0.00 WT1 H ATOM 14008 OH2 TIP3 4156 2.294 4.783 7.995 1.00 0.00 WT1 O ATOM 14009 H1 TIP3 4156 9.493 -5.412 -8.019 1.00 0.00 WT1 H ATOM 14010 H2 TIP3 4156 6.475 -0.427 -1.511 1.00 0.00 WT1 H ATOM 14011 OH2 TIP3 4157 -5.297 3.503 -0.759 1.00 0.00 WT1 O ATOM 14012 H1 TIP3 4157 -4.334 -14.740 -21.186 1.00 0.00 WT1 H ATOM 14013 H2 TIP3 4157 20.351 -7.006 3.798 1.00 0.00 WT1 H ATOM 14014 OH2 TIP3 4158 -4.422 3.881 -5.207 1.00 0.00 WT1 O ATOM 14015 H1 TIP3 4158 29.604 15.462 -26.589 1.00 0.00 WT1 H ATOM 14016 H2 TIP3 4158 -12.869 -26.801 1.173 1.00 0.00 WT1 H ATOM 14017 OH2 TIP3 4159 4.438 4.027 -3.671 1.00 0.00 WT1 O ATOM 14018 H1 TIP3 4159 -1.201 6.587 2.829 1.00 0.00 WT1 H ATOM 14019 H2 TIP3 4159 5.285 -4.250 -14.072 1.00 0.00 WT1 H ATOM 14020 OH2 TIP3 4160 1.351 1.294 6.960 1.00 0.00 WT1 O ATOM 14021 H1 TIP3 4160 -7.864 3.471 0.138 1.00 0.00 WT1 H ATOM 14022 H2 TIP3 4160 -9.491 -9.364 0.427 1.00 0.00 WT1 H ATOM 14023 OH2 TIP3 4161 5.126 -1.945 -2.040 1.00 0.00 WT1 O ATOM 14024 H1 TIP3 4161 1.856 13.311 -8.698 1.00 0.00 WT1 H ATOM 14025 H2 TIP3 4161 3.025 -15.442 -6.437 1.00 0.00 WT1 H ATOM 14026 OH2 TIP3 4162 -6.889 -4.989 -7.871 1.00 0.00 WT1 O ATOM 14027 H1 TIP3 4162 -3.871 8.334 1.384 1.00 0.00 WT1 H ATOM 14028 H2 TIP3 4162 -2.482 6.001 -8.782 1.00 0.00 WT1 H ATOM 14029 OH2 TIP3 4164 -3.179 -6.474 2.207 1.00 0.00 WT1 O ATOM 14030 H1 TIP3 4164 -3.724 -4.786 4.275 1.00 0.00 WT1 H ATOM 14031 H2 TIP3 4164 -2.385 -1.165 5.123 1.00 0.00 WT1 H ATOM 14032 OH2 TIP3 4165 -2.807 2.860 -3.906 1.00 0.00 WT1 O ATOM 14033 H1 TIP3 4165 -3.325 -5.373 -1.117 1.00 0.00 WT1 H ATOM 14034 H2 TIP3 4165 6.377 4.564 1.329 1.00 0.00 WT1 H ATOM 14035 OH2 TIP3 4166 0.149 -5.603 6.106 1.00 0.00 WT1 O ATOM 14036 H1 TIP3 4166 -3.517 -8.065 -12.983 1.00 0.00 WT1 H ATOM 14037 H2 TIP3 4166 11.953 -0.685 25.805 1.00 0.00 WT1 H ATOM 14038 OH2 TIP3 4167 -3.160 2.553 1.233 1.00 0.00 WT1 O ATOM 14039 H1 TIP3 4167 -15.331 1.780 -6.215 1.00 0.00 WT1 H ATOM 14040 H2 TIP3 4167 -22.725 10.201 -4.278 1.00 0.00 WT1 H ATOM 14041 OH2 TIP3 4169 -0.435 -3.942 1.604 1.00 0.00 WT1 O ATOM 14042 H1 TIP3 4169 11.409 23.513 6.188 1.00 0.00 WT1 H ATOM 14043 H2 TIP3 4169 8.336 -24.492 -6.954 1.00 0.00 WT1 H ATOM 14044 OH2 TIP3 4173 -0.372 2.629 -0.876 1.00 0.00 WT1 O ATOM 14045 H1 TIP3 4173 49.430 -6.445 7.007 1.00 0.00 WT1 H ATOM 14046 H2 TIP3 4173 -12.144 2.300 -19.796 1.00 0.00 WT1 H ATOM 14047 OH2 TIP3 4174 -4.912 -5.928 -4.616 1.00 0.00 WT1 O ATOM 14048 H1 TIP3 4174 0.840 -2.077 13.057 1.00 0.00 WT1 H ATOM 14049 H2 TIP3 4174 -4.094 -9.902 -8.246 1.00 0.00 WT1 H ATOM 14050 OH2 TIP3 4175 2.984 6.655 -0.178 1.00 0.00 WT1 O ATOM 14051 H1 TIP3 4175 18.896 5.139 15.355 1.00 0.00 WT1 H ATOM 14052 H2 TIP3 4175 -7.431 -10.315 -22.297 1.00 0.00 WT1 H ATOM 14053 OH2 TIP3 4177 2.375 -0.281 -2.708 1.00 0.00 WT1 O ATOM 14054 H1 TIP3 4177 -17.302 -23.292 -10.333 1.00 0.00 WT1 H ATOM 14055 H2 TIP3 4177 6.276 6.769 -0.267 1.00 0.00 WT1 H ATOM 14056 OH2 TIP3 4178 3.319 -3.563 1.568 1.00 0.00 WT1 O ATOM 14057 H1 TIP3 4178 -1.374 7.213 -1.893 1.00 0.00 WT1 H ATOM 14058 H2 TIP3 4178 13.927 -8.459 0.207 1.00 0.00 WT1 H ATOM 14059 OH2 TIP3 4180 -4.463 2.651 3.232 1.00 0.00 WT1 O ATOM 14060 H1 TIP3 4180 -3.017 2.414 2.812 1.00 0.00 WT1 H ATOM 14061 H2 TIP3 4180 13.663 -0.662 2.096 1.00 0.00 WT1 H ATOM 14062 OH2 TIP3 4181 -1.129 -4.425 -5.594 1.00 0.00 WT1 O ATOM 14063 H1 TIP3 4181 -16.416 9.447 -10.900 1.00 0.00 WT1 H ATOM 14064 H2 TIP3 4181 -27.348 24.455 -5.646 1.00 0.00 WT1 H ATOM 14065 OH2 TIP3 4182 5.250 -1.700 0.717 1.00 0.00 WT1 O ATOM 14066 H1 TIP3 4182 9.102 -15.439 -9.027 1.00 0.00 WT1 H ATOM 14067 H2 TIP3 4182 9.356 -13.906 -4.778 1.00 0.00 WT1 H ATOM 14068 OH2 TIP3 4183 -1.305 1.886 -2.233 1.00 0.00 WT1 O ATOM 14069 H1 TIP3 4183 -2.055 0.100 -0.618 1.00 0.00 WT1 H ATOM 14070 H2 TIP3 4183 13.830 22.447 -10.909 1.00 0.00 WT1 H ATOM 14071 OH2 TIP3 4184 0.594 1.146 -5.360 1.00 0.00 WT1 O ATOM 14072 H1 TIP3 4184 -4.568 -4.558 25.272 1.00 0.00 WT1 H ATOM 14073 H2 TIP3 4184 -3.276 -3.533 17.046 1.00 0.00 WT1 H ATOM 14074 OH2 TIP3 4186 3.029 2.266 4.164 1.00 0.00 WT1 O ATOM 14075 H1 TIP3 4186 2.865 2.400 6.478 1.00 0.00 WT1 H ATOM 14076 H2 TIP3 4186 -0.401 -3.002 -1.041 1.00 0.00 WT1 H ATOM 14077 OH2 TIP3 4187 4.618 -7.593 -2.489 1.00 0.00 WT1 O ATOM 14078 H1 TIP3 4187 6.993 -2.119 -11.806 1.00 0.00 WT1 H ATOM 14079 H2 TIP3 4187 12.408 3.661 -23.660 1.00 0.00 WT1 H ATOM 14080 OH2 TIP3 4189 -1.517 0.822 -1.592 1.00 0.00 WT1 O ATOM 14081 H1 TIP3 4189 1.227 -12.527 6.770 1.00 0.00 WT1 H ATOM 14082 H2 TIP3 4189 -1.884 9.701 5.481 1.00 0.00 WT1 H ATOM 14083 OH2 TIP3 4191 -3.535 1.199 -0.382 1.00 0.00 WT1 O ATOM 14084 H1 TIP3 4191 -20.512 4.649 -11.237 1.00 0.00 WT1 H ATOM 14085 H2 TIP3 4191 -5.105 -8.340 3.844 1.00 0.00 WT1 H ATOM 14086 OH2 TIP3 4192 -1.963 -1.315 6.762 1.00 0.00 WT1 O ATOM 14087 H1 TIP3 4192 12.507 -4.682 3.790 1.00 0.00 WT1 H ATOM 14088 H2 TIP3 4192 -10.644 -9.309 -1.637 1.00 0.00 WT1 H ATOM 14089 OH2 TIP3 4194 -1.148 2.295 1.334 1.00 0.00 WT1 O ATOM 14090 H1 TIP3 4194 -0.989 2.582 4.224 1.00 0.00 WT1 H ATOM 14091 H2 TIP3 4194 1.780 -0.383 3.378 1.00 0.00 WT1 H ATOM 14092 OH2 TIP3 4196 -3.492 9.823 -2.418 1.00 0.00 WT1 O ATOM 14093 H1 TIP3 4196 -11.962 7.361 10.413 1.00 0.00 WT1 H ATOM 14094 H2 TIP3 4196 8.860 13.643 -3.789 1.00 0.00 WT1 H ATOM 14095 OH2 TIP3 4197 -1.958 -2.150 -7.468 1.00 0.00 WT1 O ATOM 14096 H1 TIP3 4197 -6.025 -26.258 8.314 1.00 0.00 WT1 H ATOM 14097 H2 TIP3 4197 20.378 2.951 -19.023 1.00 0.00 WT1 H ATOM 14098 OH2 TIP3 4198 -2.250 -4.723 -0.045 1.00 0.00 WT1 O ATOM 14099 H1 TIP3 4198 -13.133 -16.563 -6.847 1.00 0.00 WT1 H ATOM 14100 H2 TIP3 4198 13.950 -19.919 -1.591 1.00 0.00 WT1 H ATOM 14101 OH2 TIP3 4199 -3.548 4.430 -3.765 1.00 0.00 WT1 O ATOM 14102 H1 TIP3 4199 -10.590 -12.617 -15.928 1.00 0.00 WT1 H ATOM 14103 H2 TIP3 4199 -13.488 -15.253 -28.356 1.00 0.00 WT1 H ATOM 14104 OH2 TIP3 4200 -1.974 2.707 3.606 1.00 0.00 WT1 O ATOM 14105 H1 TIP3 4200 -9.411 2.103 -1.771 1.00 0.00 WT1 H ATOM 14106 H2 TIP3 4200 0.591 2.087 0.578 1.00 0.00 WT1 H ATOM 14107 OH2 TIP3 4201 5.172 2.789 1.756 1.00 0.00 WT1 O ATOM 14108 H1 TIP3 4201 -6.541 -7.578 6.732 1.00 0.00 WT1 H ATOM 14109 H2 TIP3 4201 -0.087 -6.742 -7.126 1.00 0.00 WT1 H ATOM 14110 OH2 TIP3 4202 -4.629 0.573 5.704 1.00 0.00 WT1 O ATOM 14111 H1 TIP3 4202 2.563 4.619 3.937 1.00 0.00 WT1 H ATOM 14112 H2 TIP3 4202 -3.203 -5.048 7.343 1.00 0.00 WT1 H ATOM 14113 OH2 TIP3 4204 -1.377 -1.717 1.459 1.00 0.00 WT1 O ATOM 14114 H1 TIP3 4204 -6.617 -0.620 13.342 1.00 0.00 WT1 H ATOM 14115 H2 TIP3 4204 -7.937 -40.358 -12.664 1.00 0.00 WT1 H ATOM 14116 OH2 TIP3 4205 -2.695 -5.656 4.394 1.00 0.00 WT1 O ATOM 14117 H1 TIP3 4205 8.066 -13.852 12.289 1.00 0.00 WT1 H ATOM 14118 H2 TIP3 4205 -8.500 -5.433 4.226 1.00 0.00 WT1 H ATOM 14119 OH2 TIP3 4207 -2.552 -6.208 -4.351 1.00 0.00 WT1 O ATOM 14120 H1 TIP3 4207 1.233 -10.053 -7.451 1.00 0.00 WT1 H ATOM 14121 H2 TIP3 4207 4.939 -5.031 -4.428 1.00 0.00 WT1 H ATOM 14122 OH2 TIP3 4209 -1.289 -2.133 2.699 1.00 0.00 WT1 O ATOM 14123 H1 TIP3 4209 5.132 -15.448 -0.277 1.00 0.00 WT1 H ATOM 14124 H2 TIP3 4209 1.913 -0.291 0.542 1.00 0.00 WT1 H ATOM 14125 OH2 TIP3 4217 -7.591 -1.615 -1.591 1.00 0.00 WT1 O ATOM 14126 H1 TIP3 4217 7.767 16.628 0.187 1.00 0.00 WT1 H ATOM 14127 H2 TIP3 4217 -6.793 -4.472 7.035 1.00 0.00 WT1 H ATOM 14128 OH2 TIP3 4218 -4.127 -6.173 0.356 1.00 0.00 WT1 O ATOM 14129 H1 TIP3 4218 2.399 -7.315 -22.715 1.00 0.00 WT1 H ATOM 14130 H2 TIP3 4218 -0.502 -13.604 12.875 1.00 0.00 WT1 H ATOM 14131 OH2 TIP3 4219 3.818 -1.234 -0.982 1.00 0.00 WT1 O ATOM 14132 H1 TIP3 4219 5.068 -4.111 -14.795 1.00 0.00 WT1 H ATOM 14133 H2 TIP3 4219 14.138 -1.746 3.705 1.00 0.00 WT1 H ATOM 14134 OH2 TIP3 4220 -3.919 1.832 -5.433 1.00 0.00 WT1 O ATOM 14135 H1 TIP3 4220 -17.509 5.835 -1.883 1.00 0.00 WT1 H ATOM 14136 H2 TIP3 4220 4.401 0.940 -8.334 1.00 0.00 WT1 H ATOM 14137 OH2 TIP3 4221 -9.770 -5.424 -3.624 1.00 0.00 WT1 O ATOM 14138 H1 TIP3 4221 -12.422 -0.025 5.415 1.00 0.00 WT1 H ATOM 14139 H2 TIP3 4221 -12.554 0.647 5.114 1.00 0.00 WT1 H ATOM 14140 OH2 TIP3 4222 4.971 8.316 -0.648 1.00 0.00 WT1 O ATOM 14141 H1 TIP3 4222 -2.164 14.879 4.393 1.00 0.00 WT1 H ATOM 14142 H2 TIP3 4222 -19.202 13.986 14.326 1.00 0.00 WT1 H ATOM 14143 OH2 TIP3 4223 4.797 -0.167 8.783 1.00 0.00 WT1 O ATOM 14144 H1 TIP3 4223 2.482 9.222 11.018 1.00 0.00 WT1 H ATOM 14145 H2 TIP3 4223 13.671 -8.323 2.747 1.00 0.00 WT1 H ATOM 14146 OH2 TIP3 4224 4.988 -0.812 4.685 1.00 0.00 WT1 O ATOM 14147 H1 TIP3 4224 18.189 -3.846 -4.866 1.00 0.00 WT1 H ATOM 14148 H2 TIP3 4224 20.073 -16.088 -9.965 1.00 0.00 WT1 H ATOM 14149 OH2 TIP3 4225 -5.949 0.798 1.492 1.00 0.00 WT1 O ATOM 14150 H1 TIP3 4225 -0.379 6.576 -19.449 1.00 0.00 WT1 H ATOM 14151 H2 TIP3 4225 1.113 -31.826 5.788 1.00 0.00 WT1 H ATOM 14152 OH2 TIP3 4226 -6.250 -0.287 7.869 1.00 0.00 WT1 O ATOM 14153 H1 TIP3 4226 -20.192 -6.203 7.452 1.00 0.00 WT1 H ATOM 14154 H2 TIP3 4226 2.599 1.773 9.172 1.00 0.00 WT1 H ATOM 14155 OH2 TIP3 4227 -1.581 -0.894 0.072 1.00 0.00 WT1 O ATOM 14156 H1 TIP3 4227 2.673 -3.336 -8.775 1.00 0.00 WT1 H ATOM 14157 H2 TIP3 4227 11.405 -0.777 -6.922 1.00 0.00 WT1 H ATOM 14158 OH2 TIP3 4228 -3.471 -0.460 -6.072 1.00 0.00 WT1 O ATOM 14159 H1 TIP3 4228 -2.866 7.793 -9.075 1.00 0.00 WT1 H ATOM 14160 H2 TIP3 4228 0.289 -2.745 -0.969 1.00 0.00 WT1 H ATOM 14161 OH2 TIP3 4229 3.105 -2.438 3.485 1.00 0.00 WT1 O ATOM 14162 H1 TIP3 4229 -5.010 1.192 1.393 1.00 0.00 WT1 H ATOM 14163 H2 TIP3 4229 11.560 -3.623 -3.806 1.00 0.00 WT1 H ATOM 14164 OH2 TIP3 4231 3.263 6.319 3.645 1.00 0.00 WT1 O ATOM 14165 H1 TIP3 4231 -3.089 -5.526 24.310 1.00 0.00 WT1 H ATOM 14166 H2 TIP3 4231 4.595 9.564 0.396 1.00 0.00 WT1 H ATOM 14167 OH2 TIP3 4232 1.137 3.475 -4.868 1.00 0.00 WT1 O ATOM 14168 H1 TIP3 4232 -2.160 15.577 0.330 1.00 0.00 WT1 H ATOM 14169 H2 TIP3 4232 -3.530 23.935 17.737 1.00 0.00 WT1 H ATOM 14170 OH2 TIP3 4234 4.415 -1.046 -5.362 1.00 0.00 WT1 O ATOM 14171 H1 TIP3 4234 10.262 2.028 5.254 1.00 0.00 WT1 H ATOM 14172 H2 TIP3 4234 -1.685 -10.452 -1.307 1.00 0.00 WT1 H ATOM 14173 OH2 TIP3 4239 3.294 3.279 -5.975 1.00 0.00 WT1 O ATOM 14174 H1 TIP3 4239 4.948 4.816 -4.154 1.00 0.00 WT1 H ATOM 14175 H2 TIP3 4239 0.773 1.429 -9.155 1.00 0.00 WT1 H ATOM 14176 OH2 TIP3 4240 -1.737 -2.985 -0.004 1.00 0.00 WT1 O ATOM 14177 H1 TIP3 4240 5.755 -5.850 -3.175 1.00 0.00 WT1 H ATOM 14178 H2 TIP3 4240 6.474 -7.919 1.308 1.00 0.00 WT1 H ATOM 14179 OH2 TIP3 4241 2.694 -0.716 1.052 1.00 0.00 WT1 O ATOM 14180 H1 TIP3 4241 -20.767 -7.035 -6.894 1.00 0.00 WT1 H ATOM 14181 H2 TIP3 4241 -14.485 -8.925 -5.725 1.00 0.00 WT1 H ATOM 14182 OH2 TIP3 4243 3.245 -2.500 0.595 1.00 0.00 WT1 O ATOM 14183 H1 TIP3 4243 10.864 -10.856 1.230 1.00 0.00 WT1 H ATOM 14184 H2 TIP3 4243 -7.944 7.546 -1.140 1.00 0.00 WT1 H ATOM 14185 OH2 TIP3 4245 0.097 1.317 0.288 1.00 0.00 WT1 O ATOM 14186 H1 TIP3 4245 -24.776 -6.963 3.223 1.00 0.00 WT1 H ATOM 14187 H2 TIP3 4245 14.568 -5.954 -14.118 1.00 0.00 WT1 H ATOM 14188 OH2 TIP3 4246 -0.582 4.095 -5.857 1.00 0.00 WT1 O ATOM 14189 H1 TIP3 4246 12.438 8.922 -2.145 1.00 0.00 WT1 H ATOM 14190 H2 TIP3 4246 -6.649 -12.376 -7.188 1.00 0.00 WT1 H ATOM 14191 OH2 TIP3 4247 -3.512 2.746 1.842 1.00 0.00 WT1 O ATOM 14192 H1 TIP3 4247 -14.652 -4.760 -0.960 1.00 0.00 WT1 H ATOM 14193 H2 TIP3 4247 -17.944 -5.761 -8.272 1.00 0.00 WT1 H ATOM 14194 OH2 TIP3 4249 3.318 -3.794 -0.144 1.00 0.00 WT1 O ATOM 14195 H1 TIP3 4249 12.572 -10.238 -23.873 1.00 0.00 WT1 H ATOM 14196 H2 TIP3 4249 -9.500 -12.615 6.496 1.00 0.00 WT1 H ATOM 14197 OH2 TIP3 4251 5.099 -0.441 -1.422 1.00 0.00 WT1 O ATOM 14198 H1 TIP3 4251 4.717 2.559 -20.290 1.00 0.00 WT1 H ATOM 14199 H2 TIP3 4251 -6.334 -21.868 -11.690 1.00 0.00 WT1 H ATOM 14200 OH2 TIP3 4255 0.244 10.062 -1.246 1.00 0.00 WT1 O ATOM 14201 H1 TIP3 4255 -0.403 18.363 3.244 1.00 0.00 WT1 H ATOM 14202 H2 TIP3 4255 -1.645 7.166 -5.870 1.00 0.00 WT1 H ATOM 14203 OH2 TIP3 4258 3.163 3.113 1.446 1.00 0.00 WT1 O ATOM 14204 H1 TIP3 4258 -8.353 -19.038 5.270 1.00 0.00 WT1 H ATOM 14205 H2 TIP3 4258 -15.522 -31.388 7.973 1.00 0.00 WT1 H ATOM 14206 OH2 TIP3 4259 -0.536 6.027 -4.126 1.00 0.00 WT1 O ATOM 14207 H1 TIP3 4259 -5.501 13.282 11.695 1.00 0.00 WT1 H ATOM 14208 H2 TIP3 4259 -9.065 -1.874 0.366 1.00 0.00 WT1 H ATOM 14209 OH2 TIP3 4261 4.219 6.670 -4.571 1.00 0.00 WT1 O ATOM 14210 H1 TIP3 4261 -3.734 -6.082 -11.153 1.00 0.00 WT1 H ATOM 14211 H2 TIP3 4261 16.568 -0.158 10.497 1.00 0.00 WT1 H ATOM 14212 OH2 TIP3 4262 -3.614 -4.885 -0.484 1.00 0.00 WT1 O ATOM 14213 H1 TIP3 4262 3.398 4.668 -6.292 1.00 0.00 WT1 H ATOM 14214 H2 TIP3 4262 -0.061 10.661 4.254 1.00 0.00 WT1 H ATOM 14215 OH2 TIP3 4263 -1.146 3.174 5.026 1.00 0.00 WT1 O ATOM 14216 H1 TIP3 4263 25.384 6.702 -5.372 1.00 0.00 WT1 H ATOM 14217 H2 TIP3 4263 -5.709 5.264 4.091 1.00 0.00 WT1 H ATOM 14218 OH2 TIP3 4264 4.678 -3.881 -3.215 1.00 0.00 WT1 O ATOM 14219 H1 TIP3 4264 7.300 2.036 -0.775 1.00 0.00 WT1 H ATOM 14220 H2 TIP3 4264 2.110 1.424 -2.048 1.00 0.00 WT1 H ATOM 14221 OH2 TIP3 4266 -0.809 2.897 6.162 1.00 0.00 WT1 O ATOM 14222 H1 TIP3 4266 8.731 5.075 27.671 1.00 0.00 WT1 H ATOM 14223 H2 TIP3 4266 -11.342 -8.983 -17.080 1.00 0.00 WT1 H ATOM 14224 OH2 TIP3 4267 1.604 -3.567 -3.336 1.00 0.00 WT1 O ATOM 14225 H1 TIP3 4267 1.797 -5.151 6.091 1.00 0.00 WT1 H ATOM 14226 H2 TIP3 4267 4.280 -6.222 -9.909 1.00 0.00 WT1 H ATOM 14227 OH2 TIP3 4268 -0.773 -4.344 -1.619 1.00 0.00 WT1 O ATOM 14228 H1 TIP3 4268 -11.618 0.777 5.371 1.00 0.00 WT1 H ATOM 14229 H2 TIP3 4268 -12.055 3.390 7.472 1.00 0.00 WT1 H ATOM 14230 OH2 TIP3 4269 0.808 0.163 -6.708 1.00 0.00 WT1 O ATOM 14231 H1 TIP3 4269 6.488 6.875 2.017 1.00 0.00 WT1 H ATOM 14232 H2 TIP3 4269 2.663 2.621 -6.192 1.00 0.00 WT1 H ATOM 14233 OH2 TIP3 4273 -2.447 0.000 2.076 1.00 0.00 WT1 O ATOM 14234 H1 TIP3 4273 2.677 24.024 7.793 1.00 0.00 WT1 H ATOM 14235 H2 TIP3 4273 10.759 2.855 10.389 1.00 0.00 WT1 H ATOM 14236 OH2 TIP3 4279 0.222 1.928 -0.840 1.00 0.00 WT1 O ATOM 14237 H1 TIP3 4279 5.894 7.052 13.932 1.00 0.00 WT1 H ATOM 14238 H2 TIP3 4279 8.746 -2.489 -5.716 1.00 0.00 WT1 H ATOM 14239 OH2 TIP3 4282 -1.184 0.391 3.864 1.00 0.00 WT1 O ATOM 14240 H1 TIP3 4282 0.671 16.448 0.464 1.00 0.00 WT1 H ATOM 14241 H2 TIP3 4282 1.959 -27.473 2.503 1.00 0.00 WT1 H ATOM 14242 OH2 TIP3 4283 -0.516 9.455 2.234 1.00 0.00 WT1 O ATOM 14243 H1 TIP3 4283 -12.183 -9.714 -1.078 1.00 0.00 WT1 H ATOM 14244 H2 TIP3 4283 7.334 14.316 -2.282 1.00 0.00 WT1 H ATOM 14245 OH2 TIP3 4284 -2.357 0.376 -3.171 1.00 0.00 WT1 O ATOM 14246 H1 TIP3 4284 -9.325 -0.567 -13.525 1.00 0.00 WT1 H ATOM 14247 H2 TIP3 4284 2.429 1.926 -4.038 1.00 0.00 WT1 H ATOM 14248 OH2 TIP3 4286 -5.068 2.055 -2.623 1.00 0.00 WT1 O ATOM 14249 H1 TIP3 4286 4.531 1.376 5.848 1.00 0.00 WT1 H ATOM 14250 H2 TIP3 4286 -5.331 -11.175 6.299 1.00 0.00 WT1 H ATOM 14251 OH2 TIP3 4287 -0.761 4.602 -1.437 1.00 0.00 WT1 O ATOM 14252 H1 TIP3 4287 6.559 3.141 -7.190 1.00 0.00 WT1 H ATOM 14253 H2 TIP3 4287 -8.464 0.216 -6.565 1.00 0.00 WT1 H ATOM 14254 OH2 TIP3 4288 -2.574 0.186 6.274 1.00 0.00 WT1 O ATOM 14255 H1 TIP3 4288 8.567 5.670 5.941 1.00 0.00 WT1 H ATOM 14256 H2 TIP3 4288 -6.859 -0.159 9.973 1.00 0.00 WT1 H ATOM 14257 OH2 TIP3 4289 -1.485 -4.481 -6.662 1.00 0.00 WT1 O ATOM 14258 H1 TIP3 4289 -11.097 7.866 17.450 1.00 0.00 WT1 H ATOM 14259 H2 TIP3 4289 -16.473 -19.129 12.421 1.00 0.00 WT1 H ATOM 14260 OH2 TIP3 4290 4.459 1.839 4.543 1.00 0.00 WT1 O ATOM 14261 H1 TIP3 4290 -12.395 16.243 -30.353 1.00 0.00 WT1 H ATOM 14262 H2 TIP3 4290 18.725 7.379 19.941 1.00 0.00 WT1 H ATOM 14263 OH2 TIP3 4292 3.816 0.934 -2.257 1.00 0.00 WT1 O ATOM 14264 H1 TIP3 4292 -13.859 20.728 5.695 1.00 0.00 WT1 H ATOM 14265 H2 TIP3 4292 -7.777 -1.061 1.069 1.00 0.00 WT1 H ATOM 14266 OH2 TIP3 4294 -3.364 -5.503 1.711 1.00 0.00 WT1 O ATOM 14267 H1 TIP3 4294 3.867 -5.552 3.971 1.00 0.00 WT1 H ATOM 14268 H2 TIP3 4294 -6.646 -3.082 -3.995 1.00 0.00 WT1 H ATOM 14269 OH2 TIP3 4296 -8.304 -1.495 3.991 1.00 0.00 WT1 O ATOM 14270 H1 TIP3 4296 3.270 -5.197 5.069 1.00 0.00 WT1 H ATOM 14271 H2 TIP3 4296 3.801 16.585 18.332 1.00 0.00 WT1 H ATOM 14272 OH2 TIP3 4297 -2.595 -1.162 0.047 1.00 0.00 WT1 O ATOM 14273 H1 TIP3 4297 -18.964 -0.554 4.238 1.00 0.00 WT1 H ATOM 14274 H2 TIP3 4297 12.561 1.945 -6.143 1.00 0.00 WT1 H ATOM 14275 OH2 TIP3 4299 1.017 -2.699 -1.247 1.00 0.00 WT1 O ATOM 14276 H1 TIP3 4299 12.294 1.752 -13.465 1.00 0.00 WT1 H ATOM 14277 H2 TIP3 4299 -2.880 7.411 8.513 1.00 0.00 WT1 H ATOM 14278 OH2 TIP3 4301 4.871 -1.531 -0.664 1.00 0.00 WT1 O ATOM 14279 H1 TIP3 4301 3.848 18.230 2.819 1.00 0.00 WT1 H ATOM 14280 H2 TIP3 4301 6.302 -3.422 -17.984 1.00 0.00 WT1 H ATOM 14281 OH2 TIP3 4303 3.089 -4.669 -0.263 1.00 0.00 WT1 O ATOM 14282 H1 TIP3 4303 3.307 -10.078 -4.449 1.00 0.00 WT1 H ATOM 14283 H2 TIP3 4303 1.543 0.577 6.110 1.00 0.00 WT1 H ATOM 14284 OH2 TIP3 4304 2.393 -2.270 -6.275 1.00 0.00 WT1 O ATOM 14285 H1 TIP3 4304 -1.793 5.337 1.668 1.00 0.00 WT1 H ATOM 14286 H2 TIP3 4304 6.450 -6.576 -16.169 1.00 0.00 WT1 H ATOM 14287 OH2 TIP3 4306 -0.512 3.975 -0.639 1.00 0.00 WT1 O ATOM 14288 H1 TIP3 4306 -3.304 -22.170 11.051 1.00 0.00 WT1 H ATOM 14289 H2 TIP3 4306 15.277 8.882 -11.376 1.00 0.00 WT1 H ATOM 14290 OH2 TIP3 4307 -7.037 -3.771 0.251 1.00 0.00 WT1 O ATOM 14291 H1 TIP3 4307 1.054 -2.489 13.103 1.00 0.00 WT1 H ATOM 14292 H2 TIP3 4307 7.627 0.337 1.386 1.00 0.00 WT1 H ATOM 14293 OH2 TIP3 4308 3.618 -2.694 -3.200 1.00 0.00 WT1 O ATOM 14294 H1 TIP3 4308 -10.260 12.930 17.937 1.00 0.00 WT1 H ATOM 14295 H2 TIP3 4308 14.103 8.926 17.793 1.00 0.00 WT1 H ATOM 14296 OH2 TIP3 4309 5.848 -11.222 6.573 1.00 0.00 WT1 O ATOM 14297 H1 TIP3 4309 -13.967 -9.607 1.072 1.00 0.00 WT1 H ATOM 14298 H2 TIP3 4309 -2.493 9.912 2.981 1.00 0.00 WT1 H ATOM 14299 OH2 TIP3 4311 1.644 2.078 4.794 1.00 0.00 WT1 O ATOM 14300 H1 TIP3 4311 -3.151 8.930 -8.393 1.00 0.00 WT1 H ATOM 14301 H2 TIP3 4311 -16.709 28.144 -8.588 1.00 0.00 WT1 H ATOM 14302 OH2 TIP3 4312 -2.239 1.779 -3.222 1.00 0.00 WT1 O ATOM 14303 H1 TIP3 4312 23.012 -4.910 -1.468 1.00 0.00 WT1 H ATOM 14304 H2 TIP3 4312 -6.649 20.630 -11.427 1.00 0.00 WT1 H ATOM 14305 OH2 TIP3 4313 -0.095 5.628 2.620 1.00 0.00 WT1 O ATOM 14306 H1 TIP3 4313 -9.261 3.752 19.299 1.00 0.00 WT1 H ATOM 14307 H2 TIP3 4313 4.503 5.486 4.222 1.00 0.00 WT1 H ATOM 14308 OH2 TIP3 4317 0.658 1.311 -2.457 1.00 0.00 WT1 O ATOM 14309 H1 TIP3 4317 4.671 -25.180 -1.387 1.00 0.00 WT1 H ATOM 14310 H2 TIP3 4317 -0.830 18.801 -3.345 1.00 0.00 WT1 H ATOM 14311 OH2 TIP3 4318 3.848 -6.908 6.384 1.00 0.00 WT1 O ATOM 14312 H1 TIP3 4318 23.253 -2.601 2.328 1.00 0.00 WT1 H ATOM 14313 H2 TIP3 4318 -8.022 -6.091 10.394 1.00 0.00 WT1 H ATOM 14314 OH2 TIP3 4319 1.249 2.596 4.153 1.00 0.00 WT1 O ATOM 14315 H1 TIP3 4319 -9.614 23.804 4.610 1.00 0.00 WT1 H ATOM 14316 H2 TIP3 4319 -1.708 -2.170 3.425 1.00 0.00 WT1 H ATOM 14317 OH2 TIP3 4321 4.286 1.737 -2.324 1.00 0.00 WT1 O ATOM 14318 H1 TIP3 4321 2.422 8.967 -11.503 1.00 0.00 WT1 H ATOM 14319 H2 TIP3 4321 9.225 14.308 -19.232 1.00 0.00 WT1 H ATOM 14320 OH2 TIP3 4322 -5.326 -4.783 2.999 1.00 0.00 WT1 O ATOM 14321 H1 TIP3 4322 -8.612 16.445 -7.929 1.00 0.00 WT1 H ATOM 14322 H2 TIP3 4322 -5.911 0.917 -0.022 1.00 0.00 WT1 H ATOM 14323 OH2 TIP3 4323 -5.023 -3.536 -2.709 1.00 0.00 WT1 O ATOM 14324 H1 TIP3 4323 -12.803 -7.375 -7.481 1.00 0.00 WT1 H ATOM 14325 H2 TIP3 4323 4.919 -2.457 8.443 1.00 0.00 WT1 H ATOM 14326 OH2 TIP3 4325 1.985 -4.243 0.589 1.00 0.00 WT1 O ATOM 14327 H1 TIP3 4325 0.497 -9.388 0.739 1.00 0.00 WT1 H ATOM 14328 H2 TIP3 4325 8.972 -19.035 2.380 1.00 0.00 WT1 H ATOM 14329 OH2 TIP3 4326 3.022 -0.755 3.639 1.00 0.00 WT1 O ATOM 14330 H1 TIP3 4326 29.793 -9.567 13.302 1.00 0.00 WT1 H ATOM 14331 H2 TIP3 4326 -4.407 -2.586 2.869 1.00 0.00 WT1 H ATOM 14332 OH2 TIP3 4328 -0.836 1.912 -3.534 1.00 0.00 WT1 O ATOM 14333 H1 TIP3 4328 -21.706 11.357 -7.007 1.00 0.00 WT1 H ATOM 14334 H2 TIP3 4328 -4.123 2.643 -5.454 1.00 0.00 WT1 H ATOM 14335 OH2 TIP3 4329 -0.571 -2.480 -1.019 1.00 0.00 WT1 O ATOM 14336 H1 TIP3 4329 17.198 -19.621 -6.194 1.00 0.00 WT1 H ATOM 14337 H2 TIP3 4329 23.859 -9.242 -12.832 1.00 0.00 WT1 H ATOM 14338 OH2 TIP3 4330 -1.905 0.377 -0.383 1.00 0.00 WT1 O ATOM 14339 H1 TIP3 4330 -28.265 -7.411 0.861 1.00 0.00 WT1 H ATOM 14340 H2 TIP3 4330 2.849 16.554 -2.346 1.00 0.00 WT1 H ATOM 14341 OH2 TIP3 4333 -0.418 2.918 2.371 1.00 0.00 WT1 O ATOM 14342 H1 TIP3 4333 -5.344 -22.578 -21.553 1.00 0.00 WT1 H ATOM 14343 H2 TIP3 4333 -2.088 1.790 9.499 1.00 0.00 WT1 H ATOM 14344 OH2 TIP3 4334 -4.262 0.125 -2.441 1.00 0.00 WT1 O ATOM 14345 H1 TIP3 4334 -0.837 18.926 -0.214 1.00 0.00 WT1 H ATOM 14346 H2 TIP3 4334 -6.978 -12.737 -5.031 1.00 0.00 WT1 H ATOM 14347 OH2 TIP3 4336 -1.757 -1.986 -2.112 1.00 0.00 WT1 O ATOM 14348 H1 TIP3 4336 15.444 -8.173 -15.234 1.00 0.00 WT1 H ATOM 14349 H2 TIP3 4336 -4.156 2.573 -1.921 1.00 0.00 WT1 H ATOM 14350 OH2 TIP3 4337 3.835 6.738 -0.413 1.00 0.00 WT1 O ATOM 14351 H1 TIP3 4337 12.160 -0.160 1.406 1.00 0.00 WT1 H ATOM 14352 H2 TIP3 4337 8.133 5.925 8.924 1.00 0.00 WT1 H ATOM 14353 OH2 TIP3 4340 -0.909 1.072 0.910 1.00 0.00 WT1 O ATOM 14354 H1 TIP3 4340 -0.611 1.459 0.846 1.00 0.00 WT1 H ATOM 14355 H2 TIP3 4340 5.165 6.696 3.914 1.00 0.00 WT1 H ATOM 14356 OH2 TIP3 4343 -5.096 -7.284 1.053 1.00 0.00 WT1 O ATOM 14357 H1 TIP3 4343 22.923 2.647 27.345 1.00 0.00 WT1 H ATOM 14358 H2 TIP3 4343 6.197 -0.830 10.739 1.00 0.00 WT1 H ATOM 14359 OH2 TIP3 4344 -2.615 3.265 -4.441 1.00 0.00 WT1 O ATOM 14360 H1 TIP3 4344 -16.862 -17.672 -13.626 1.00 0.00 WT1 H ATOM 14361 H2 TIP3 4344 21.592 18.683 21.370 1.00 0.00 WT1 H ATOM 14362 OH2 TIP3 4346 -1.839 0.653 -2.767 1.00 0.00 WT1 O ATOM 14363 H1 TIP3 4346 -9.962 -26.722 -0.503 1.00 0.00 WT1 H ATOM 14364 H2 TIP3 4346 -11.409 13.387 24.502 1.00 0.00 WT1 H ATOM 14365 OH2 TIP3 4347 -1.601 -6.346 1.481 1.00 0.00 WT1 O ATOM 14366 H1 TIP3 4347 -13.040 6.759 2.535 1.00 0.00 WT1 H ATOM 14367 H2 TIP3 4347 -12.936 6.888 4.313 1.00 0.00 WT1 H ATOM 14368 OH2 TIP3 4350 -7.297 -1.614 -0.446 1.00 0.00 WT1 O ATOM 14369 H1 TIP3 4350 6.453 -8.261 12.334 1.00 0.00 WT1 H ATOM 14370 H2 TIP3 4350 1.329 -4.132 3.197 1.00 0.00 WT1 H ATOM 14371 OH2 TIP3 4351 -1.871 -0.020 -2.503 1.00 0.00 WT1 O ATOM 14372 H1 TIP3 4351 -11.099 7.212 -10.716 1.00 0.00 WT1 H ATOM 14373 H2 TIP3 4351 12.166 -10.747 2.732 1.00 0.00 WT1 H ATOM 14374 OH2 TIP3 4352 3.672 -0.692 2.473 1.00 0.00 WT1 O ATOM 14375 H1 TIP3 4352 0.882 -5.508 -0.248 1.00 0.00 WT1 H ATOM 14376 H2 TIP3 4352 6.656 2.169 -1.765 1.00 0.00 WT1 H ATOM 14377 OH2 TIP3 4353 3.969 1.235 -5.564 1.00 0.00 WT1 O ATOM 14378 H1 TIP3 4353 -18.926 -5.147 3.938 1.00 0.00 WT1 H ATOM 14379 H2 TIP3 4353 13.523 16.284 -2.417 1.00 0.00 WT1 H ATOM 14380 OH2 TIP3 4355 -0.771 1.991 5.043 1.00 0.00 WT1 O ATOM 14381 H1 TIP3 4355 -6.898 -1.166 2.015 1.00 0.00 WT1 H ATOM 14382 H2 TIP3 4355 -2.588 -2.946 -1.028 1.00 0.00 WT1 H ATOM 14383 OH2 TIP3 4356 0.813 0.204 9.628 1.00 0.00 WT1 O ATOM 14384 H1 TIP3 4356 11.450 6.863 -12.600 1.00 0.00 WT1 H ATOM 14385 H2 TIP3 4356 23.251 12.170 -9.739 1.00 0.00 WT1 H ATOM 14386 OH2 TIP3 4357 -3.367 -2.550 7.263 1.00 0.00 WT1 O ATOM 14387 H1 TIP3 4357 0.464 -8.791 5.304 1.00 0.00 WT1 H ATOM 14388 H2 TIP3 4357 7.960 5.946 14.225 1.00 0.00 WT1 H ATOM 14389 OH2 TIP3 4363 0.554 -2.452 0.433 1.00 0.00 WT1 O ATOM 14390 H1 TIP3 4363 -1.805 -10.569 -1.120 1.00 0.00 WT1 H ATOM 14391 H2 TIP3 4363 6.101 -0.593 5.325 1.00 0.00 WT1 H ATOM 14392 OH2 TIP3 4364 -3.725 6.955 -4.661 1.00 0.00 WT1 O ATOM 14393 H1 TIP3 4364 0.476 7.038 -7.610 1.00 0.00 WT1 H ATOM 14394 H2 TIP3 4364 13.312 -10.825 0.509 1.00 0.00 WT1 H ATOM 14395 OH2 TIP3 4365 1.295 -5.411 -2.404 1.00 0.00 WT1 O ATOM 14396 H1 TIP3 4365 5.873 5.241 20.243 1.00 0.00 WT1 H ATOM 14397 H2 TIP3 4365 10.455 -15.415 -13.887 1.00 0.00 WT1 H ATOM 14398 OH2 TIP3 4366 5.151 -6.213 -0.784 1.00 0.00 WT1 O ATOM 14399 H1 TIP3 4366 -12.438 -2.750 32.356 1.00 0.00 WT1 H ATOM 14400 H2 TIP3 4366 9.803 12.249 -26.603 1.00 0.00 WT1 H ATOM 14401 OH2 TIP3 4372 10.898 -10.490 0.402 1.00 0.00 WT1 O ATOM 14402 H1 TIP3 4372 -13.936 -14.220 15.958 1.00 0.00 WT1 H ATOM 14403 H2 TIP3 4372 -23.351 11.342 4.153 1.00 0.00 WT1 H ATOM 14404 OH2 TIP3 4373 2.320 0.762 -2.893 1.00 0.00 WT1 O ATOM 14405 H1 TIP3 4373 8.717 -3.072 -11.528 1.00 0.00 WT1 H ATOM 14406 H2 TIP3 4373 9.098 11.105 1.882 1.00 0.00 WT1 H ATOM 14407 OH2 TIP3 4374 7.576 -2.596 6.531 1.00 0.00 WT1 O ATOM 14408 H1 TIP3 4374 8.090 -6.663 11.454 1.00 0.00 WT1 H ATOM 14409 H2 TIP3 4374 7.501 -7.009 7.022 1.00 0.00 WT1 H ATOM 14410 OH2 TIP3 4375 2.209 1.993 0.013 1.00 0.00 WT1 O ATOM 14411 H1 TIP3 4375 0.983 1.392 2.665 1.00 0.00 WT1 H ATOM 14412 H2 TIP3 4375 15.067 -17.889 20.121 1.00 0.00 WT1 H ATOM 14413 OH2 TIP3 4376 1.960 -0.052 3.297 1.00 0.00 WT1 O ATOM 14414 H1 TIP3 4376 11.247 0.471 17.496 1.00 0.00 WT1 H ATOM 14415 H2 TIP3 4376 0.129 -11.117 -2.361 1.00 0.00 WT1 H ATOM 14416 OH2 TIP3 4377 4.498 -7.206 0.548 1.00 0.00 WT1 O ATOM 14417 H1 TIP3 4377 2.126 -10.150 -13.398 1.00 0.00 WT1 H ATOM 14418 H2 TIP3 4377 -0.195 -15.164 9.598 1.00 0.00 WT1 H ATOM 14419 OH2 TIP3 4378 -5.006 -5.288 1.317 1.00 0.00 WT1 O ATOM 14420 H1 TIP3 4378 -10.263 33.087 0.350 1.00 0.00 WT1 H ATOM 14421 H2 TIP3 4378 -2.570 -21.288 1.783 1.00 0.00 WT1 H ATOM 14422 OH2 TIP3 4379 -1.857 -3.328 8.068 1.00 0.00 WT1 O ATOM 14423 H1 TIP3 4379 -4.507 -15.906 1.743 1.00 0.00 WT1 H ATOM 14424 H2 TIP3 4379 12.497 -3.891 11.188 1.00 0.00 WT1 H ATOM 14425 OH2 TIP3 4380 -1.876 1.489 -0.197 1.00 0.00 WT1 O ATOM 14426 H1 TIP3 4380 6.718 -12.688 9.988 1.00 0.00 WT1 H ATOM 14427 H2 TIP3 4380 10.745 -2.206 -8.078 1.00 0.00 WT1 H ATOM 14428 OH2 TIP3 4381 4.587 5.293 0.175 1.00 0.00 WT1 O ATOM 14429 H1 TIP3 4381 -18.822 8.042 -3.952 1.00 0.00 WT1 H ATOM 14430 H2 TIP3 4381 10.538 -1.359 15.573 1.00 0.00 WT1 H ATOM 14431 OH2 TIP3 4382 -1.695 3.793 -0.789 1.00 0.00 WT1 O ATOM 14432 H1 TIP3 4382 1.851 9.385 -3.815 1.00 0.00 WT1 H ATOM 14433 H2 TIP3 4382 -8.627 3.224 -2.746 1.00 0.00 WT1 H ATOM 14434 OH2 TIP3 4383 -0.039 -6.623 1.490 1.00 0.00 WT1 O ATOM 14435 H1 TIP3 4383 9.427 -0.577 3.268 1.00 0.00 WT1 H ATOM 14436 H2 TIP3 4383 -2.340 1.006 -14.531 1.00 0.00 WT1 H ATOM 14437 OH2 TIP3 4384 2.959 1.395 -4.026 1.00 0.00 WT1 O ATOM 14438 H1 TIP3 4384 5.396 4.452 2.501 1.00 0.00 WT1 H ATOM 14439 H2 TIP3 4384 19.689 -6.285 10.144 1.00 0.00 WT1 H ATOM 14440 OH2 TIP3 4386 -3.941 -6.246 -1.646 1.00 0.00 WT1 O ATOM 14441 H1 TIP3 4386 -12.226 -8.218 -10.245 1.00 0.00 WT1 H ATOM 14442 H2 TIP3 4386 2.635 0.439 0.414 1.00 0.00 WT1 H ATOM 14443 OH2 TIP3 4387 -2.547 3.331 2.573 1.00 0.00 WT1 O ATOM 14444 H1 TIP3 4387 -10.327 0.512 -5.924 1.00 0.00 WT1 H ATOM 14445 H2 TIP3 4387 -1.937 -6.033 9.832 1.00 0.00 WT1 H ATOM 14446 OH2 TIP3 4388 1.552 -6.306 1.273 1.00 0.00 WT1 O ATOM 14447 H1 TIP3 4388 6.318 7.260 4.241 1.00 0.00 WT1 H ATOM 14448 H2 TIP3 4388 16.293 -12.323 5.487 1.00 0.00 WT1 H ATOM 14449 OH2 TIP3 4389 -8.602 0.099 3.857 1.00 0.00 WT1 O ATOM 14450 H1 TIP3 4389 -2.229 -9.307 5.055 1.00 0.00 WT1 H ATOM 14451 H2 TIP3 4389 -7.510 -9.278 0.676 1.00 0.00 WT1 H ATOM 14452 OH2 TIP3 4390 -0.665 1.576 -2.538 1.00 0.00 WT1 O ATOM 14453 H1 TIP3 4390 2.199 4.007 16.361 1.00 0.00 WT1 H ATOM 14454 H2 TIP3 4390 8.494 3.547 21.263 1.00 0.00 WT1 H ATOM 14455 OH2 TIP3 4391 -6.832 0.278 -0.059 1.00 0.00 WT1 O ATOM 14456 H1 TIP3 4391 6.945 -44.813 9.493 1.00 0.00 WT1 H ATOM 14457 H2 TIP3 4391 14.463 -14.274 -2.630 1.00 0.00 WT1 H ATOM 14458 OH2 TIP3 4392 2.182 3.587 -4.147 1.00 0.00 WT1 O ATOM 14459 H1 TIP3 4392 3.383 3.030 -4.707 1.00 0.00 WT1 H ATOM 14460 H2 TIP3 4392 11.540 -0.486 -7.406 1.00 0.00 WT1 H ATOM 14461 OH2 TIP3 4394 -2.278 10.210 1.007 1.00 0.00 WT1 O ATOM 14462 H1 TIP3 4394 -0.200 3.004 0.779 1.00 0.00 WT1 H ATOM 14463 H2 TIP3 4394 -11.326 16.955 -5.538 1.00 0.00 WT1 H ATOM 14464 OH2 TIP3 4395 -4.334 4.494 9.491 1.00 0.00 WT1 O ATOM 14465 H1 TIP3 4395 -9.762 22.503 2.118 1.00 0.00 WT1 H ATOM 14466 H2 TIP3 4395 1.486 -7.032 -10.757 1.00 0.00 WT1 H ATOM 14467 OH2 TIP3 4396 -0.840 1.635 0.300 1.00 0.00 WT1 O ATOM 14468 H1 TIP3 4396 -9.218 -9.439 -10.463 1.00 0.00 WT1 H ATOM 14469 H2 TIP3 4396 -21.340 29.163 9.144 1.00 0.00 WT1 H ATOM 14470 OH2 TIP3 4397 -5.947 1.233 1.280 1.00 0.00 WT1 O ATOM 14471 H1 TIP3 4397 2.913 12.421 5.455 1.00 0.00 WT1 H ATOM 14472 H2 TIP3 4397 -11.529 3.519 -16.001 1.00 0.00 WT1 H ATOM 14473 OH2 TIP3 4398 5.687 9.204 -2.353 1.00 0.00 WT1 O ATOM 14474 H1 TIP3 4398 2.682 -18.235 -7.672 1.00 0.00 WT1 H ATOM 14475 H2 TIP3 4398 19.606 31.282 14.482 1.00 0.00 WT1 H ATOM 14476 OH2 TIP3 4401 2.647 1.163 -3.297 1.00 0.00 WT1 O ATOM 14477 H1 TIP3 4401 -4.449 7.365 -5.254 1.00 0.00 WT1 H ATOM 14478 H2 TIP3 4401 -9.808 7.896 12.477 1.00 0.00 WT1 H ATOM 14479 OH2 TIP3 4402 3.335 5.770 -0.739 1.00 0.00 WT1 O ATOM 14480 H1 TIP3 4402 -5.889 2.721 1.025 1.00 0.00 WT1 H ATOM 14481 H2 TIP3 4402 -0.630 5.107 0.330 1.00 0.00 WT1 H ATOM 14482 OH2 TIP3 4403 4.359 4.868 -3.282 1.00 0.00 WT1 O ATOM 14483 H1 TIP3 4403 0.329 -5.045 12.573 1.00 0.00 WT1 H ATOM 14484 H2 TIP3 4403 -7.619 3.321 1.984 1.00 0.00 WT1 H ATOM 14485 OH2 TIP3 4404 -1.199 2.721 1.836 1.00 0.00 WT1 O ATOM 14486 H1 TIP3 4404 -12.773 -3.795 3.630 1.00 0.00 WT1 H ATOM 14487 H2 TIP3 4404 -0.032 16.837 28.314 1.00 0.00 WT1 H ATOM 14488 OH2 TIP3 4405 -1.059 2.665 -8.250 1.00 0.00 WT1 O ATOM 14489 H1 TIP3 4405 -3.301 5.616 -5.873 1.00 0.00 WT1 H ATOM 14490 H2 TIP3 4405 2.012 1.262 -7.036 1.00 0.00 WT1 H ATOM 14491 OH2 TIP3 4407 2.561 -3.261 -1.927 1.00 0.00 WT1 O ATOM 14492 H1 TIP3 4407 1.390 19.198 10.357 1.00 0.00 WT1 H ATOM 14493 H2 TIP3 4407 11.529 -5.779 11.032 1.00 0.00 WT1 H ATOM 14494 OH2 TIP3 4409 5.817 4.474 5.437 1.00 0.00 WT1 O ATOM 14495 H1 TIP3 4409 0.780 -6.813 13.028 1.00 0.00 WT1 H ATOM 14496 H2 TIP3 4409 -0.817 -11.297 18.567 1.00 0.00 WT1 H ATOM 14497 OH2 TIP3 4411 2.859 0.718 1.981 1.00 0.00 WT1 O ATOM 14498 H1 TIP3 4411 0.598 1.137 -1.455 1.00 0.00 WT1 H ATOM 14499 H2 TIP3 4411 8.179 -6.650 12.115 1.00 0.00 WT1 H ATOM 14500 OH2 TIP3 4412 6.881 -0.246 2.014 1.00 0.00 WT1 O ATOM 14501 H1 TIP3 4412 14.027 6.867 -1.107 1.00 0.00 WT1 H ATOM 14502 H2 TIP3 4412 9.381 1.051 1.411 1.00 0.00 WT1 H ATOM 14503 OH2 TIP3 4414 -2.403 5.462 0.797 1.00 0.00 WT1 O ATOM 14504 H1 TIP3 4414 9.980 3.246 3.252 1.00 0.00 WT1 H ATOM 14505 H2 TIP3 4414 -19.800 18.361 -7.318 1.00 0.00 WT1 H ATOM 14506 OH2 TIP3 4415 3.072 1.336 -6.004 1.00 0.00 WT1 O ATOM 14507 H1 TIP3 4415 3.930 8.549 -9.999 1.00 0.00 WT1 H ATOM 14508 H2 TIP3 4415 6.455 -1.562 -4.338 1.00 0.00 WT1 H ATOM 14509 OH2 TIP3 4416 -1.251 -2.883 -3.519 1.00 0.00 WT1 O ATOM 14510 H1 TIP3 4416 -12.812 27.461 -10.288 1.00 0.00 WT1 H ATOM 14511 H2 TIP3 4416 -9.784 -7.719 -2.800 1.00 0.00 WT1 H ATOM 14512 OH2 TIP3 4417 3.420 -3.124 -3.923 1.00 0.00 WT1 O ATOM 14513 H1 TIP3 4417 -1.396 -16.023 16.227 1.00 0.00 WT1 H ATOM 14514 H2 TIP3 4417 -6.893 -3.569 4.249 1.00 0.00 WT1 H ATOM 14515 OH2 TIP3 4419 3.358 4.041 6.165 1.00 0.00 WT1 O ATOM 14516 H1 TIP3 4419 3.844 5.425 13.963 1.00 0.00 WT1 H ATOM 14517 H2 TIP3 4419 -8.905 5.167 -0.597 1.00 0.00 WT1 H ATOM 14518 OH2 TIP3 4421 0.553 -0.251 0.884 1.00 0.00 WT1 O ATOM 14519 H1 TIP3 4421 -1.703 -1.008 2.532 1.00 0.00 WT1 H ATOM 14520 H2 TIP3 4421 0.099 -0.271 1.195 1.00 0.00 WT1 H ATOM 14521 OH2 TIP3 4422 1.822 -3.503 -4.769 1.00 0.00 WT1 O ATOM 14522 H1 TIP3 4422 -4.227 -8.990 -4.499 1.00 0.00 WT1 H ATOM 14523 H2 TIP3 4422 1.224 -27.263 -14.054 1.00 0.00 WT1 H ATOM 14524 OH2 TIP3 4425 -2.580 1.115 -2.418 1.00 0.00 WT1 O ATOM 14525 H1 TIP3 4425 -1.062 -0.400 -7.297 1.00 0.00 WT1 H ATOM 14526 H2 TIP3 4425 -8.642 9.112 13.033 1.00 0.00 WT1 H ATOM 14527 OH2 TIP3 4427 3.245 3.359 5.716 1.00 0.00 WT1 O ATOM 14528 H1 TIP3 4427 -15.105 1.205 -0.905 1.00 0.00 WT1 H ATOM 14529 H2 TIP3 4427 12.979 2.774 -0.168 1.00 0.00 WT1 H ATOM 14530 OH2 TIP3 4428 0.564 -0.493 2.419 1.00 0.00 WT1 O ATOM 14531 H1 TIP3 4428 -18.951 16.372 -3.700 1.00 0.00 WT1 H ATOM 14532 H2 TIP3 4428 -1.528 -17.851 6.476 1.00 0.00 WT1 H ATOM 14533 OH2 TIP3 4429 -5.223 7.232 -5.248 1.00 0.00 WT1 O ATOM 14534 H1 TIP3 4429 -29.698 2.546 10.309 1.00 0.00 WT1 H ATOM 14535 H2 TIP3 4429 2.305 17.763 13.830 1.00 0.00 WT1 H ATOM 14536 OH2 TIP3 4432 -7.849 -0.713 -2.653 1.00 0.00 WT1 O ATOM 14537 H1 TIP3 4432 0.830 -5.757 -2.275 1.00 0.00 WT1 H ATOM 14538 H2 TIP3 4432 1.592 11.765 1.954 1.00 0.00 WT1 H ATOM 14539 OH2 TIP3 4433 3.253 -6.745 5.148 1.00 0.00 WT1 O ATOM 14540 H1 TIP3 4433 18.576 3.094 3.799 1.00 0.00 WT1 H ATOM 14541 H2 TIP3 4433 -25.358 -0.883 -1.832 1.00 0.00 WT1 H ATOM 14542 OH2 TIP3 4434 2.755 -8.478 -0.320 1.00 0.00 WT1 O ATOM 14543 H1 TIP3 4434 2.503 -6.907 -10.439 1.00 0.00 WT1 H ATOM 14544 H2 TIP3 4434 8.321 -11.565 -6.423 1.00 0.00 WT1 H ATOM 14545 OH2 TIP3 4435 -8.427 1.626 3.346 1.00 0.00 WT1 O ATOM 14546 H1 TIP3 4435 -4.525 -3.976 -1.566 1.00 0.00 WT1 H ATOM 14547 H2 TIP3 4435 11.298 -4.761 -2.321 1.00 0.00 WT1 H ATOM 14548 OH2 TIP3 4436 3.580 3.573 0.425 1.00 0.00 WT1 O ATOM 14549 H1 TIP3 4436 10.009 8.621 -13.926 1.00 0.00 WT1 H ATOM 14550 H2 TIP3 4436 18.719 -2.260 10.727 1.00 0.00 WT1 H ATOM 14551 OH2 TIP3 4437 -9.507 -13.596 5.416 1.00 0.00 WT1 O ATOM 14552 H1 TIP3 4437 -13.337 0.425 -4.132 1.00 0.00 WT1 H ATOM 14553 H2 TIP3 4437 -6.764 -8.371 4.387 1.00 0.00 WT1 H ATOM 14554 OH2 TIP3 4438 -1.966 -0.557 -4.130 1.00 0.00 WT1 O ATOM 14555 H1 TIP3 4438 6.026 3.569 -23.331 1.00 0.00 WT1 H ATOM 14556 H2 TIP3 4438 -18.027 -1.445 -15.330 1.00 0.00 WT1 H ATOM 14557 OH2 TIP3 4441 -2.694 -0.670 4.208 1.00 0.00 WT1 O ATOM 14558 H1 TIP3 4441 0.326 11.499 -11.812 1.00 0.00 WT1 H ATOM 14559 H2 TIP3 4441 13.558 -14.501 0.866 1.00 0.00 WT1 H ATOM 14560 OH2 TIP3 4442 0.145 -4.495 -0.821 1.00 0.00 WT1 O ATOM 14561 H1 TIP3 4442 -19.642 1.278 13.874 1.00 0.00 WT1 H ATOM 14562 H2 TIP3 4442 -11.507 -13.375 2.330 1.00 0.00 WT1 H ATOM 14563 OH2 TIP3 4443 1.943 3.895 1.455 1.00 0.00 WT1 O ATOM 14564 H1 TIP3 4443 -1.430 -3.762 9.528 1.00 0.00 WT1 H ATOM 14565 H2 TIP3 4443 5.829 11.416 1.028 1.00 0.00 WT1 H ATOM 14566 OH2 TIP3 4444 3.443 -2.720 -5.400 1.00 0.00 WT1 O ATOM 14567 H1 TIP3 4444 -3.278 0.969 4.915 1.00 0.00 WT1 H ATOM 14568 H2 TIP3 4444 -2.351 -11.551 -12.860 1.00 0.00 WT1 H ATOM 14569 OH2 TIP3 4446 1.912 -5.758 5.560 1.00 0.00 WT1 O ATOM 14570 H1 TIP3 4446 17.077 -4.353 -6.297 1.00 0.00 WT1 H ATOM 14571 H2 TIP3 4446 11.867 -5.326 -11.063 1.00 0.00 WT1 H ATOM 14572 OH2 TIP3 4449 -3.366 -7.824 -6.054 1.00 0.00 WT1 O ATOM 14573 H1 TIP3 4449 -29.423 -0.446 -14.675 1.00 0.00 WT1 H ATOM 14574 H2 TIP3 4449 -20.407 -20.795 0.746 1.00 0.00 WT1 H ATOM 14575 OH2 TIP3 4450 2.571 -1.487 4.926 1.00 0.00 WT1 O ATOM 14576 H1 TIP3 4450 5.462 -4.517 -14.236 1.00 0.00 WT1 H ATOM 14577 H2 TIP3 4450 -11.242 14.152 -0.722 1.00 0.00 WT1 H ATOM 14578 OH2 TIP3 4451 2.409 -0.949 3.000 1.00 0.00 WT1 O ATOM 14579 H1 TIP3 4451 -15.897 10.758 6.481 1.00 0.00 WT1 H ATOM 14580 H2 TIP3 4451 -14.091 25.759 -30.620 1.00 0.00 WT1 H ATOM 14581 OH2 TIP3 4452 -2.147 1.359 -0.205 1.00 0.00 WT1 O ATOM 14582 H1 TIP3 4452 5.331 -1.597 -13.378 1.00 0.00 WT1 H ATOM 14583 H2 TIP3 4452 -4.777 2.867 5.020 1.00 0.00 WT1 H ATOM 14584 OH2 TIP3 4453 -1.113 1.441 -2.823 1.00 0.00 WT1 O ATOM 14585 H1 TIP3 4453 7.920 24.757 -2.193 1.00 0.00 WT1 H ATOM 14586 H2 TIP3 4453 11.228 -22.366 -5.347 1.00 0.00 WT1 H ATOM 14587 OH2 TIP3 4454 -1.910 3.530 -8.667 1.00 0.00 WT1 O ATOM 14588 H1 TIP3 4454 -0.172 9.110 -6.504 1.00 0.00 WT1 H ATOM 14589 H2 TIP3 4454 -6.697 5.342 -3.661 1.00 0.00 WT1 H ATOM 14590 OH2 TIP3 4455 2.655 0.618 10.022 1.00 0.00 WT1 O ATOM 14591 H1 TIP3 4455 13.948 -6.747 15.244 1.00 0.00 WT1 H ATOM 14592 H2 TIP3 4455 33.672 20.977 4.511 1.00 0.00 WT1 H ATOM 14593 OH2 TIP3 4456 -2.945 5.165 1.036 1.00 0.00 WT1 O ATOM 14594 H1 TIP3 4456 -0.036 18.762 -6.649 1.00 0.00 WT1 H ATOM 14595 H2 TIP3 4456 1.574 7.365 0.818 1.00 0.00 WT1 H ATOM 14596 OH2 TIP3 4457 5.596 -7.645 -1.512 1.00 0.00 WT1 O ATOM 14597 H1 TIP3 4457 -10.283 12.065 2.479 1.00 0.00 WT1 H ATOM 14598 H2 TIP3 4457 17.918 -0.424 -4.699 1.00 0.00 WT1 H ATOM 14599 OH2 TIP3 4459 -2.240 -3.756 2.296 1.00 0.00 WT1 O ATOM 14600 H1 TIP3 4459 -4.537 1.526 6.769 1.00 0.00 WT1 H ATOM 14601 H2 TIP3 4459 -3.761 -4.045 4.103 1.00 0.00 WT1 H ATOM 14602 OH2 TIP3 4460 -6.469 3.108 1.070 1.00 0.00 WT1 O ATOM 14603 H1 TIP3 4460 -14.302 -8.584 7.835 1.00 0.00 WT1 H ATOM 14604 H2 TIP3 4460 -13.268 -11.282 -16.878 1.00 0.00 WT1 H ATOM 14605 OH2 TIP3 4461 8.696 2.793 2.964 1.00 0.00 WT1 O ATOM 14606 H1 TIP3 4461 23.533 -4.955 -11.738 1.00 0.00 WT1 H ATOM 14607 H2 TIP3 4461 -14.413 -9.700 6.469 1.00 0.00 WT1 H ATOM 14608 OH2 TIP3 4462 3.095 4.855 -1.094 1.00 0.00 WT1 O ATOM 14609 H1 TIP3 4462 -16.170 -4.209 44.111 1.00 0.00 WT1 H ATOM 14610 H2 TIP3 4462 -1.129 3.043 -10.138 1.00 0.00 WT1 H ATOM 14611 OH2 TIP3 4463 3.967 -4.491 2.880 1.00 0.00 WT1 O ATOM 14612 H1 TIP3 4463 -1.542 -8.077 6.733 1.00 0.00 WT1 H ATOM 14613 H2 TIP3 4463 0.343 3.509 7.214 1.00 0.00 WT1 H ATOM 14614 OH2 TIP3 4464 4.601 -1.224 1.623 1.00 0.00 WT1 O ATOM 14615 H1 TIP3 4464 -15.581 8.245 2.898 1.00 0.00 WT1 H ATOM 14616 H2 TIP3 4464 8.044 -13.150 7.846 1.00 0.00 WT1 H ATOM 14617 OH2 TIP3 4465 0.958 2.087 0.291 1.00 0.00 WT1 O ATOM 14618 H1 TIP3 4465 13.397 7.907 6.222 1.00 0.00 WT1 H ATOM 14619 H2 TIP3 4465 -4.757 0.793 -4.197 1.00 0.00 WT1 H ATOM 14620 OH2 TIP3 4466 -4.252 -5.584 0.151 1.00 0.00 WT1 O ATOM 14621 H1 TIP3 4466 -0.037 -9.782 -8.287 1.00 0.00 WT1 H ATOM 14622 H2 TIP3 4466 -0.281 3.942 5.412 1.00 0.00 WT1 H ATOM 14623 OH2 TIP3 4467 2.294 2.348 3.092 1.00 0.00 WT1 O ATOM 14624 H1 TIP3 4467 -7.253 -13.611 -2.706 1.00 0.00 WT1 H ATOM 14625 H2 TIP3 4467 -4.966 15.801 13.351 1.00 0.00 WT1 H ATOM 14626 OH2 TIP3 4468 -0.638 2.031 2.041 1.00 0.00 WT1 O ATOM 14627 H1 TIP3 4468 -3.572 14.499 -22.593 1.00 0.00 WT1 H ATOM 14628 H2 TIP3 4468 -27.568 3.382 13.259 1.00 0.00 WT1 H ATOM 14629 OH2 TIP3 4469 -4.950 -3.668 -1.150 1.00 0.00 WT1 O ATOM 14630 H1 TIP3 4469 5.079 3.816 13.774 1.00 0.00 WT1 H ATOM 14631 H2 TIP3 4469 14.260 -14.277 -3.930 1.00 0.00 WT1 H ATOM 14632 OH2 TIP3 4470 2.788 -6.461 3.279 1.00 0.00 WT1 O ATOM 14633 H1 TIP3 4470 11.279 -15.860 3.796 1.00 0.00 WT1 H ATOM 14634 H2 TIP3 4470 5.447 -2.795 10.942 1.00 0.00 WT1 H ATOM 14635 OH2 TIP3 4472 3.278 13.009 -5.912 1.00 0.00 WT1 O ATOM 14636 H1 TIP3 4472 -2.645 1.282 -3.212 1.00 0.00 WT1 H ATOM 14637 H2 TIP3 4472 6.001 17.680 -6.450 1.00 0.00 WT1 H ATOM 14638 OH2 TIP3 4473 -3.593 -3.580 -4.578 1.00 0.00 WT1 O ATOM 14639 H1 TIP3 4473 0.644 -25.083 -19.154 1.00 0.00 WT1 H ATOM 14640 H2 TIP3 4473 -5.321 0.769 -6.604 1.00 0.00 WT1 H ATOM 14641 OH2 TIP3 4474 -3.787 1.522 2.468 1.00 0.00 WT1 O ATOM 14642 H1 TIP3 4474 -3.269 -4.773 -1.491 1.00 0.00 WT1 H ATOM 14643 H2 TIP3 4474 -3.816 1.071 4.811 1.00 0.00 WT1 H ATOM 14644 OH2 TIP3 4475 1.652 -1.889 7.482 1.00 0.00 WT1 O ATOM 14645 H1 TIP3 4475 12.649 -3.416 11.402 1.00 0.00 WT1 H ATOM 14646 H2 TIP3 4475 31.580 -1.353 14.347 1.00 0.00 WT1 H ATOM 14647 OH2 TIP3 4476 -2.652 -5.055 3.776 1.00 0.00 WT1 O ATOM 14648 H1 TIP3 4476 12.297 23.931 -7.685 1.00 0.00 WT1 H ATOM 14649 H2 TIP3 4476 -3.599 -17.648 6.699 1.00 0.00 WT1 H ATOM 14650 OH2 TIP3 4477 8.335 -5.650 1.273 1.00 0.00 WT1 O ATOM 14651 H1 TIP3 4477 -9.400 -12.728 10.719 1.00 0.00 WT1 H ATOM 14652 H2 TIP3 4477 18.050 2.320 -4.750 1.00 0.00 WT1 H ATOM 14653 OH2 TIP3 4478 -2.272 0.936 1.996 1.00 0.00 WT1 O ATOM 14654 H1 TIP3 4478 4.384 1.645 9.615 1.00 0.00 WT1 H ATOM 14655 H2 TIP3 4478 -14.725 -8.122 4.286 1.00 0.00 WT1 H ATOM 14656 OH2 TIP3 4479 -1.586 2.578 1.652 1.00 0.00 WT1 O ATOM 14657 H1 TIP3 4479 24.049 21.216 20.014 1.00 0.00 WT1 H ATOM 14658 H2 TIP3 4479 -18.726 5.632 -6.817 1.00 0.00 WT1 H ATOM 14659 OH2 TIP3 4480 -3.054 6.532 0.217 1.00 0.00 WT1 O ATOM 14660 H1 TIP3 4480 6.050 -0.988 9.522 1.00 0.00 WT1 H ATOM 14661 H2 TIP3 4480 5.652 12.307 -9.426 1.00 0.00 WT1 H ATOM 14662 OH2 TIP3 4481 0.875 -3.231 0.865 1.00 0.00 WT1 O ATOM 14663 H1 TIP3 4481 -21.968 -9.742 -22.945 1.00 0.00 WT1 H ATOM 14664 H2 TIP3 4481 17.328 -35.096 -5.370 1.00 0.00 WT1 H ATOM 14665 OH2 TIP3 4482 3.026 7.190 -6.339 1.00 0.00 WT1 O ATOM 14666 H1 TIP3 4482 -6.564 21.269 -13.684 1.00 0.00 WT1 H ATOM 14667 H2 TIP3 4482 11.548 -6.739 1.617 1.00 0.00 WT1 H ATOM 14668 OH2 TIP3 4483 -4.365 -4.497 6.196 1.00 0.00 WT1 O ATOM 14669 H1 TIP3 4483 2.739 -3.179 5.684 1.00 0.00 WT1 H ATOM 14670 H2 TIP3 4483 16.190 -4.694 -0.217 1.00 0.00 WT1 H ATOM 14671 OH2 TIP3 4485 0.488 2.269 3.439 1.00 0.00 WT1 O ATOM 14672 H1 TIP3 4485 -12.932 -19.398 1.843 1.00 0.00 WT1 H ATOM 14673 H2 TIP3 4485 -5.481 11.412 -17.520 1.00 0.00 WT1 H ATOM 14674 OH2 TIP3 4487 3.124 -0.297 3.576 1.00 0.00 WT1 O ATOM 14675 H1 TIP3 4487 3.165 -0.091 4.891 1.00 0.00 WT1 H ATOM 14676 H2 TIP3 4487 2.424 -1.724 -10.679 1.00 0.00 WT1 H ATOM 14677 OH2 TIP3 4489 2.675 4.082 6.803 1.00 0.00 WT1 O ATOM 14678 H1 TIP3 4489 0.244 7.696 13.432 1.00 0.00 WT1 H ATOM 14679 H2 TIP3 4489 20.771 -25.702 -14.728 1.00 0.00 WT1 H ATOM 14680 OH2 TIP3 4491 -3.439 3.737 0.572 1.00 0.00 WT1 O ATOM 14681 H1 TIP3 4491 1.045 17.096 -17.902 1.00 0.00 WT1 H ATOM 14682 H2 TIP3 4491 -17.557 -11.251 -6.934 1.00 0.00 WT1 H ATOM 14683 OH2 TIP3 4492 1.339 4.729 8.760 1.00 0.00 WT1 O ATOM 14684 H1 TIP3 4492 5.358 -3.452 2.011 1.00 0.00 WT1 H ATOM 14685 H2 TIP3 4492 -5.424 -1.189 7.238 1.00 0.00 WT1 H ATOM 14686 OH2 TIP3 4493 1.218 -4.195 -7.254 1.00 0.00 WT1 O ATOM 14687 H1 TIP3 4493 29.170 -8.670 -21.074 1.00 0.00 WT1 H ATOM 14688 H2 TIP3 4493 9.053 9.526 -3.615 1.00 0.00 WT1 H ATOM 14689 OH2 TIP3 4495 -3.160 -9.920 1.998 1.00 0.00 WT1 O ATOM 14690 H1 TIP3 4495 -2.437 -10.330 1.352 1.00 0.00 WT1 H ATOM 14691 H2 TIP3 4495 -8.013 -12.439 4.986 1.00 0.00 WT1 H ATOM 14692 OH2 TIP3 4496 -2.655 -4.657 1.898 1.00 0.00 WT1 O ATOM 14693 H1 TIP3 4496 15.554 11.072 -12.310 1.00 0.00 WT1 H ATOM 14694 H2 TIP3 4496 -20.456 -13.484 -15.677 1.00 0.00 WT1 H ATOM 14695 OH2 TIP3 4497 6.257 4.109 -4.093 1.00 0.00 WT1 O ATOM 14696 H1 TIP3 4497 8.062 7.742 -14.795 1.00 0.00 WT1 H ATOM 14697 H2 TIP3 4497 1.097 16.473 1.159 1.00 0.00 WT1 H ATOM 14698 OH2 TIP3 4499 -2.906 -3.419 -2.913 1.00 0.00 WT1 O ATOM 14699 H1 TIP3 4499 -7.813 -2.807 6.700 1.00 0.00 WT1 H ATOM 14700 H2 TIP3 4499 -5.244 -5.703 -3.226 1.00 0.00 WT1 H ATOM 14701 OH2 TIP3 4500 0.163 -3.634 -5.019 1.00 0.00 WT1 O ATOM 14702 H1 TIP3 4500 2.210 -4.358 -18.134 1.00 0.00 WT1 H ATOM 14703 H2 TIP3 4500 20.579 1.012 11.189 1.00 0.00 WT1 H ATOM 14704 OH2 TIP3 4501 0.542 1.244 -1.773 1.00 0.00 WT1 O ATOM 14705 H1 TIP3 4501 22.971 8.412 -9.353 1.00 0.00 WT1 H ATOM 14706 H2 TIP3 4501 4.663 -9.203 -8.267 1.00 0.00 WT1 H ATOM 14707 OH2 TIP3 4502 4.859 -2.690 1.101 1.00 0.00 WT1 O ATOM 14708 H1 TIP3 4502 14.181 2.711 2.752 1.00 0.00 WT1 H ATOM 14709 H2 TIP3 4502 3.979 -6.507 -7.784 1.00 0.00 WT1 H ATOM 14710 OH2 TIP3 4504 -1.380 -1.752 -1.238 1.00 0.00 WT1 O ATOM 14711 H1 TIP3 4504 -9.669 2.271 -3.358 1.00 0.00 WT1 H ATOM 14712 H2 TIP3 4504 5.557 1.535 -6.988 1.00 0.00 WT1 H ATOM 14713 OH2 TIP3 4505 1.848 3.036 -4.121 1.00 0.00 WT1 O ATOM 14714 H1 TIP3 4505 8.824 -17.719 4.712 1.00 0.00 WT1 H ATOM 14715 H2 TIP3 4505 11.563 -3.872 -7.370 1.00 0.00 WT1 H ATOM 14716 OH2 TIP3 4506 8.951 -5.208 0.898 1.00 0.00 WT1 O ATOM 14717 H1 TIP3 4506 -6.534 4.103 -18.018 1.00 0.00 WT1 H ATOM 14718 H2 TIP3 4506 -3.610 8.154 9.161 1.00 0.00 WT1 H ATOM 14719 OH2 TIP3 4507 0.751 -3.227 -0.898 1.00 0.00 WT1 O ATOM 14720 H1 TIP3 4507 -7.068 -12.519 -2.271 1.00 0.00 WT1 H ATOM 14721 H2 TIP3 4507 11.031 -9.223 -6.415 1.00 0.00 WT1 H ATOM 14722 OH2 TIP3 4508 -0.612 -6.218 4.195 1.00 0.00 WT1 O ATOM 14723 H1 TIP3 4508 -17.185 5.208 -11.610 1.00 0.00 WT1 H ATOM 14724 H2 TIP3 4508 12.344 -19.574 -13.991 1.00 0.00 WT1 H ATOM 14725 OH2 TIP3 4509 1.525 1.999 1.580 1.00 0.00 WT1 O ATOM 14726 H1 TIP3 4509 19.063 -2.022 -1.009 1.00 0.00 WT1 H ATOM 14727 H2 TIP3 4509 9.734 2.584 -3.130 1.00 0.00 WT1 H ATOM 14728 OH2 TIP3 4510 4.240 -3.463 2.317 1.00 0.00 WT1 O ATOM 14729 H1 TIP3 4510 -2.214 -6.901 0.571 1.00 0.00 WT1 H ATOM 14730 H2 TIP3 4510 -14.022 0.121 2.765 1.00 0.00 WT1 H ATOM 14731 OH2 TIP3 4511 10.551 -3.552 3.061 1.00 0.00 WT1 O ATOM 14732 H1 TIP3 4511 0.594 -18.358 -1.453 1.00 0.00 WT1 H ATOM 14733 H2 TIP3 4511 -3.231 -18.462 3.652 1.00 0.00 WT1 H ATOM 14734 OH2 TIP3 4513 -0.538 2.981 -2.769 1.00 0.00 WT1 O ATOM 14735 H1 TIP3 4513 -34.200 -17.449 -11.526 1.00 0.00 WT1 H ATOM 14736 H2 TIP3 4513 23.113 21.358 -3.330 1.00 0.00 WT1 H ATOM 14737 OH2 TIP3 4514 -1.283 -0.512 -2.250 1.00 0.00 WT1 O ATOM 14738 H1 TIP3 4514 -13.334 0.797 2.249 1.00 0.00 WT1 H ATOM 14739 H2 TIP3 4514 6.631 10.475 -3.581 1.00 0.00 WT1 H ATOM 14740 OH2 TIP3 4515 3.811 0.374 -4.552 1.00 0.00 WT1 O ATOM 14741 H1 TIP3 4515 22.029 -28.795 14.946 1.00 0.00 WT1 H ATOM 14742 H2 TIP3 4515 -12.101 3.375 3.318 1.00 0.00 WT1 H ATOM 14743 OH2 TIP3 4516 -0.148 1.291 2.968 1.00 0.00 WT1 O ATOM 14744 H1 TIP3 4516 5.373 18.715 -8.619 1.00 0.00 WT1 H ATOM 14745 H2 TIP3 4516 -13.706 3.860 5.004 1.00 0.00 WT1 H ATOM 14746 OH2 TIP3 4517 -8.699 1.425 -1.407 1.00 0.00 WT1 O ATOM 14747 H1 TIP3 4517 -8.267 -4.358 3.451 1.00 0.00 WT1 H ATOM 14748 H2 TIP3 4517 -6.543 5.055 -2.546 1.00 0.00 WT1 H ATOM 14749 OH2 TIP3 4518 0.760 0.739 -1.303 1.00 0.00 WT1 O ATOM 14750 H1 TIP3 4518 26.467 6.166 -15.555 1.00 0.00 WT1 H ATOM 14751 H2 TIP3 4518 21.372 -7.334 -15.408 1.00 0.00 WT1 H ATOM 14752 OH2 TIP3 4519 -6.360 2.041 4.959 1.00 0.00 WT1 O ATOM 14753 H1 TIP3 4519 -5.918 0.309 1.582 1.00 0.00 WT1 H ATOM 14754 H2 TIP3 4519 -0.081 11.681 3.401 1.00 0.00 WT1 H ATOM 14755 OH2 TIP3 4520 -3.008 -6.335 0.223 1.00 0.00 WT1 O ATOM 14756 H1 TIP3 4520 -3.862 -4.332 -1.019 1.00 0.00 WT1 H ATOM 14757 H2 TIP3 4520 -7.390 -23.438 18.710 1.00 0.00 WT1 H ATOM 14758 OH2 TIP3 4521 1.151 -4.274 -2.867 1.00 0.00 WT1 O ATOM 14759 H1 TIP3 4521 -1.052 -13.224 -15.341 1.00 0.00 WT1 H ATOM 14760 H2 TIP3 4521 1.372 0.020 -12.628 1.00 0.00 WT1 H ATOM 14761 OH2 TIP3 4522 0.419 8.152 -3.492 1.00 0.00 WT1 O ATOM 14762 H1 TIP3 4522 -12.660 3.616 -0.588 1.00 0.00 WT1 H ATOM 14763 H2 TIP3 4522 -12.910 -8.393 -8.756 1.00 0.00 WT1 H ATOM 14764 OH2 TIP3 4523 3.952 1.138 3.423 1.00 0.00 WT1 O ATOM 14765 H1 TIP3 4523 -2.337 17.246 1.260 1.00 0.00 WT1 H ATOM 14766 H2 TIP3 4523 2.973 -6.739 9.155 1.00 0.00 WT1 H ATOM 14767 OH2 TIP3 4524 3.541 0.893 1.852 1.00 0.00 WT1 O ATOM 14768 H1 TIP3 4524 -7.642 -1.930 -3.889 1.00 0.00 WT1 H ATOM 14769 H2 TIP3 4524 3.981 2.365 1.657 1.00 0.00 WT1 H ATOM 14770 OH2 TIP3 4525 4.383 -6.274 -6.939 1.00 0.00 WT1 O ATOM 14771 H1 TIP3 4525 5.232 -4.662 -7.883 1.00 0.00 WT1 H ATOM 14772 H2 TIP3 4525 3.675 -0.129 -5.144 1.00 0.00 WT1 H ATOM 14773 OH2 TIP3 4526 7.374 -1.596 0.083 1.00 0.00 WT1 O ATOM 14774 H1 TIP3 4526 17.324 7.007 8.259 1.00 0.00 WT1 H ATOM 14775 H2 TIP3 4526 9.635 -3.848 5.068 1.00 0.00 WT1 H ATOM 14776 OH2 TIP3 4527 5.855 -3.307 -1.370 1.00 0.00 WT1 O ATOM 14777 H1 TIP3 4527 16.844 -2.939 -7.454 1.00 0.00 WT1 H ATOM 14778 H2 TIP3 4527 -17.599 -19.638 5.833 1.00 0.00 WT1 H ATOM 14779 OH2 TIP3 4528 5.841 -1.316 2.496 1.00 0.00 WT1 O ATOM 14780 H1 TIP3 4528 -15.451 13.207 14.304 1.00 0.00 WT1 H ATOM 14781 H2 TIP3 4528 -3.087 9.298 -7.417 1.00 0.00 WT1 H ATOM 14782 OH2 TIP3 4529 3.260 1.652 4.951 1.00 0.00 WT1 O ATOM 14783 H1 TIP3 4529 17.760 1.527 5.180 1.00 0.00 WT1 H ATOM 14784 H2 TIP3 4529 0.655 14.802 14.010 1.00 0.00 WT1 H ATOM 14785 OH2 TIP3 4530 3.868 7.489 -1.989 1.00 0.00 WT1 O ATOM 14786 H1 TIP3 4530 23.906 -1.951 3.809 1.00 0.00 WT1 H ATOM 14787 H2 TIP3 4530 -17.063 17.849 -13.205 1.00 0.00 WT1 H ATOM 14788 OH2 TIP3 4531 -1.594 10.727 -0.482 1.00 0.00 WT1 O ATOM 14789 H1 TIP3 4531 6.597 12.847 0.901 1.00 0.00 WT1 H ATOM 14790 H2 TIP3 4531 -13.215 19.891 -2.866 1.00 0.00 WT1 H ATOM 14791 OH2 TIP3 4532 2.862 7.157 -1.251 1.00 0.00 WT1 O ATOM 14792 H1 TIP3 4532 -8.587 8.394 9.379 1.00 0.00 WT1 H ATOM 14793 H2 TIP3 4532 -5.183 9.068 6.770 1.00 0.00 WT1 H ATOM 14794 OH2 TIP3 4533 -6.301 2.013 10.081 1.00 0.00 WT1 O ATOM 14795 H1 TIP3 4533 -6.806 0.211 9.579 1.00 0.00 WT1 H ATOM 14796 H2 TIP3 4533 -3.272 2.745 12.766 1.00 0.00 WT1 H ATOM 14797 OH2 TIP3 4534 7.033 -1.467 -3.422 1.00 0.00 WT1 O ATOM 14798 H1 TIP3 4534 2.629 -0.441 -11.426 1.00 0.00 WT1 H ATOM 14799 H2 TIP3 4534 3.277 3.509 -16.060 1.00 0.00 WT1 H ATOM 14800 OH2 TIP3 4535 -0.227 -1.176 1.242 1.00 0.00 WT1 O ATOM 14801 H1 TIP3 4535 -0.028 -1.789 14.037 1.00 0.00 WT1 H ATOM 14802 H2 TIP3 4535 0.127 -1.521 8.156 1.00 0.00 WT1 H ATOM 14803 OH2 TIP3 4536 2.554 -1.064 -0.449 1.00 0.00 WT1 O ATOM 14804 H1 TIP3 4536 -1.323 -0.540 -1.698 1.00 0.00 WT1 H ATOM 14805 H2 TIP3 4536 9.618 3.318 -2.360 1.00 0.00 WT1 H ATOM 14806 OH2 TIP3 4537 4.698 -4.885 6.837 1.00 0.00 WT1 O ATOM 14807 H1 TIP3 4537 -6.604 13.226 6.603 1.00 0.00 WT1 H ATOM 14808 H2 TIP3 4537 8.188 -9.878 6.950 1.00 0.00 WT1 H ATOM 14809 OH2 TIP3 4538 0.041 0.450 2.523 1.00 0.00 WT1 O ATOM 14810 H1 TIP3 4538 -19.802 -0.401 3.483 1.00 0.00 WT1 H ATOM 14811 H2 TIP3 4538 20.440 -28.138 -9.059 1.00 0.00 WT1 H ATOM 14812 OH2 TIP3 4539 -4.547 -0.721 -6.214 1.00 0.00 WT1 O ATOM 14813 H1 TIP3 4539 17.470 18.022 -2.664 1.00 0.00 WT1 H ATOM 14814 H2 TIP3 4539 12.118 -12.206 -2.687 1.00 0.00 WT1 H ATOM 14815 OH2 TIP3 4540 -1.542 4.042 2.588 1.00 0.00 WT1 O ATOM 14816 H1 TIP3 4540 -17.216 -5.847 -9.296 1.00 0.00 WT1 H ATOM 14817 H2 TIP3 4540 6.579 -11.816 10.145 1.00 0.00 WT1 H ATOM 14818 OH2 TIP3 4541 6.120 0.525 -2.322 1.00 0.00 WT1 O ATOM 14819 H1 TIP3 4541 -2.234 7.808 13.512 1.00 0.00 WT1 H ATOM 14820 H2 TIP3 4541 34.261 10.086 14.569 1.00 0.00 WT1 H ATOM 14821 OH2 TIP3 4542 -5.631 -5.009 0.834 1.00 0.00 WT1 O ATOM 14822 H1 TIP3 4542 -0.365 -16.633 12.852 1.00 0.00 WT1 H ATOM 14823 H2 TIP3 4542 -17.708 -11.628 -9.358 1.00 0.00 WT1 H ATOM 14824 OH2 TIP3 4544 2.591 -1.091 -1.694 1.00 0.00 WT1 O ATOM 14825 H1 TIP3 4544 3.912 -0.376 -4.081 1.00 0.00 WT1 H ATOM 14826 H2 TIP3 4544 1.513 -6.735 -1.363 1.00 0.00 WT1 H ATOM 14827 OH2 TIP3 4545 -4.939 -1.661 -2.209 1.00 0.00 WT1 O ATOM 14828 H1 TIP3 4545 9.515 -0.996 -5.122 1.00 0.00 WT1 H ATOM 14829 H2 TIP3 4545 4.064 -10.645 -7.070 1.00 0.00 WT1 H ATOM 14830 OH2 TIP3 4546 2.158 -5.061 -6.373 1.00 0.00 WT1 O ATOM 14831 H1 TIP3 4546 -2.328 -3.175 3.001 1.00 0.00 WT1 H ATOM 14832 H2 TIP3 4546 12.420 -11.592 -10.002 1.00 0.00 WT1 H ATOM 14833 OH2 TIP3 4547 4.113 -4.545 1.727 1.00 0.00 WT1 O ATOM 14834 H1 TIP3 4547 14.880 -21.430 -11.707 1.00 0.00 WT1 H ATOM 14835 H2 TIP3 4547 -23.969 -0.259 -0.020 1.00 0.00 WT1 H ATOM 14836 OH2 TIP3 4548 3.974 2.838 -0.307 1.00 0.00 WT1 O ATOM 14837 H1 TIP3 4548 -20.213 -2.072 -3.079 1.00 0.00 WT1 H ATOM 14838 H2 TIP3 4548 5.604 29.117 0.538 1.00 0.00 WT1 H ATOM 14839 OH2 TIP3 4549 4.470 0.667 0.138 1.00 0.00 WT1 O ATOM 14840 H1 TIP3 4549 4.520 -0.548 -1.630 1.00 0.00 WT1 H ATOM 14841 H2 TIP3 4549 2.512 1.651 -0.737 1.00 0.00 WT1 H ATOM 14842 OH2 TIP3 4550 -1.132 6.803 4.079 1.00 0.00 WT1 O ATOM 14843 H1 TIP3 4550 -19.524 12.058 -1.608 1.00 0.00 WT1 H ATOM 14844 H2 TIP3 4550 4.011 -20.150 -21.972 1.00 0.00 WT1 H ATOM 14845 OH2 TIP3 4552 -0.366 0.925 -4.718 1.00 0.00 WT1 O ATOM 14846 H1 TIP3 4552 4.468 24.079 -0.774 1.00 0.00 WT1 H ATOM 14847 H2 TIP3 4552 -13.007 -7.399 12.629 1.00 0.00 WT1 H ATOM 14848 OH2 TIP3 4553 -2.069 0.576 -2.990 1.00 0.00 WT1 O ATOM 14849 H1 TIP3 4553 6.517 8.895 8.518 1.00 0.00 WT1 H ATOM 14850 H2 TIP3 4553 5.264 3.153 -17.482 1.00 0.00 WT1 H ATOM 14851 OH2 TIP3 4554 2.708 -2.621 -1.668 1.00 0.00 WT1 O ATOM 14852 H1 TIP3 4554 3.532 27.400 4.230 1.00 0.00 WT1 H ATOM 14853 H2 TIP3 4554 22.528 -6.089 20.972 1.00 0.00 WT1 H ATOM 14854 OH2 TIP3 4555 -0.331 -4.206 -2.555 1.00 0.00 WT1 O ATOM 14855 H1 TIP3 4555 -12.048 6.261 -10.522 1.00 0.00 WT1 H ATOM 14856 H2 TIP3 4555 18.009 12.556 -1.005 1.00 0.00 WT1 H ATOM 14857 OH2 TIP3 4556 1.250 -6.947 -1.905 1.00 0.00 WT1 O ATOM 14858 H1 TIP3 4556 -5.988 3.308 6.590 1.00 0.00 WT1 H ATOM 14859 H2 TIP3 4556 7.973 -8.480 -2.548 1.00 0.00 WT1 H ATOM 14860 OH2 TIP3 4557 3.227 -7.861 3.792 1.00 0.00 WT1 O ATOM 14861 H1 TIP3 4557 3.124 -6.559 5.504 1.00 0.00 WT1 H ATOM 14862 H2 TIP3 4557 -21.983 20.568 -31.244 1.00 0.00 WT1 H ATOM 14863 OH2 TIP3 4558 -2.858 -4.420 -4.115 1.00 0.00 WT1 O ATOM 14864 H1 TIP3 4558 -2.088 -8.508 -10.178 1.00 0.00 WT1 H ATOM 14865 H2 TIP3 4558 -2.537 -8.479 1.350 1.00 0.00 WT1 H ATOM 14866 OH2 TIP3 4559 -6.795 5.701 -6.965 1.00 0.00 WT1 O ATOM 14867 H1 TIP3 4559 -1.090 6.339 -2.283 1.00 0.00 WT1 H ATOM 14868 H2 TIP3 4559 -22.066 -14.184 -7.265 1.00 0.00 WT1 H ATOM 14869 OH2 TIP3 4560 -1.488 -1.299 -2.547 1.00 0.00 WT1 O ATOM 14870 H1 TIP3 4560 -4.398 9.266 9.848 1.00 0.00 WT1 H ATOM 14871 H2 TIP3 4560 -15.513 -1.995 -10.436 1.00 0.00 WT1 H ATOM 14872 OH2 TIP3 4561 7.791 5.468 0.662 1.00 0.00 WT1 O ATOM 14873 H1 TIP3 4561 6.336 8.702 2.908 1.00 0.00 WT1 H ATOM 14874 H2 TIP3 4561 -9.897 -16.979 -16.874 1.00 0.00 WT1 H ATOM 14875 OH2 TIP3 4562 0.951 4.553 3.563 1.00 0.00 WT1 O ATOM 14876 H1 TIP3 4562 -10.881 -10.392 13.758 1.00 0.00 WT1 H ATOM 14877 H2 TIP3 4562 2.397 0.453 3.825 1.00 0.00 WT1 H ATOM 14878 OH2 TIP3 4563 -1.863 -0.648 5.642 1.00 0.00 WT1 O ATOM 14879 H1 TIP3 4563 -8.012 -17.180 20.455 1.00 0.00 WT1 H ATOM 14880 H2 TIP3 4563 6.964 15.829 -5.135 1.00 0.00 WT1 H ATOM 14881 OH2 TIP3 4564 -2.440 9.077 7.639 1.00 0.00 WT1 O ATOM 14882 H1 TIP3 4564 -12.422 -2.577 11.436 1.00 0.00 WT1 H ATOM 14883 H2 TIP3 4564 -18.798 -6.035 13.410 1.00 0.00 WT1 H ATOM 14884 OH2 TIP3 4565 5.949 5.157 2.405 1.00 0.00 WT1 O ATOM 14885 H1 TIP3 4565 -3.928 -0.396 -3.241 1.00 0.00 WT1 H ATOM 14886 H2 TIP3 4565 19.823 -4.111 2.221 1.00 0.00 WT1 H ATOM 14887 OH2 TIP3 4569 -2.647 -1.733 4.211 1.00 0.00 WT1 O ATOM 14888 H1 TIP3 4569 -6.222 -11.718 6.499 1.00 0.00 WT1 H ATOM 14889 H2 TIP3 4569 -5.301 -2.131 4.335 1.00 0.00 WT1 H ATOM 14890 OH2 TIP3 4570 -0.441 4.450 0.848 1.00 0.00 WT1 O ATOM 14891 H1 TIP3 4570 -4.878 6.570 3.005 1.00 0.00 WT1 H ATOM 14892 H2 TIP3 4570 11.695 3.735 -0.215 1.00 0.00 WT1 H ATOM 14893 OH2 TIP3 4571 -4.138 -2.287 -2.600 1.00 0.00 WT1 O ATOM 14894 H1 TIP3 4571 2.174 -9.639 -8.511 1.00 0.00 WT1 H ATOM 14895 H2 TIP3 4571 2.572 16.231 15.968 1.00 0.00 WT1 H ATOM 14896 OH2 TIP3 4573 -1.343 1.562 1.274 1.00 0.00 WT1 O ATOM 14897 H1 TIP3 4573 17.819 -5.488 4.757 1.00 0.00 WT1 H ATOM 14898 H2 TIP3 4573 -6.363 -8.055 -2.673 1.00 0.00 WT1 H ATOM 14899 OH2 TIP3 4574 1.388 2.122 -2.338 1.00 0.00 WT1 O ATOM 14900 H1 TIP3 4574 -17.910 -16.297 16.307 1.00 0.00 WT1 H ATOM 14901 H2 TIP3 4574 -3.347 19.538 6.355 1.00 0.00 WT1 H ATOM 14902 OH2 TIP3 4575 0.310 -6.038 -3.720 1.00 0.00 WT1 O ATOM 14903 H1 TIP3 4575 -8.732 21.833 -3.826 1.00 0.00 WT1 H ATOM 14904 H2 TIP3 4575 26.340 0.605 -4.824 1.00 0.00 WT1 H ATOM 14905 OH2 TIP3 4576 -1.634 7.757 -6.461 1.00 0.00 WT1 O ATOM 14906 H1 TIP3 4576 3.642 21.211 4.798 1.00 0.00 WT1 H ATOM 14907 H2 TIP3 4576 12.046 22.671 -27.285 1.00 0.00 WT1 H ATOM 14908 OH2 TIP3 4577 -7.820 9.118 2.086 1.00 0.00 WT1 O ATOM 14909 H1 TIP3 4577 -7.736 7.226 -6.386 1.00 0.00 WT1 H ATOM 14910 H2 TIP3 4577 -13.794 14.039 4.724 1.00 0.00 WT1 H ATOM 14911 OH2 TIP3 4578 1.883 0.831 -6.345 1.00 0.00 WT1 O ATOM 14912 H1 TIP3 4578 0.333 -3.837 -6.819 1.00 0.00 WT1 H ATOM 14913 H2 TIP3 4578 15.059 -2.725 -1.679 1.00 0.00 WT1 H ATOM 14914 OH2 TIP3 4579 -4.009 -2.713 -1.141 1.00 0.00 WT1 O ATOM 14915 H1 TIP3 4579 -21.104 14.822 2.770 1.00 0.00 WT1 H ATOM 14916 H2 TIP3 4579 3.704 -27.525 -0.981 1.00 0.00 WT1 H ATOM 14917 OH2 TIP3 4580 -6.601 3.764 4.962 1.00 0.00 WT1 O ATOM 14918 H1 TIP3 4580 -16.090 17.099 -22.114 1.00 0.00 WT1 H ATOM 14919 H2 TIP3 4580 0.794 -14.552 38.271 1.00 0.00 WT1 H ATOM 14920 OH2 TIP3 4581 6.092 3.674 -8.944 1.00 0.00 WT1 O ATOM 14921 H1 TIP3 4581 14.357 -18.807 -10.741 1.00 0.00 WT1 H ATOM 14922 H2 TIP3 4581 8.703 10.109 11.182 1.00 0.00 WT1 H ATOM 14923 OH2 TIP3 4582 -0.974 -4.535 -8.599 1.00 0.00 WT1 O ATOM 14924 H1 TIP3 4582 -9.363 -4.988 11.095 1.00 0.00 WT1 H ATOM 14925 H2 TIP3 4582 17.654 0.107 0.851 1.00 0.00 WT1 H ATOM 14926 OH2 TIP3 4583 -1.483 2.566 0.083 1.00 0.00 WT1 O ATOM 14927 H1 TIP3 4583 -9.062 -6.582 -0.751 1.00 0.00 WT1 H ATOM 14928 H2 TIP3 4583 -18.842 -2.153 -12.688 1.00 0.00 WT1 H ATOM 14929 OH2 TIP3 4584 3.708 1.937 -0.998 1.00 0.00 WT1 O ATOM 14930 H1 TIP3 4584 18.802 -7.285 -4.644 1.00 0.00 WT1 H ATOM 14931 H2 TIP3 4584 8.277 16.596 5.669 1.00 0.00 WT1 H ATOM 14932 OH2 TIP3 4586 -0.466 0.729 1.174 1.00 0.00 WT1 O ATOM 14933 H1 TIP3 4586 23.037 10.120 4.164 1.00 0.00 WT1 H ATOM 14934 H2 TIP3 4586 -35.544 -16.455 -6.249 1.00 0.00 WT1 H ATOM 14935 OH2 TIP3 4588 -2.750 7.140 2.312 1.00 0.00 WT1 O ATOM 14936 H1 TIP3 4588 -1.629 2.132 -4.687 1.00 0.00 WT1 H ATOM 14937 H2 TIP3 4588 -2.036 6.699 2.087 1.00 0.00 WT1 H ATOM 14938 OH2 TIP3 4589 -1.960 -2.355 0.846 1.00 0.00 WT1 O ATOM 14939 H1 TIP3 4589 -15.852 2.477 17.582 1.00 0.00 WT1 H ATOM 14940 H2 TIP3 4589 -13.657 0.793 15.931 1.00 0.00 WT1 H ATOM 14941 OH2 TIP3 4591 -7.302 2.891 2.654 1.00 0.00 WT1 O ATOM 14942 H1 TIP3 4591 -11.053 10.514 -30.718 1.00 0.00 WT1 H ATOM 14943 H2 TIP3 4591 25.845 -10.436 10.145 1.00 0.00 WT1 H ATOM 14944 OH2 TIP3 4594 7.572 -1.926 1.718 1.00 0.00 WT1 O ATOM 14945 H1 TIP3 4594 15.735 27.922 -15.017 1.00 0.00 WT1 H ATOM 14946 H2 TIP3 4594 22.219 8.524 1.014 1.00 0.00 WT1 H ATOM 14947 OH2 TIP3 4596 -0.808 4.900 6.838 1.00 0.00 WT1 O ATOM 14948 H1 TIP3 4596 5.797 2.470 4.449 1.00 0.00 WT1 H ATOM 14949 H2 TIP3 4596 11.713 27.128 3.572 1.00 0.00 WT1 H ATOM 14950 OH2 TIP3 4597 -0.024 -0.178 2.422 1.00 0.00 WT1 O ATOM 14951 H1 TIP3 4597 -19.314 1.625 23.067 1.00 0.00 WT1 H ATOM 14952 H2 TIP3 4597 5.241 2.521 3.454 1.00 0.00 WT1 H ATOM 14953 OH2 TIP3 4598 -0.784 2.752 -0.105 1.00 0.00 WT1 O ATOM 14954 H1 TIP3 4598 6.223 18.207 -7.645 1.00 0.00 WT1 H ATOM 14955 H2 TIP3 4598 25.000 26.751 -9.166 1.00 0.00 WT1 H ATOM 14956 OH2 TIP3 4599 -1.571 -3.223 -4.147 1.00 0.00 WT1 O ATOM 14957 H1 TIP3 4599 7.801 -5.267 5.763 1.00 0.00 WT1 H ATOM 14958 H2 TIP3 4599 7.272 -7.814 7.424 1.00 0.00 WT1 H ATOM 14959 OH2 TIP3 4600 1.384 -3.576 3.809 1.00 0.00 WT1 O ATOM 14960 H1 TIP3 4600 3.367 1.314 -13.532 1.00 0.00 WT1 H ATOM 14961 H2 TIP3 4600 2.186 -5.108 6.372 1.00 0.00 WT1 H ATOM 14962 OH2 TIP3 4601 -0.488 1.993 0.167 1.00 0.00 WT1 O ATOM 14963 H1 TIP3 4601 -0.274 1.200 4.994 1.00 0.00 WT1 H ATOM 14964 H2 TIP3 4601 3.750 -14.862 0.664 1.00 0.00 WT1 H ATOM 14965 OH2 TIP3 4602 2.318 0.110 7.664 1.00 0.00 WT1 O ATOM 14966 H1 TIP3 4602 -4.253 11.076 10.374 1.00 0.00 WT1 H ATOM 14967 H2 TIP3 4602 3.928 -2.683 7.024 1.00 0.00 WT1 H ATOM 14968 OH2 TIP3 4603 -5.423 1.483 -3.295 1.00 0.00 WT1 O ATOM 14969 H1 TIP3 4603 4.486 5.333 -5.108 1.00 0.00 WT1 H ATOM 14970 H2 TIP3 4603 -0.296 3.550 -2.543 1.00 0.00 WT1 H ATOM 14971 OH2 TIP3 4605 -6.374 -8.469 -1.138 1.00 0.00 WT1 O ATOM 14972 H1 TIP3 4605 2.063 -9.842 -9.399 1.00 0.00 WT1 H ATOM 14973 H2 TIP3 4605 -2.283 -5.589 -7.375 1.00 0.00 WT1 H ATOM 14974 OH2 TIP3 4606 10.562 0.367 7.388 1.00 0.00 WT1 O ATOM 14975 H1 TIP3 4606 6.459 -0.453 4.842 1.00 0.00 WT1 H ATOM 14976 H2 TIP3 4606 -7.550 1.524 -11.336 1.00 0.00 WT1 H ATOM 14977 OH2 TIP3 4607 -1.502 5.197 -0.859 1.00 0.00 WT1 O ATOM 14978 H1 TIP3 4607 18.226 3.196 15.370 1.00 0.00 WT1 H ATOM 14979 H2 TIP3 4607 -9.081 9.685 -1.328 1.00 0.00 WT1 H ATOM 14980 OH2 TIP3 4609 -1.871 -3.880 -7.524 1.00 0.00 WT1 O ATOM 14981 H1 TIP3 4609 9.272 12.953 -10.678 1.00 0.00 WT1 H ATOM 14982 H2 TIP3 4609 -13.231 -4.149 -16.064 1.00 0.00 WT1 H ATOM 14983 OH2 TIP3 4610 4.844 -3.090 -5.234 1.00 0.00 WT1 O ATOM 14984 H1 TIP3 4610 -8.519 10.308 -12.134 1.00 0.00 WT1 H ATOM 14985 H2 TIP3 4610 7.172 -5.704 -4.247 1.00 0.00 WT1 H ATOM 14986 OH2 TIP3 4612 -4.651 -2.362 5.326 1.00 0.00 WT1 O ATOM 14987 H1 TIP3 4612 -5.649 -4.095 7.982 1.00 0.00 WT1 H ATOM 14988 H2 TIP3 4612 -2.879 10.162 1.877 1.00 0.00 WT1 H ATOM 14989 OH2 TIP3 4616 2.753 0.738 -1.571 1.00 0.00 WT1 O ATOM 14990 H1 TIP3 4616 -22.387 -26.935 11.532 1.00 0.00 WT1 H ATOM 14991 H2 TIP3 4616 -0.043 0.945 5.647 1.00 0.00 WT1 H ATOM 14992 OH2 TIP3 4619 2.419 4.593 6.818 1.00 0.00 WT1 O ATOM 14993 H1 TIP3 4619 -4.834 -2.529 4.805 1.00 0.00 WT1 H ATOM 14994 H2 TIP3 4619 11.502 0.580 5.310 1.00 0.00 WT1 H ATOM 14995 OH2 TIP3 4620 3.718 2.793 -1.392 1.00 0.00 WT1 O ATOM 14996 H1 TIP3 4620 -1.639 -8.981 -3.064 1.00 0.00 WT1 H ATOM 14997 H2 TIP3 4620 8.448 6.916 -17.324 1.00 0.00 WT1 H ATOM 14998 OH2 TIP3 4621 2.038 -3.179 -4.096 1.00 0.00 WT1 O ATOM 14999 H1 TIP3 4621 -0.651 1.644 -0.460 1.00 0.00 WT1 H ATOM 15000 H2 TIP3 4621 -7.340 37.482 -3.514 1.00 0.00 WT1 H ATOM 15001 OH2 TIP3 4622 -1.784 -2.398 3.231 1.00 0.00 WT1 O ATOM 15002 H1 TIP3 4622 -0.763 0.655 0.597 1.00 0.00 WT1 H ATOM 15003 H2 TIP3 4622 -1.620 1.497 0.197 1.00 0.00 WT1 H ATOM 15004 OH2 TIP3 4623 6.537 1.197 -3.521 1.00 0.00 WT1 O ATOM 15005 H1 TIP3 4623 11.518 -4.689 30.900 1.00 0.00 WT1 H ATOM 15006 H2 TIP3 4623 -4.570 -0.865 -20.233 1.00 0.00 WT1 H ATOM 15007 OH2 TIP3 4624 -2.249 -6.640 6.883 1.00 0.00 WT1 O ATOM 15008 H1 TIP3 4624 -24.529 -16.076 2.208 1.00 0.00 WT1 H ATOM 15009 H2 TIP3 4624 0.186 -2.726 16.099 1.00 0.00 WT1 H ATOM 15010 OH2 TIP3 4625 4.850 -4.305 -1.519 1.00 0.00 WT1 O ATOM 15011 H1 TIP3 4625 14.750 0.801 -0.591 1.00 0.00 WT1 H ATOM 15012 H2 TIP3 4625 17.532 21.699 5.628 1.00 0.00 WT1 H ATOM 15013 OH2 TIP3 4626 0.201 0.143 -2.346 1.00 0.00 WT1 O ATOM 15014 H1 TIP3 4626 -12.368 -5.913 -13.219 1.00 0.00 WT1 H ATOM 15015 H2 TIP3 4626 -11.595 -18.082 -4.383 1.00 0.00 WT1 H ATOM 15016 OH2 TIP3 4627 0.904 -6.963 0.270 1.00 0.00 WT1 O ATOM 15017 H1 TIP3 4627 1.712 -2.066 7.135 1.00 0.00 WT1 H ATOM 15018 H2 TIP3 4627 -7.479 -6.928 -5.916 1.00 0.00 WT1 H ATOM 15019 OH2 TIP3 4628 1.744 4.016 0.515 1.00 0.00 WT1 O ATOM 15020 H1 TIP3 4628 -13.353 -2.578 -14.081 1.00 0.00 WT1 H ATOM 15021 H2 TIP3 4628 9.282 -1.552 -7.685 1.00 0.00 WT1 H ATOM 15022 OH2 TIP3 4629 2.796 -2.672 -3.332 1.00 0.00 WT1 O ATOM 15023 H1 TIP3 4629 3.496 -0.963 -2.726 1.00 0.00 WT1 H ATOM 15024 H2 TIP3 4629 -11.878 -27.898 -12.698 1.00 0.00 WT1 H ATOM 15025 OH2 TIP3 4631 10.829 1.690 0.409 1.00 0.00 WT1 O ATOM 15026 H1 TIP3 4631 5.600 5.020 -11.782 1.00 0.00 WT1 H ATOM 15027 H2 TIP3 4631 16.946 18.577 11.904 1.00 0.00 WT1 H ATOM 15028 OH2 TIP3 4632 1.989 -3.380 -4.370 1.00 0.00 WT1 O ATOM 15029 H1 TIP3 4632 0.505 -10.359 18.308 1.00 0.00 WT1 H ATOM 15030 H2 TIP3 4632 4.980 17.637 -17.839 1.00 0.00 WT1 H ATOM 15031 OH2 TIP3 4633 -3.458 -2.769 -1.848 1.00 0.00 WT1 O ATOM 15032 H1 TIP3 4633 -5.116 -5.626 -2.933 1.00 0.00 WT1 H ATOM 15033 H2 TIP3 4633 -6.177 11.447 8.734 1.00 0.00 WT1 H ATOM 15034 OH2 TIP3 4637 3.619 1.878 -2.052 1.00 0.00 WT1 O ATOM 15035 H1 TIP3 4637 4.002 -3.239 -1.288 1.00 0.00 WT1 H ATOM 15036 H2 TIP3 4637 5.593 4.724 -0.422 1.00 0.00 WT1 H ATOM 15037 OH2 TIP3 4638 5.792 -0.739 -0.485 1.00 0.00 WT1 O ATOM 15038 H1 TIP3 4638 17.846 -1.540 -12.503 1.00 0.00 WT1 H ATOM 15039 H2 TIP3 4638 -6.167 3.322 2.419 1.00 0.00 WT1 H ATOM 15040 OH2 TIP3 4639 0.129 -9.358 6.149 1.00 0.00 WT1 O ATOM 15041 H1 TIP3 4639 -1.228 6.745 -1.894 1.00 0.00 WT1 H ATOM 15042 H2 TIP3 4639 22.350 -22.671 -5.211 1.00 0.00 WT1 H ATOM 15043 OH2 TIP3 4640 -0.956 -1.349 -5.036 1.00 0.00 WT1 O ATOM 15044 H1 TIP3 4640 -2.095 19.104 -23.646 1.00 0.00 WT1 H ATOM 15045 H2 TIP3 4640 18.482 6.635 12.515 1.00 0.00 WT1 H ATOM 15046 OH2 TIP3 4641 -4.434 1.625 -3.558 1.00 0.00 WT1 O ATOM 15047 H1 TIP3 4641 4.027 7.069 -4.408 1.00 0.00 WT1 H ATOM 15048 H2 TIP3 4641 -2.450 -6.665 -13.040 1.00 0.00 WT1 H ATOM 15049 OH2 TIP3 4643 1.892 1.429 -4.120 1.00 0.00 WT1 O ATOM 15050 H1 TIP3 4643 -29.360 5.124 -9.024 1.00 0.00 WT1 H ATOM 15051 H2 TIP3 4643 19.386 8.842 -7.748 1.00 0.00 WT1 H ATOM 15052 OH2 TIP3 4645 0.621 -2.385 5.941 1.00 0.00 WT1 O ATOM 15053 H1 TIP3 4645 -4.633 18.109 -5.009 1.00 0.00 WT1 H ATOM 15054 H2 TIP3 4645 10.918 -14.105 -9.438 1.00 0.00 WT1 H ATOM 15055 OH2 TIP3 4647 -3.749 -0.190 2.062 1.00 0.00 WT1 O ATOM 15056 H1 TIP3 4647 41.919 2.004 -30.183 1.00 0.00 WT1 H ATOM 15057 H2 TIP3 4647 -4.373 15.635 -8.649 1.00 0.00 WT1 H ATOM 15058 OH2 TIP3 4648 -3.698 -0.311 -0.322 1.00 0.00 WT1 O ATOM 15059 H1 TIP3 4648 -2.384 26.891 8.414 1.00 0.00 WT1 H ATOM 15060 H2 TIP3 4648 -0.721 -9.035 13.439 1.00 0.00 WT1 H ATOM 15061 OH2 TIP3 4649 4.533 3.800 -3.687 1.00 0.00 WT1 O ATOM 15062 H1 TIP3 4649 -11.956 3.790 -7.422 1.00 0.00 WT1 H ATOM 15063 H2 TIP3 4649 -5.075 1.858 -14.307 1.00 0.00 WT1 H ATOM 15064 OH2 TIP3 4650 1.604 -1.497 -0.535 1.00 0.00 WT1 O ATOM 15065 H1 TIP3 4650 -5.796 -8.102 6.074 1.00 0.00 WT1 H ATOM 15066 H2 TIP3 4650 -2.957 8.648 7.059 1.00 0.00 WT1 H ATOM 15067 OH2 TIP3 4653 -0.459 -2.043 0.778 1.00 0.00 WT1 O ATOM 15068 H1 TIP3 4653 5.242 -1.538 15.172 1.00 0.00 WT1 H ATOM 15069 H2 TIP3 4653 8.897 -7.159 -6.977 1.00 0.00 WT1 H ATOM 15070 OH2 TIP3 4654 -5.221 -2.346 3.221 1.00 0.00 WT1 O ATOM 15071 H1 TIP3 4654 -11.215 12.334 4.117 1.00 0.00 WT1 H ATOM 15072 H2 TIP3 4654 -9.425 16.827 -0.718 1.00 0.00 WT1 H ATOM 15073 OH2 TIP3 4656 1.528 -4.214 -5.772 1.00 0.00 WT1 O ATOM 15074 H1 TIP3 4656 7.323 -9.341 -1.110 1.00 0.00 WT1 H ATOM 15075 H2 TIP3 4656 -25.657 10.761 -13.878 1.00 0.00 WT1 H ATOM 15076 OH2 TIP3 4657 3.284 3.714 2.836 1.00 0.00 WT1 O ATOM 15077 H1 TIP3 4657 -2.312 23.045 -1.340 1.00 0.00 WT1 H ATOM 15078 H2 TIP3 4657 14.241 -0.088 8.675 1.00 0.00 WT1 H ATOM 15079 OH2 TIP3 4658 -0.331 -4.339 -4.330 1.00 0.00 WT1 O ATOM 15080 H1 TIP3 4658 4.498 -4.799 -3.675 1.00 0.00 WT1 H ATOM 15081 H2 TIP3 4658 -11.453 -4.261 -2.373 1.00 0.00 WT1 H ATOM 15082 OH2 TIP3 4660 -0.527 -2.971 -3.222 1.00 0.00 WT1 O ATOM 15083 H1 TIP3 4660 9.230 -3.056 6.570 1.00 0.00 WT1 H ATOM 15084 H2 TIP3 4660 -1.952 -10.683 0.645 1.00 0.00 WT1 H ATOM 15085 OH2 TIP3 4661 1.995 -0.994 5.180 1.00 0.00 WT1 O ATOM 15086 H1 TIP3 4661 -8.136 -6.427 12.834 1.00 0.00 WT1 H ATOM 15087 H2 TIP3 4661 40.640 1.728 -6.011 1.00 0.00 WT1 H ATOM 15088 OH2 TIP3 4662 0.790 0.307 -3.337 1.00 0.00 WT1 O ATOM 15089 H1 TIP3 4662 -0.304 -0.195 15.235 1.00 0.00 WT1 H ATOM 15090 H2 TIP3 4662 9.224 13.108 7.288 1.00 0.00 WT1 H ATOM 15091 OH2 TIP3 4663 3.381 -3.562 0.422 1.00 0.00 WT1 O ATOM 15092 H1 TIP3 4663 3.843 -19.568 7.012 1.00 0.00 WT1 H ATOM 15093 H2 TIP3 4663 -8.791 -20.177 29.659 1.00 0.00 WT1 H ATOM 15094 OH2 TIP3 4664 -5.617 -6.610 4.788 1.00 0.00 WT1 O ATOM 15095 H1 TIP3 4664 1.013 -7.185 -6.811 1.00 0.00 WT1 H ATOM 15096 H2 TIP3 4664 11.536 -14.067 3.942 1.00 0.00 WT1 H ATOM 15097 OH2 TIP3 4665 1.120 -7.277 1.735 1.00 0.00 WT1 O ATOM 15098 H1 TIP3 4665 3.295 -18.513 2.485 1.00 0.00 WT1 H ATOM 15099 H2 TIP3 4665 -0.255 5.514 -7.770 1.00 0.00 WT1 H ATOM 15100 OH2 TIP3 4666 -0.264 2.863 -3.331 1.00 0.00 WT1 O ATOM 15101 H1 TIP3 4666 11.631 1.521 -12.837 1.00 0.00 WT1 H ATOM 15102 H2 TIP3 4666 -15.262 -10.641 13.433 1.00 0.00 WT1 H ATOM 15103 OH2 TIP3 4667 -3.350 2.365 8.459 1.00 0.00 WT1 O ATOM 15104 H1 TIP3 4667 -11.869 -19.285 13.915 1.00 0.00 WT1 H ATOM 15105 H2 TIP3 4667 -3.355 6.201 10.653 1.00 0.00 WT1 H ATOM 15106 OH2 TIP3 4668 -3.437 -4.042 -0.154 1.00 0.00 WT1 O ATOM 15107 H1 TIP3 4668 -0.753 1.546 -13.939 1.00 0.00 WT1 H ATOM 15108 H2 TIP3 4668 -1.017 10.347 11.334 1.00 0.00 WT1 H ATOM 15109 OH2 TIP3 4669 -2.086 0.892 5.989 1.00 0.00 WT1 O ATOM 15110 H1 TIP3 4669 -11.397 1.253 2.938 1.00 0.00 WT1 H ATOM 15111 H2 TIP3 4669 -6.513 0.263 9.080 1.00 0.00 WT1 H ATOM 15112 OH2 TIP3 4670 9.860 1.837 -3.583 1.00 0.00 WT1 O ATOM 15113 H1 TIP3 4670 40.604 -10.207 1.821 1.00 0.00 WT1 H ATOM 15114 H2 TIP3 4670 4.943 18.564 7.055 1.00 0.00 WT1 H ATOM 15115 OH2 TIP3 4672 6.335 -2.376 -0.927 1.00 0.00 WT1 O ATOM 15116 H1 TIP3 4672 28.086 -1.386 5.293 1.00 0.00 WT1 H ATOM 15117 H2 TIP3 4672 6.287 7.048 -0.493 1.00 0.00 WT1 H ATOM 15118 OH2 TIP3 4673 -4.509 6.863 -4.686 1.00 0.00 WT1 O ATOM 15119 H1 TIP3 4673 12.100 16.627 12.652 1.00 0.00 WT1 H ATOM 15120 H2 TIP3 4673 9.484 12.456 35.532 1.00 0.00 WT1 H ATOM 15121 OH2 TIP3 4679 -0.852 0.925 0.407 1.00 0.00 WT1 O ATOM 15122 H1 TIP3 4679 -4.434 0.273 4.215 1.00 0.00 WT1 H ATOM 15123 H2 TIP3 4679 -2.756 3.916 -9.006 1.00 0.00 WT1 H ATOM 15124 OH2 TIP3 4680 2.810 -3.020 -2.281 1.00 0.00 WT1 O ATOM 15125 H1 TIP3 4680 2.740 9.095 14.964 1.00 0.00 WT1 H ATOM 15126 H2 TIP3 4680 -11.542 4.490 -16.082 1.00 0.00 WT1 H ATOM 15127 OH2 TIP3 4681 -0.251 2.573 3.385 1.00 0.00 WT1 O ATOM 15128 H1 TIP3 4681 0.861 -0.843 6.731 1.00 0.00 WT1 H ATOM 15129 H2 TIP3 4681 5.377 -6.383 15.659 1.00 0.00 WT1 H ATOM 15130 OH2 TIP3 4682 5.908 -1.897 6.283 1.00 0.00 WT1 O ATOM 15131 H1 TIP3 4682 5.831 2.761 21.527 1.00 0.00 WT1 H ATOM 15132 H2 TIP3 4682 -1.342 -5.999 -1.604 1.00 0.00 WT1 H ATOM 15133 OH2 TIP3 4683 7.834 1.915 -2.255 1.00 0.00 WT1 O ATOM 15134 H1 TIP3 4683 4.044 13.197 -1.845 1.00 0.00 WT1 H ATOM 15135 H2 TIP3 4683 7.678 18.667 -3.684 1.00 0.00 WT1 H ATOM 15136 OH2 TIP3 4684 -0.192 2.880 11.407 1.00 0.00 WT1 O ATOM 15137 H1 TIP3 4684 -4.753 12.791 8.584 1.00 0.00 WT1 H ATOM 15138 H2 TIP3 4684 9.322 -2.640 9.320 1.00 0.00 WT1 H ATOM 15139 OH2 TIP3 4685 -2.076 3.690 -3.166 1.00 0.00 WT1 O ATOM 15140 H1 TIP3 4685 -16.403 -3.514 0.458 1.00 0.00 WT1 H ATOM 15141 H2 TIP3 4685 3.918 -9.421 -16.899 1.00 0.00 WT1 H ATOM 15142 OH2 TIP3 4686 8.724 -3.557 3.451 1.00 0.00 WT1 O ATOM 15143 H1 TIP3 4686 5.988 9.401 21.180 1.00 0.00 WT1 H ATOM 15144 H2 TIP3 4686 1.868 6.800 -3.004 1.00 0.00 WT1 H ATOM 15145 OH2 TIP3 4687 -3.564 0.224 1.493 1.00 0.00 WT1 O ATOM 15146 H1 TIP3 4687 7.138 -0.472 -3.386 1.00 0.00 WT1 H ATOM 15147 H2 TIP3 4687 -11.538 5.861 13.217 1.00 0.00 WT1 H ATOM 15148 OH2 TIP3 4690 0.002 -3.647 2.962 1.00 0.00 WT1 O ATOM 15149 H1 TIP3 4690 -16.969 -1.347 8.305 1.00 0.00 WT1 H ATOM 15150 H2 TIP3 4690 15.944 2.606 4.398 1.00 0.00 WT1 H ATOM 15151 OH2 TIP3 4691 -0.974 -1.001 -3.199 1.00 0.00 WT1 O ATOM 15152 H1 TIP3 4691 16.596 13.818 12.149 1.00 0.00 WT1 H ATOM 15153 H2 TIP3 4691 -20.473 9.218 5.307 1.00 0.00 WT1 H ATOM 15154 OH2 TIP3 4694 2.295 -2.362 -0.146 1.00 0.00 WT1 O ATOM 15155 H1 TIP3 4694 2.606 2.802 -28.800 1.00 0.00 WT1 H ATOM 15156 H2 TIP3 4694 -12.002 4.517 -6.094 1.00 0.00 WT1 H ATOM 15157 OH2 TIP3 4701 -0.007 -3.998 -2.614 1.00 0.00 WT1 O ATOM 15158 H1 TIP3 4701 2.096 -11.028 6.257 1.00 0.00 WT1 H ATOM 15159 H2 TIP3 4701 10.458 5.330 -10.126 1.00 0.00 WT1 H ATOM 15160 OH2 TIP3 4702 0.472 3.570 5.447 1.00 0.00 WT1 O ATOM 15161 H1 TIP3 4702 4.957 1.853 27.307 1.00 0.00 WT1 H ATOM 15162 H2 TIP3 4702 15.485 10.425 -13.142 1.00 0.00 WT1 H ATOM 15163 OH2 TIP3 4703 -5.214 0.809 -6.873 1.00 0.00 WT1 O ATOM 15164 H1 TIP3 4703 -8.206 4.270 0.652 1.00 0.00 WT1 H ATOM 15165 H2 TIP3 4703 -2.206 -4.973 -16.848 1.00 0.00 WT1 H ATOM 15166 OH2 TIP3 4704 -2.965 -1.684 2.421 1.00 0.00 WT1 O ATOM 15167 H1 TIP3 4704 -3.235 -0.881 2.289 1.00 0.00 WT1 H ATOM 15168 H2 TIP3 4704 0.701 -18.453 6.148 1.00 0.00 WT1 H ATOM 15169 OH2 TIP3 4705 2.061 3.135 1.369 1.00 0.00 WT1 O ATOM 15170 H1 TIP3 4705 -13.640 -9.091 -10.452 1.00 0.00 WT1 H ATOM 15171 H2 TIP3 4705 19.583 26.525 9.663 1.00 0.00 WT1 H ATOM 15172 OH2 TIP3 4706 0.375 -3.666 -2.579 1.00 0.00 WT1 O ATOM 15173 H1 TIP3 4706 -4.168 -6.854 -7.439 1.00 0.00 WT1 H ATOM 15174 H2 TIP3 4706 -10.257 9.183 -7.857 1.00 0.00 WT1 H ATOM 15175 OH2 TIP3 4707 4.917 1.521 -1.362 1.00 0.00 WT1 O ATOM 15176 H1 TIP3 4707 -0.082 28.301 3.356 1.00 0.00 WT1 H ATOM 15177 H2 TIP3 4707 -0.505 14.568 -3.004 1.00 0.00 WT1 H ATOM 15178 OH2 TIP3 4708 2.177 3.143 -1.507 1.00 0.00 WT1 O ATOM 15179 H1 TIP3 4708 -5.422 19.966 0.363 1.00 0.00 WT1 H ATOM 15180 H2 TIP3 4708 4.866 -1.914 -7.738 1.00 0.00 WT1 H ATOM 15181 OH2 TIP3 4709 1.686 3.401 -3.044 1.00 0.00 WT1 O ATOM 15182 H1 TIP3 4709 8.403 3.244 -11.520 1.00 0.00 WT1 H ATOM 15183 H2 TIP3 4709 9.096 2.375 -15.350 1.00 0.00 WT1 H ATOM 15184 OH2 TIP3 4710 9.933 -3.017 1.158 1.00 0.00 WT1 O ATOM 15185 H1 TIP3 4710 6.915 3.591 -15.984 1.00 0.00 WT1 H ATOM 15186 H2 TIP3 4710 13.062 -18.963 -3.953 1.00 0.00 WT1 H ATOM 15187 OH2 TIP3 4712 3.370 4.520 -1.723 1.00 0.00 WT1 O ATOM 15188 H1 TIP3 4712 -1.900 7.166 -2.843 1.00 0.00 WT1 H ATOM 15189 H2 TIP3 4712 -23.906 -19.090 -0.959 1.00 0.00 WT1 H ATOM 15190 OH2 TIP3 4713 5.882 4.602 -12.479 1.00 0.00 WT1 O ATOM 15191 H1 TIP3 4713 15.177 -4.891 4.399 1.00 0.00 WT1 H ATOM 15192 H2 TIP3 4713 0.864 0.228 -33.269 1.00 0.00 WT1 H ATOM 15193 OH2 TIP3 4717 -1.099 8.366 -1.922 1.00 0.00 WT1 O ATOM 15194 H1 TIP3 4717 16.649 -8.599 -20.144 1.00 0.00 WT1 H ATOM 15195 H2 TIP3 4717 12.490 0.406 -20.239 1.00 0.00 WT1 H ATOM 15196 OH2 TIP3 4719 3.671 -3.028 -1.635 1.00 0.00 WT1 O ATOM 15197 H1 TIP3 4719 7.447 -1.955 -5.927 1.00 0.00 WT1 H ATOM 15198 H2 TIP3 4719 -5.962 5.362 16.981 1.00 0.00 WT1 H ATOM 15199 OH2 TIP3 4721 -0.832 2.524 -3.629 1.00 0.00 WT1 O ATOM 15200 H1 TIP3 4721 -2.470 10.171 4.433 1.00 0.00 WT1 H ATOM 15201 H2 TIP3 4721 -7.029 6.156 -17.682 1.00 0.00 WT1 H ATOM 15202 OH2 TIP3 4722 -3.458 2.017 -13.619 1.00 0.00 WT1 O ATOM 15203 H1 TIP3 4722 12.668 -9.493 -23.375 1.00 0.00 WT1 H ATOM 15204 H2 TIP3 4722 -8.613 -3.581 -21.976 1.00 0.00 WT1 H ATOM 15205 OH2 TIP3 4723 -2.146 0.689 -1.325 1.00 0.00 WT1 O ATOM 15206 H1 TIP3 4723 -14.664 3.121 -0.838 1.00 0.00 WT1 H ATOM 15207 H2 TIP3 4723 -0.503 18.446 0.974 1.00 0.00 WT1 H ATOM 15208 OH2 TIP3 4724 -3.145 2.530 2.204 1.00 0.00 WT1 O ATOM 15209 H1 TIP3 4724 1.946 -2.899 11.410 1.00 0.00 WT1 H ATOM 15210 H2 TIP3 4724 -14.311 6.244 5.235 1.00 0.00 WT1 H ATOM 15211 OH2 TIP3 4725 4.516 -10.329 3.143 1.00 0.00 WT1 O ATOM 15212 H1 TIP3 4725 -9.863 8.086 -3.677 1.00 0.00 WT1 H ATOM 15213 H2 TIP3 4725 15.661 -28.258 -10.727 1.00 0.00 WT1 H ATOM 15214 OH2 TIP3 4726 -1.123 8.840 1.907 1.00 0.00 WT1 O ATOM 15215 H1 TIP3 4726 7.976 0.058 -2.688 1.00 0.00 WT1 H ATOM 15216 H2 TIP3 4726 -3.922 8.641 1.177 1.00 0.00 WT1 H ATOM 15217 OH2 TIP3 4727 1.303 -5.642 -5.371 1.00 0.00 WT1 O ATOM 15218 H1 TIP3 4727 -4.633 -0.619 -8.525 1.00 0.00 WT1 H ATOM 15219 H2 TIP3 4727 -7.487 0.153 -9.865 1.00 0.00 WT1 H ATOM 15220 OH2 TIP3 4729 2.484 7.459 -3.492 1.00 0.00 WT1 O ATOM 15221 H1 TIP3 4729 3.454 9.584 11.031 1.00 0.00 WT1 H ATOM 15222 H2 TIP3 4729 14.894 27.944 -15.094 1.00 0.00 WT1 H ATOM 15223 OH2 TIP3 4732 3.024 2.224 0.078 1.00 0.00 WT1 O ATOM 15224 H1 TIP3 4732 1.780 2.223 12.830 1.00 0.00 WT1 H ATOM 15225 H2 TIP3 4732 10.960 -9.743 -1.985 1.00 0.00 WT1 H ATOM 15226 OH2 TIP3 4733 -5.432 -0.807 -0.563 1.00 0.00 WT1 O ATOM 15227 H1 TIP3 4733 7.100 -1.716 1.699 1.00 0.00 WT1 H ATOM 15228 H2 TIP3 4733 -6.367 5.053 -15.578 1.00 0.00 WT1 H ATOM 15229 OH2 TIP3 4736 0.300 -0.233 -0.618 1.00 0.00 WT1 O ATOM 15230 H1 TIP3 4736 0.622 -2.987 -8.527 1.00 0.00 WT1 H ATOM 15231 H2 TIP3 4736 5.343 -23.768 -25.002 1.00 0.00 WT1 H ATOM 15232 OH2 TIP3 4737 8.733 1.799 -3.969 1.00 0.00 WT1 O ATOM 15233 H1 TIP3 4737 4.383 1.420 13.259 1.00 0.00 WT1 H ATOM 15234 H2 TIP3 4737 -6.908 1.901 -0.868 1.00 0.00 WT1 H ATOM 15235 OH2 TIP3 4739 -3.271 -2.076 4.310 1.00 0.00 WT1 O ATOM 15236 H1 TIP3 4739 -14.638 -2.722 4.715 1.00 0.00 WT1 H ATOM 15237 H2 TIP3 4739 -3.900 2.310 4.962 1.00 0.00 WT1 H ATOM 15238 OH2 TIP3 4743 1.113 -3.685 -0.073 1.00 0.00 WT1 O ATOM 15239 H1 TIP3 4743 -10.386 10.261 3.096 1.00 0.00 WT1 H ATOM 15240 H2 TIP3 4743 8.028 -8.823 -4.199 1.00 0.00 WT1 H ATOM 15241 OH2 TIP3 4746 -2.472 -1.610 -2.884 1.00 0.00 WT1 O ATOM 15242 H1 TIP3 4746 6.113 -7.396 18.251 1.00 0.00 WT1 H ATOM 15243 H2 TIP3 4746 0.093 -9.984 -22.687 1.00 0.00 WT1 H ATOM 15244 OH2 TIP3 4747 -1.514 -2.127 7.261 1.00 0.00 WT1 O ATOM 15245 H1 TIP3 4747 22.560 -12.417 5.662 1.00 0.00 WT1 H ATOM 15246 H2 TIP3 4747 12.937 -3.193 13.289 1.00 0.00 WT1 H ATOM 15247 OH2 TIP3 4748 -1.176 5.934 -1.899 1.00 0.00 WT1 O ATOM 15248 H1 TIP3 4748 -11.187 14.322 3.133 1.00 0.00 WT1 H ATOM 15249 H2 TIP3 4748 14.597 -6.642 -9.944 1.00 0.00 WT1 H ATOM 15250 OH2 TIP3 4749 4.249 0.992 3.632 1.00 0.00 WT1 O ATOM 15251 H1 TIP3 4749 0.744 -9.712 22.090 1.00 0.00 WT1 H ATOM 15252 H2 TIP3 4749 -14.494 -0.546 -6.517 1.00 0.00 WT1 H ATOM 15253 OH2 TIP3 4750 -0.024 -1.101 0.603 1.00 0.00 WT1 O ATOM 15254 H1 TIP3 4750 2.146 -0.668 14.486 1.00 0.00 WT1 H ATOM 15255 H2 TIP3 4750 -15.760 17.151 0.890 1.00 0.00 WT1 H ATOM 15256 OH2 TIP3 4751 0.321 0.160 1.624 1.00 0.00 WT1 O ATOM 15257 H1 TIP3 4751 -7.593 -1.562 0.189 1.00 0.00 WT1 H ATOM 15258 H2 TIP3 4751 -23.573 -4.110 -4.755 1.00 0.00 WT1 H ATOM 15259 OH2 TIP3 4752 4.416 0.009 1.666 1.00 0.00 WT1 O ATOM 15260 H1 TIP3 4752 6.709 -15.004 8.577 1.00 0.00 WT1 H ATOM 15261 H2 TIP3 4752 0.833 17.392 2.634 1.00 0.00 WT1 H ATOM 15262 OH2 TIP3 4754 -0.140 -4.038 -0.252 1.00 0.00 WT1 O ATOM 15263 H1 TIP3 4754 -2.797 -7.817 -5.879 1.00 0.00 WT1 H ATOM 15264 H2 TIP3 4754 5.804 9.683 15.138 1.00 0.00 WT1 H ATOM 15265 OH2 TIP3 4759 -1.116 1.254 -0.536 1.00 0.00 WT1 O ATOM 15266 H1 TIP3 4759 -7.095 -1.002 -3.073 1.00 0.00 WT1 H ATOM 15267 H2 TIP3 4759 4.562 3.360 0.530 1.00 0.00 WT1 H ATOM 15268 OH2 TIP3 4760 -6.985 -0.963 2.575 1.00 0.00 WT1 O ATOM 15269 H1 TIP3 4760 -7.580 -3.214 7.189 1.00 0.00 WT1 H ATOM 15270 H2 TIP3 4760 -13.432 -6.864 2.653 1.00 0.00 WT1 H ATOM 15271 OH2 TIP3 4761 -5.684 0.074 -4.542 1.00 0.00 WT1 O ATOM 15272 H1 TIP3 4761 0.635 2.306 -4.491 1.00 0.00 WT1 H ATOM 15273 H2 TIP3 4761 -7.846 4.747 -1.922 1.00 0.00 WT1 H ATOM 15274 OH2 TIP3 4765 3.457 2.140 3.908 1.00 0.00 WT1 O ATOM 15275 H1 TIP3 4765 -9.515 -3.469 7.742 1.00 0.00 WT1 H ATOM 15276 H2 TIP3 4765 -9.381 -1.542 2.976 1.00 0.00 WT1 H ATOM 15277 OH2 TIP3 4767 -1.811 5.647 0.129 1.00 0.00 WT1 O ATOM 15278 H1 TIP3 4767 -10.090 5.253 -8.763 1.00 0.00 WT1 H ATOM 15279 H2 TIP3 4767 -4.223 -3.885 -13.064 1.00 0.00 WT1 H ATOM 15280 OH2 TIP3 4768 2.756 1.984 -2.211 1.00 0.00 WT1 O ATOM 15281 H1 TIP3 4768 -28.629 -7.132 15.595 1.00 0.00 WT1 H ATOM 15282 H2 TIP3 4768 0.659 1.167 -1.073 1.00 0.00 WT1 H ATOM 15283 OH2 TIP3 4769 1.235 8.119 0.764 1.00 0.00 WT1 O ATOM 15284 H1 TIP3 4769 12.077 21.348 -33.680 1.00 0.00 WT1 H ATOM 15285 H2 TIP3 4769 -12.575 -6.349 -4.320 1.00 0.00 WT1 H ATOM 15286 OH2 TIP3 4770 -2.901 -1.163 1.783 1.00 0.00 WT1 O ATOM 15287 H1 TIP3 4770 3.765 -0.330 5.296 1.00 0.00 WT1 H ATOM 15288 H2 TIP3 4770 13.189 -26.580 3.585 1.00 0.00 WT1 H ATOM 15289 OH2 TIP3 4771 -2.658 -4.217 0.841 1.00 0.00 WT1 O ATOM 15290 H1 TIP3 4771 -19.724 -8.593 -3.648 1.00 0.00 WT1 H ATOM 15291 H2 TIP3 4771 13.640 -7.647 33.949 1.00 0.00 WT1 H ATOM 15292 OH2 TIP3 4772 -5.322 -1.357 -2.812 1.00 0.00 WT1 O ATOM 15293 H1 TIP3 4772 2.697 6.639 -12.494 1.00 0.00 WT1 H ATOM 15294 H2 TIP3 4772 -2.718 3.733 8.723 1.00 0.00 WT1 H ATOM 15295 OH2 TIP3 4773 0.518 0.885 6.185 1.00 0.00 WT1 O ATOM 15296 H1 TIP3 4773 4.899 -3.719 16.840 1.00 0.00 WT1 H ATOM 15297 H2 TIP3 4773 13.330 10.035 5.246 1.00 0.00 WT1 H ATOM 15298 OH2 TIP3 4774 0.460 1.290 0.092 1.00 0.00 WT1 O ATOM 15299 H1 TIP3 4774 -20.677 -13.863 20.419 1.00 0.00 WT1 H ATOM 15300 H2 TIP3 4774 -6.480 -20.335 7.268 1.00 0.00 WT1 H ATOM 15301 OH2 TIP3 4776 -3.076 -4.171 -3.341 1.00 0.00 WT1 O ATOM 15302 H1 TIP3 4776 21.815 -30.875 -9.584 1.00 0.00 WT1 H ATOM 15303 H2 TIP3 4776 16.584 0.692 9.572 1.00 0.00 WT1 H ATOM 15304 OH2 TIP3 4777 -1.388 -5.530 -0.229 1.00 0.00 WT1 O ATOM 15305 H1 TIP3 4777 5.785 13.544 -3.035 1.00 0.00 WT1 H ATOM 15306 H2 TIP3 4777 -21.910 -3.507 0.242 1.00 0.00 WT1 H ATOM 15307 OH2 TIP3 4779 4.495 -0.342 7.378 1.00 0.00 WT1 O ATOM 15308 H1 TIP3 4779 8.386 -3.521 -0.415 1.00 0.00 WT1 H ATOM 15309 H2 TIP3 4779 12.206 2.681 16.079 1.00 0.00 WT1 H ATOM 15310 OH2 TIP3 4783 -0.274 -0.389 -2.265 1.00 0.00 WT1 O ATOM 15311 H1 TIP3 4783 3.280 7.623 -3.533 1.00 0.00 WT1 H ATOM 15312 H2 TIP3 4783 -0.919 5.273 -0.320 1.00 0.00 WT1 H ATOM 15313 OH2 TIP3 4786 0.483 1.519 -0.697 1.00 0.00 WT1 O ATOM 15314 H1 TIP3 4786 2.006 0.151 -5.446 1.00 0.00 WT1 H ATOM 15315 H2 TIP3 4786 12.837 -11.294 -0.735 1.00 0.00 WT1 H ATOM 15316 OH2 TIP3 4787 -9.361 4.662 -1.710 1.00 0.00 WT1 O ATOM 15317 H1 TIP3 4787 11.385 -12.819 1.758 1.00 0.00 WT1 H ATOM 15318 H2 TIP3 4787 -8.605 24.882 -11.508 1.00 0.00 WT1 H ATOM 15319 OH2 TIP3 4788 -9.151 2.614 -5.056 1.00 0.00 WT1 O ATOM 15320 H1 TIP3 4788 -3.171 -5.937 -19.739 1.00 0.00 WT1 H ATOM 15321 H2 TIP3 4788 -7.505 -1.641 -14.586 1.00 0.00 WT1 H ATOM 15322 OH2 TIP3 4790 -2.730 9.254 -2.872 1.00 0.00 WT1 O ATOM 15323 H1 TIP3 4790 -8.977 21.119 -13.905 1.00 0.00 WT1 H ATOM 15324 H2 TIP3 4790 7.989 -3.473 -9.806 1.00 0.00 WT1 H ATOM 15325 OH2 TIP3 4791 5.861 -2.004 -0.798 1.00 0.00 WT1 O ATOM 15326 H1 TIP3 4791 12.292 -10.386 -5.505 1.00 0.00 WT1 H ATOM 15327 H2 TIP3 4791 3.045 2.133 -0.245 1.00 0.00 WT1 H ATOM 15328 OH2 TIP3 4793 5.102 0.618 -0.860 1.00 0.00 WT1 O ATOM 15329 H1 TIP3 4793 1.176 -6.719 -2.504 1.00 0.00 WT1 H ATOM 15330 H2 TIP3 4793 -3.772 -13.904 0.393 1.00 0.00 WT1 H ATOM 15331 OH2 TIP3 4794 -5.027 -5.829 -0.679 1.00 0.00 WT1 O ATOM 15332 H1 TIP3 4794 4.460 -6.833 10.369 1.00 0.00 WT1 H ATOM 15333 H2 TIP3 4794 -5.290 -1.818 -4.586 1.00 0.00 WT1 H ATOM 15334 OH2 TIP3 4796 7.096 -1.960 -2.243 1.00 0.00 WT1 O ATOM 15335 H1 TIP3 4796 -0.086 -21.198 -1.275 1.00 0.00 WT1 H ATOM 15336 H2 TIP3 4796 7.063 -8.868 -23.868 1.00 0.00 WT1 H ATOM 15337 OH2 TIP3 4797 0.913 -4.380 4.995 1.00 0.00 WT1 O ATOM 15338 H1 TIP3 4797 -11.150 6.289 6.137 1.00 0.00 WT1 H ATOM 15339 H2 TIP3 4797 -5.726 -9.894 -0.258 1.00 0.00 WT1 H ATOM 15340 OH2 TIP3 4798 -0.851 6.289 -3.288 1.00 0.00 WT1 O ATOM 15341 H1 TIP3 4798 2.879 29.710 1.796 1.00 0.00 WT1 H ATOM 15342 H2 TIP3 4798 16.250 -3.073 -19.104 1.00 0.00 WT1 H ATOM 15343 OH2 TIP3 4799 5.194 5.377 -2.696 1.00 0.00 WT1 O ATOM 15344 H1 TIP3 4799 20.318 -10.383 -11.926 1.00 0.00 WT1 H ATOM 15345 H2 TIP3 4799 -4.705 16.722 11.143 1.00 0.00 WT1 H ATOM 15346 OH2 TIP3 4800 4.911 -5.362 3.665 1.00 0.00 WT1 O ATOM 15347 H1 TIP3 4800 4.374 1.999 17.709 1.00 0.00 WT1 H ATOM 15348 H2 TIP3 4800 -9.521 6.235 26.930 1.00 0.00 WT1 H ATOM 15349 OH2 TIP3 4801 7.896 4.753 -7.504 1.00 0.00 WT1 O ATOM 15350 H1 TIP3 4801 -5.947 15.257 -2.944 1.00 0.00 WT1 H ATOM 15351 H2 TIP3 4801 10.667 1.114 -6.491 1.00 0.00 WT1 H ATOM 15352 OH2 TIP3 4804 2.121 -2.267 3.340 1.00 0.00 WT1 O ATOM 15353 H1 TIP3 4804 -19.772 -10.759 12.760 1.00 0.00 WT1 H ATOM 15354 H2 TIP3 4804 9.078 -7.611 -1.334 1.00 0.00 WT1 H ATOM 15355 OH2 TIP3 4805 0.387 -3.203 5.527 1.00 0.00 WT1 O ATOM 15356 H1 TIP3 4805 -0.753 -8.898 7.824 1.00 0.00 WT1 H ATOM 15357 H2 TIP3 4805 1.061 12.669 5.150 1.00 0.00 WT1 H ATOM 15358 OH2 TIP3 4806 -2.057 13.812 -5.897 1.00 0.00 WT1 O ATOM 15359 H1 TIP3 4806 3.743 0.757 6.024 1.00 0.00 WT1 H ATOM 15360 H2 TIP3 4806 -1.831 18.224 -14.515 1.00 0.00 WT1 H ATOM 15361 OH2 TIP3 4807 -2.612 3.767 2.012 1.00 0.00 WT1 O ATOM 15362 H1 TIP3 4807 0.017 6.273 4.245 1.00 0.00 WT1 H ATOM 15363 H2 TIP3 4807 23.076 26.420 23.704 1.00 0.00 WT1 H ATOM 15364 OH2 TIP3 4808 1.395 5.652 -5.664 1.00 0.00 WT1 O ATOM 15365 H1 TIP3 4808 -7.387 25.980 -12.877 1.00 0.00 WT1 H ATOM 15366 H2 TIP3 4808 -0.960 7.578 -6.343 1.00 0.00 WT1 H ATOM 15367 OH2 TIP3 4809 -0.641 1.291 -1.244 1.00 0.00 WT1 O ATOM 15368 H1 TIP3 4809 3.094 24.784 16.462 1.00 0.00 WT1 H ATOM 15369 H2 TIP3 4809 1.648 15.712 9.620 1.00 0.00 WT1 H ATOM 15370 OH2 TIP3 4812 0.108 4.162 -3.764 1.00 0.00 WT1 O ATOM 15371 H1 TIP3 4812 11.346 8.152 -13.504 1.00 0.00 WT1 H ATOM 15372 H2 TIP3 4812 15.903 24.519 4.870 1.00 0.00 WT1 H ATOM 15373 OH2 TIP3 4813 5.215 -7.686 2.466 1.00 0.00 WT1 O ATOM 15374 H1 TIP3 4813 -29.345 27.145 -26.712 1.00 0.00 WT1 H ATOM 15375 H2 TIP3 4813 6.439 5.572 2.689 1.00 0.00 WT1 H ATOM 15376 OH2 TIP3 4814 -1.229 -3.419 4.985 1.00 0.00 WT1 O ATOM 15377 H1 TIP3 4814 1.797 -10.604 6.626 1.00 0.00 WT1 H ATOM 15378 H2 TIP3 4814 3.516 2.315 6.350 1.00 0.00 WT1 H ATOM 15379 OH2 TIP3 4815 -4.250 5.105 -2.261 1.00 0.00 WT1 O ATOM 15380 H1 TIP3 4815 3.865 -2.536 -5.891 1.00 0.00 WT1 H ATOM 15381 H2 TIP3 4815 -2.218 9.461 8.050 1.00 0.00 WT1 H ATOM 15382 OH2 TIP3 4816 9.214 -0.230 5.135 1.00 0.00 WT1 O ATOM 15383 H1 TIP3 4816 -9.826 -3.942 -0.331 1.00 0.00 WT1 H ATOM 15384 H2 TIP3 4816 11.759 2.789 -1.315 1.00 0.00 WT1 H ATOM 15385 OH2 TIP3 4820 4.410 -0.308 2.236 1.00 0.00 WT1 O ATOM 15386 H1 TIP3 4820 3.925 -4.868 1.414 1.00 0.00 WT1 H ATOM 15387 H2 TIP3 4820 -8.729 -22.545 5.743 1.00 0.00 WT1 H ATOM 15388 OH2 TIP3 4821 -6.173 4.919 -0.965 1.00 0.00 WT1 O ATOM 15389 H1 TIP3 4821 21.717 8.664 -8.602 1.00 0.00 WT1 H ATOM 15390 H2 TIP3 4821 24.145 10.034 -3.541 1.00 0.00 WT1 H ATOM 15391 OH2 TIP3 4822 -5.193 -3.483 -10.159 1.00 0.00 WT1 O ATOM 15392 H1 TIP3 4822 -3.392 2.193 -3.789 1.00 0.00 WT1 H ATOM 15393 H2 TIP3 4822 2.657 -8.789 -15.070 1.00 0.00 WT1 H ATOM 15394 OH2 TIP3 4824 0.493 2.389 0.849 1.00 0.00 WT1 O ATOM 15395 H1 TIP3 4824 -11.488 10.694 2.083 1.00 0.00 WT1 H ATOM 15396 H2 TIP3 4824 -5.108 -9.338 2.705 1.00 0.00 WT1 H ATOM 15397 OH2 TIP3 4825 7.180 0.413 -3.830 1.00 0.00 WT1 O ATOM 15398 H1 TIP3 4825 -14.882 -6.311 -8.971 1.00 0.00 WT1 H ATOM 15399 H2 TIP3 4825 -3.112 -13.003 -8.380 1.00 0.00 WT1 H ATOM 15400 OH2 TIP3 4829 0.337 -4.606 0.142 1.00 0.00 WT1 O ATOM 15401 H1 TIP3 4829 7.272 15.447 -1.817 1.00 0.00 WT1 H ATOM 15402 H2 TIP3 4829 7.695 13.062 -0.316 1.00 0.00 WT1 H ATOM 15403 OH2 TIP3 4832 1.151 -1.183 -0.923 1.00 0.00 WT1 O ATOM 15404 H1 TIP3 4832 5.511 4.775 -8.816 1.00 0.00 WT1 H ATOM 15405 H2 TIP3 4832 -8.287 -10.054 12.790 1.00 0.00 WT1 H ATOM 15406 OH2 TIP3 4833 -0.147 0.984 5.671 1.00 0.00 WT1 O ATOM 15407 H1 TIP3 4833 -15.473 4.238 27.393 1.00 0.00 WT1 H ATOM 15408 H2 TIP3 4833 -22.700 -7.685 31.315 1.00 0.00 WT1 H ATOM 15409 OH2 TIP3 4834 4.018 -8.957 6.290 1.00 0.00 WT1 O ATOM 15410 H1 TIP3 4834 20.461 3.227 3.081 1.00 0.00 WT1 H ATOM 15411 H2 TIP3 4834 -7.502 -19.338 9.162 1.00 0.00 WT1 H ATOM 15412 OH2 TIP3 4835 2.507 -3.291 0.353 1.00 0.00 WT1 O ATOM 15413 H1 TIP3 4835 8.806 -2.445 10.582 1.00 0.00 WT1 H ATOM 15414 H2 TIP3 4835 12.772 -8.960 3.389 1.00 0.00 WT1 H ATOM 15415 OH2 TIP3 4836 3.372 -2.102 4.042 1.00 0.00 WT1 O ATOM 15416 H1 TIP3 4836 -2.668 -30.006 -3.272 1.00 0.00 WT1 H ATOM 15417 H2 TIP3 4836 -8.206 3.500 -17.351 1.00 0.00 WT1 H ATOM 15418 OH2 TIP3 4837 -0.165 -1.037 7.857 1.00 0.00 WT1 O ATOM 15419 H1 TIP3 4837 -2.468 -5.498 -6.972 1.00 0.00 WT1 H ATOM 15420 H2 TIP3 4837 -0.067 -6.132 13.953 1.00 0.00 WT1 H ATOM 15421 OH2 TIP3 4838 -1.455 -4.454 0.369 1.00 0.00 WT1 O ATOM 15422 H1 TIP3 4838 3.428 -11.755 -9.916 1.00 0.00 WT1 H ATOM 15423 H2 TIP3 4838 -8.892 0.079 8.338 1.00 0.00 WT1 H ATOM 15424 OH2 TIP3 4839 -3.266 1.004 -0.438 1.00 0.00 WT1 O ATOM 15425 H1 TIP3 4839 -16.289 5.872 17.485 1.00 0.00 WT1 H ATOM 15426 H2 TIP3 4839 -3.012 18.516 -13.436 1.00 0.00 WT1 H ATOM 15427 OH2 TIP3 4841 2.317 -0.270 -9.467 1.00 0.00 WT1 O ATOM 15428 H1 TIP3 4841 2.669 -0.723 -2.591 1.00 0.00 WT1 H ATOM 15429 H2 TIP3 4841 4.775 3.263 6.514 1.00 0.00 WT1 H ATOM 15430 OH2 TIP3 4844 3.517 1.377 3.046 1.00 0.00 WT1 O ATOM 15431 H1 TIP3 4844 -6.906 11.029 -12.633 1.00 0.00 WT1 H ATOM 15432 H2 TIP3 4844 -20.036 -10.023 15.306 1.00 0.00 WT1 H ATOM 15433 OH2 TIP3 4845 0.045 3.017 -0.599 1.00 0.00 WT1 O ATOM 15434 H1 TIP3 4845 0.127 -3.244 -0.423 1.00 0.00 WT1 H ATOM 15435 H2 TIP3 4845 -0.015 7.965 -2.233 1.00 0.00 WT1 H ATOM 15436 OH2 TIP3 4847 1.091 0.593 -4.501 1.00 0.00 WT1 O ATOM 15437 H1 TIP3 4847 0.140 1.039 -7.244 1.00 0.00 WT1 H ATOM 15438 H2 TIP3 4847 12.962 8.125 -9.910 1.00 0.00 WT1 H ATOM 15439 OH2 TIP3 4849 -4.483 -2.398 -4.462 1.00 0.00 WT1 O ATOM 15440 H1 TIP3 4849 5.700 1.407 5.204 1.00 0.00 WT1 H ATOM 15441 H2 TIP3 4849 -9.900 9.921 4.130 1.00 0.00 WT1 H ATOM 15442 OH2 TIP3 4850 -0.618 -2.552 -3.951 1.00 0.00 WT1 O ATOM 15443 H1 TIP3 4850 -2.441 2.857 -0.772 1.00 0.00 WT1 H ATOM 15444 H2 TIP3 4850 1.912 -2.334 -0.947 1.00 0.00 WT1 H ATOM 15445 OH2 TIP3 4851 5.785 1.004 2.157 1.00 0.00 WT1 O ATOM 15446 H1 TIP3 4851 21.332 20.312 11.957 1.00 0.00 WT1 H ATOM 15447 H2 TIP3 4851 -7.692 14.548 -8.602 1.00 0.00 WT1 H ATOM 15448 OH2 TIP3 4852 -1.233 2.146 5.058 1.00 0.00 WT1 O ATOM 15449 H1 TIP3 4852 -14.776 14.098 18.499 1.00 0.00 WT1 H ATOM 15450 H2 TIP3 4852 14.719 18.916 -2.762 1.00 0.00 WT1 H ATOM 15451 OH2 TIP3 4853 -1.609 9.440 2.611 1.00 0.00 WT1 O ATOM 15452 H1 TIP3 4853 -24.755 31.752 -1.242 1.00 0.00 WT1 H ATOM 15453 H2 TIP3 4853 10.286 7.404 -2.776 1.00 0.00 WT1 H ATOM 15454 OH2 TIP3 4854 -4.463 3.801 2.521 1.00 0.00 WT1 O ATOM 15455 H1 TIP3 4854 12.107 -9.812 -2.331 1.00 0.00 WT1 H ATOM 15456 H2 TIP3 4854 -4.486 10.652 -2.097 1.00 0.00 WT1 H ATOM 15457 OH2 TIP3 4855 1.662 4.514 -1.918 1.00 0.00 WT1 O ATOM 15458 H1 TIP3 4855 1.833 1.088 -8.802 1.00 0.00 WT1 H ATOM 15459 H2 TIP3 4855 0.868 27.333 -6.643 1.00 0.00 WT1 H ATOM 15460 OH2 TIP3 4856 -1.342 -1.088 4.188 1.00 0.00 WT1 O ATOM 15461 H1 TIP3 4856 15.811 -13.231 6.774 1.00 0.00 WT1 H ATOM 15462 H2 TIP3 4856 -0.429 21.007 0.327 1.00 0.00 WT1 H ATOM 15463 OH2 TIP3 4857 -5.451 -3.385 0.936 1.00 0.00 WT1 O ATOM 15464 H1 TIP3 4857 -11.729 6.087 -16.740 1.00 0.00 WT1 H ATOM 15465 H2 TIP3 4857 4.090 8.051 18.828 1.00 0.00 WT1 H ATOM 15466 OH2 TIP3 4858 4.211 4.120 -3.588 1.00 0.00 WT1 O ATOM 15467 H1 TIP3 4858 5.666 1.220 3.309 1.00 0.00 WT1 H ATOM 15468 H2 TIP3 4858 -2.860 6.529 0.468 1.00 0.00 WT1 H ATOM 15469 OH2 TIP3 4859 5.374 0.579 1.532 1.00 0.00 WT1 O ATOM 15470 H1 TIP3 4859 -15.836 -2.623 0.189 1.00 0.00 WT1 H ATOM 15471 H2 TIP3 4859 26.785 8.271 7.382 1.00 0.00 WT1 H ATOM 15472 OH2 TIP3 4861 -1.916 -2.748 3.798 1.00 0.00 WT1 O ATOM 15473 H1 TIP3 4861 -24.431 3.001 -11.001 1.00 0.00 WT1 H ATOM 15474 H2 TIP3 4861 -14.435 -5.209 4.748 1.00 0.00 WT1 H ATOM 15475 OH2 TIP3 4862 2.049 0.881 -4.732 1.00 0.00 WT1 O ATOM 15476 H1 TIP3 4862 8.037 2.417 -4.026 1.00 0.00 WT1 H ATOM 15477 H2 TIP3 4862 -0.475 -2.899 -6.719 1.00 0.00 WT1 H ATOM 15478 OH2 TIP3 4863 5.583 -7.469 1.988 1.00 0.00 WT1 O ATOM 15479 H1 TIP3 4863 -9.166 -2.294 11.047 1.00 0.00 WT1 H ATOM 15480 H2 TIP3 4863 18.126 21.971 14.864 1.00 0.00 WT1 H ATOM 15481 OH2 TIP3 4864 1.441 -3.570 -0.475 1.00 0.00 WT1 O ATOM 15482 H1 TIP3 4864 5.097 -3.966 12.951 1.00 0.00 WT1 H ATOM 15483 H2 TIP3 4864 7.525 8.567 1.992 1.00 0.00 WT1 H ATOM 15484 OH2 TIP3 4866 -3.277 7.534 -1.436 1.00 0.00 WT1 O ATOM 15485 H1 TIP3 4866 1.781 -14.542 -8.164 1.00 0.00 WT1 H ATOM 15486 H2 TIP3 4866 -5.026 26.519 4.967 1.00 0.00 WT1 H ATOM 15487 OH2 TIP3 4869 10.530 1.789 4.550 1.00 0.00 WT1 O ATOM 15488 H1 TIP3 4869 -11.280 15.791 22.877 1.00 0.00 WT1 H ATOM 15489 H2 TIP3 4869 10.688 11.631 5.100 1.00 0.00 WT1 H ATOM 15490 OH2 TIP3 4870 -4.866 -3.876 -2.794 1.00 0.00 WT1 O ATOM 15491 H1 TIP3 4870 13.947 18.088 -4.581 1.00 0.00 WT1 H ATOM 15492 H2 TIP3 4870 -7.447 6.487 -2.770 1.00 0.00 WT1 H ATOM 15493 OH2 TIP3 4872 -1.280 -2.746 3.582 1.00 0.00 WT1 O ATOM 15494 H1 TIP3 4872 -3.053 -17.286 -8.635 1.00 0.00 WT1 H ATOM 15495 H2 TIP3 4872 -3.588 -9.406 0.906 1.00 0.00 WT1 H ATOM 15496 OH2 TIP3 4873 3.389 3.141 2.631 1.00 0.00 WT1 O ATOM 15497 H1 TIP3 4873 0.662 -17.090 -10.577 1.00 0.00 WT1 H ATOM 15498 H2 TIP3 4873 1.504 0.807 -15.330 1.00 0.00 WT1 H ATOM 15499 OH2 TIP3 4874 -5.146 0.991 -0.731 1.00 0.00 WT1 O ATOM 15500 H1 TIP3 4874 -6.667 -14.648 8.353 1.00 0.00 WT1 H ATOM 15501 H2 TIP3 4874 -0.222 14.181 -5.975 1.00 0.00 WT1 H ATOM 15502 OH2 TIP3 4875 3.564 3.807 7.461 1.00 0.00 WT1 O ATOM 15503 H1 TIP3 4875 1.286 1.939 9.944 1.00 0.00 WT1 H ATOM 15504 H2 TIP3 4875 3.307 21.244 20.391 1.00 0.00 WT1 H ATOM 15505 OH2 TIP3 4876 0.031 -1.046 5.914 1.00 0.00 WT1 O ATOM 15506 H1 TIP3 4876 2.154 0.564 1.661 1.00 0.00 WT1 H ATOM 15507 H2 TIP3 4876 6.649 0.980 -5.827 1.00 0.00 WT1 H ATOM 15508 OH2 TIP3 4877 0.639 -1.081 3.053 1.00 0.00 WT1 O ATOM 15509 H1 TIP3 4877 -9.081 11.351 -31.050 1.00 0.00 WT1 H ATOM 15510 H2 TIP3 4877 -3.576 -1.841 -10.042 1.00 0.00 WT1 H ATOM 15511 OH2 TIP3 4879 4.788 5.322 5.141 1.00 0.00 WT1 O ATOM 15512 H1 TIP3 4879 13.935 21.170 -6.910 1.00 0.00 WT1 H ATOM 15513 H2 TIP3 4879 -14.172 11.384 5.472 1.00 0.00 WT1 H ATOM 15514 OH2 TIP3 4880 -5.320 -4.364 -3.319 1.00 0.00 WT1 O ATOM 15515 H1 TIP3 4880 14.231 7.171 -11.915 1.00 0.00 WT1 H ATOM 15516 H2 TIP3 4880 -1.527 8.653 -5.097 1.00 0.00 WT1 H ATOM 15517 OH2 TIP3 4881 -1.332 8.196 2.537 1.00 0.00 WT1 O ATOM 15518 H1 TIP3 4881 22.053 17.373 11.169 1.00 0.00 WT1 H ATOM 15519 H2 TIP3 4881 -5.801 -3.726 -0.919 1.00 0.00 WT1 H ATOM 15520 OH2 TIP3 4882 1.009 7.729 -6.565 1.00 0.00 WT1 O ATOM 15521 H1 TIP3 4882 1.578 -1.351 11.570 1.00 0.00 WT1 H ATOM 15522 H2 TIP3 4882 16.145 -0.488 -19.493 1.00 0.00 WT1 H ATOM 15523 OH2 TIP3 4884 -6.556 -3.990 1.413 1.00 0.00 WT1 O ATOM 15524 H1 TIP3 4884 -12.130 -14.248 5.662 1.00 0.00 WT1 H ATOM 15525 H2 TIP3 4884 -37.209 33.325 10.714 1.00 0.00 WT1 H ATOM 15526 OH2 TIP3 4887 -6.148 0.856 -6.376 1.00 0.00 WT1 O ATOM 15527 H1 TIP3 4887 4.560 -27.262 -8.807 1.00 0.00 WT1 H ATOM 15528 H2 TIP3 4887 -5.631 -10.370 6.025 1.00 0.00 WT1 H ATOM 15529 OH2 TIP3 4888 -2.157 1.838 -3.316 1.00 0.00 WT1 O ATOM 15530 H1 TIP3 4888 8.223 0.925 -9.062 1.00 0.00 WT1 H ATOM 15531 H2 TIP3 4888 0.785 -8.578 7.725 1.00 0.00 WT1 H ATOM 15532 OH2 TIP3 4890 4.776 -5.506 6.263 1.00 0.00 WT1 O ATOM 15533 H1 TIP3 4890 29.779 0.330 -2.526 1.00 0.00 WT1 H ATOM 15534 H2 TIP3 4890 8.117 13.920 13.797 1.00 0.00 WT1 H ATOM 15535 OH2 TIP3 4891 -3.929 3.847 10.777 1.00 0.00 WT1 O ATOM 15536 H1 TIP3 4891 -13.751 -8.762 22.817 1.00 0.00 WT1 H ATOM 15537 H2 TIP3 4891 9.602 14.293 26.716 1.00 0.00 WT1 H ATOM 15538 OH2 TIP3 4893 3.270 5.342 -3.075 1.00 0.00 WT1 O ATOM 15539 H1 TIP3 4893 -9.492 6.298 2.469 1.00 0.00 WT1 H ATOM 15540 H2 TIP3 4893 10.426 -0.945 2.711 1.00 0.00 WT1 H ATOM 15541 OH2 TIP3 4894 -4.053 2.683 -8.711 1.00 0.00 WT1 O ATOM 15542 H1 TIP3 4894 2.987 10.180 -13.255 1.00 0.00 WT1 H ATOM 15543 H2 TIP3 4894 -18.888 -2.043 -4.509 1.00 0.00 WT1 H ATOM 15544 OH2 TIP3 4895 4.681 -1.168 -2.683 1.00 0.00 WT1 O ATOM 15545 H1 TIP3 4895 -4.946 -7.263 -8.544 1.00 0.00 WT1 H ATOM 15546 H2 TIP3 4895 12.862 0.684 6.126 1.00 0.00 WT1 H ATOM 15547 OH2 TIP3 4896 3.517 0.203 -5.205 1.00 0.00 WT1 O ATOM 15548 H1 TIP3 4896 5.897 3.106 -15.511 1.00 0.00 WT1 H ATOM 15549 H2 TIP3 4896 9.870 0.872 6.419 1.00 0.00 WT1 H ATOM 15550 OH2 TIP3 4897 6.371 1.808 0.826 1.00 0.00 WT1 O ATOM 15551 H1 TIP3 4897 18.196 -2.700 7.711 1.00 0.00 WT1 H ATOM 15552 H2 TIP3 4897 5.735 6.356 3.954 1.00 0.00 WT1 H ATOM 15553 OH2 TIP3 4898 -3.934 -0.817 -1.612 1.00 0.00 WT1 O ATOM 15554 H1 TIP3 4898 6.394 8.609 -28.723 1.00 0.00 WT1 H ATOM 15555 H2 TIP3 4898 20.896 -18.399 12.798 1.00 0.00 WT1 H ATOM 15556 OH2 TIP3 4899 1.884 -0.448 -3.783 1.00 0.00 WT1 O ATOM 15557 H1 TIP3 4899 8.913 -4.378 -0.201 1.00 0.00 WT1 H ATOM 15558 H2 TIP3 4899 -19.011 10.076 -11.459 1.00 0.00 WT1 H ATOM 15559 OH2 TIP3 4900 -0.977 1.414 -0.842 1.00 0.00 WT1 O ATOM 15560 H1 TIP3 4900 -1.350 -5.569 -18.382 1.00 0.00 WT1 H ATOM 15561 H2 TIP3 4900 27.250 -8.653 -8.259 1.00 0.00 WT1 H ATOM 15562 OH2 TIP3 4901 6.273 2.304 -5.057 1.00 0.00 WT1 O ATOM 15563 H1 TIP3 4901 4.549 -5.426 -3.398 1.00 0.00 WT1 H ATOM 15564 H2 TIP3 4901 -1.188 -0.244 -0.577 1.00 0.00 WT1 H ATOM 15565 OH2 TIP3 4902 5.179 -0.634 -4.603 1.00 0.00 WT1 O ATOM 15566 H1 TIP3 4902 26.136 13.178 -4.744 1.00 0.00 WT1 H ATOM 15567 H2 TIP3 4902 -13.960 -13.944 -4.493 1.00 0.00 WT1 H ATOM 15568 OH2 TIP3 4903 0.783 1.951 0.190 1.00 0.00 WT1 O ATOM 15569 H1 TIP3 4903 1.052 16.483 -2.670 1.00 0.00 WT1 H ATOM 15570 H2 TIP3 4903 1.972 11.070 -0.660 1.00 0.00 WT1 H ATOM 15571 OH2 TIP3 4904 -1.600 4.680 6.444 1.00 0.00 WT1 O ATOM 15572 H1 TIP3 4904 -1.125 21.637 31.856 1.00 0.00 WT1 H ATOM 15573 H2 TIP3 4904 3.237 34.828 -29.759 1.00 0.00 WT1 H ATOM 15574 OH2 TIP3 4906 -2.928 2.005 5.651 1.00 0.00 WT1 O ATOM 15575 H1 TIP3 4906 1.335 6.439 17.490 1.00 0.00 WT1 H ATOM 15576 H2 TIP3 4906 2.394 3.207 5.394 1.00 0.00 WT1 H ATOM 15577 OH2 TIP3 4908 -5.211 -4.445 0.861 1.00 0.00 WT1 O ATOM 15578 H1 TIP3 4908 4.578 1.198 -5.875 1.00 0.00 WT1 H ATOM 15579 H2 TIP3 4908 -14.198 -8.147 -8.489 1.00 0.00 WT1 H ATOM 15580 OH2 TIP3 4909 -1.666 3.044 4.243 1.00 0.00 WT1 O ATOM 15581 H1 TIP3 4909 -2.448 -1.004 8.155 1.00 0.00 WT1 H ATOM 15582 H2 TIP3 4909 0.292 15.626 15.531 1.00 0.00 WT1 H ATOM 15583 OH2 TIP3 4910 -1.795 -8.119 -8.064 1.00 0.00 WT1 O ATOM 15584 H1 TIP3 4910 -14.799 -4.944 -0.872 1.00 0.00 WT1 H ATOM 15585 H2 TIP3 4910 1.194 3.448 -15.941 1.00 0.00 WT1 H ATOM 15586 OH2 TIP3 4911 -2.509 -4.234 1.174 1.00 0.00 WT1 O ATOM 15587 H1 TIP3 4911 -22.897 -8.010 -2.923 1.00 0.00 WT1 H ATOM 15588 H2 TIP3 4911 23.819 -5.304 10.793 1.00 0.00 WT1 H ATOM 15589 OH2 TIP3 4912 1.678 -4.501 -0.437 1.00 0.00 WT1 O ATOM 15590 H1 TIP3 4912 9.502 -5.540 6.093 1.00 0.00 WT1 H ATOM 15591 H2 TIP3 4912 12.159 -12.373 11.591 1.00 0.00 WT1 H ATOM 15592 OH2 TIP3 4913 5.330 3.789 -2.257 1.00 0.00 WT1 O ATOM 15593 H1 TIP3 4913 -1.880 -16.193 -1.049 1.00 0.00 WT1 H ATOM 15594 H2 TIP3 4913 -17.775 8.623 -10.093 1.00 0.00 WT1 H ATOM 15595 OH2 TIP3 4914 2.094 -3.183 6.218 1.00 0.00 WT1 O ATOM 15596 H1 TIP3 4914 10.227 -9.690 5.313 1.00 0.00 WT1 H ATOM 15597 H2 TIP3 4914 -26.167 19.122 7.391 1.00 0.00 WT1 H ATOM 15598 OH2 TIP3 4915 -1.628 5.182 -9.125 1.00 0.00 WT1 O ATOM 15599 H1 TIP3 4915 7.233 -9.722 8.853 1.00 0.00 WT1 H ATOM 15600 H2 TIP3 4915 -20.896 2.557 -3.981 1.00 0.00 WT1 H ATOM 15601 OH2 TIP3 4916 0.650 -2.447 5.449 1.00 0.00 WT1 O ATOM 15602 H1 TIP3 4916 -14.360 -18.514 -9.232 1.00 0.00 WT1 H ATOM 15603 H2 TIP3 4916 9.452 -7.197 -31.449 1.00 0.00 WT1 H ATOM 15604 OH2 TIP3 4917 -0.051 -2.808 -2.543 1.00 0.00 WT1 O ATOM 15605 H1 TIP3 4917 13.814 11.919 -6.637 1.00 0.00 WT1 H ATOM 15606 H2 TIP3 4917 8.199 4.172 -4.105 1.00 0.00 WT1 H ATOM 15607 OH2 TIP3 4918 -1.387 5.645 2.347 1.00 0.00 WT1 O ATOM 15608 H1 TIP3 4918 10.278 -13.876 13.220 1.00 0.00 WT1 H ATOM 15609 H2 TIP3 4918 7.383 -11.783 11.873 1.00 0.00 WT1 H ATOM 15610 OH2 TIP3 4919 -4.654 -4.622 -5.901 1.00 0.00 WT1 O ATOM 15611 H1 TIP3 4919 -10.817 4.259 7.648 1.00 0.00 WT1 H ATOM 15612 H2 TIP3 4919 -10.611 3.999 -0.717 1.00 0.00 WT1 H ATOM 15613 OH2 TIP3 4920 3.245 0.286 5.048 1.00 0.00 WT1 O ATOM 15614 H1 TIP3 4920 -8.743 -12.947 17.403 1.00 0.00 WT1 H ATOM 15615 H2 TIP3 4920 14.892 1.749 29.557 1.00 0.00 WT1 H ATOM 15616 OH2 TIP3 4922 1.152 5.294 3.085 1.00 0.00 WT1 O ATOM 15617 H1 TIP3 4922 19.115 1.063 0.927 1.00 0.00 WT1 H ATOM 15618 H2 TIP3 4922 -10.564 12.547 6.690 1.00 0.00 WT1 H ATOM 15619 OH2 TIP3 4924 2.233 -0.050 -8.692 1.00 0.00 WT1 O ATOM 15620 H1 TIP3 4924 -6.380 -7.951 -8.686 1.00 0.00 WT1 H ATOM 15621 H2 TIP3 4924 -12.588 3.721 -38.010 1.00 0.00 WT1 H ATOM 15622 OH2 TIP3 4925 -0.124 6.440 -0.814 1.00 0.00 WT1 O ATOM 15623 H1 TIP3 4925 -6.414 -7.078 27.176 1.00 0.00 WT1 H ATOM 15624 H2 TIP3 4925 1.474 -18.418 -19.128 1.00 0.00 WT1 H ATOM 15625 OH2 TIP3 4926 -1.617 -0.427 2.154 1.00 0.00 WT1 O ATOM 15626 H1 TIP3 4926 -3.348 5.296 7.693 1.00 0.00 WT1 H ATOM 15627 H2 TIP3 4926 21.393 0.443 -18.335 1.00 0.00 WT1 H ATOM 15628 OH2 TIP3 4927 -0.428 5.406 3.509 1.00 0.00 WT1 O ATOM 15629 H1 TIP3 4927 -7.358 -0.657 10.248 1.00 0.00 WT1 H ATOM 15630 H2 TIP3 4927 12.834 17.044 -9.960 1.00 0.00 WT1 H ATOM 15631 OH2 TIP3 4928 -2.628 -4.180 4.026 1.00 0.00 WT1 O ATOM 15632 H1 TIP3 4928 -6.840 -34.508 1.821 1.00 0.00 WT1 H ATOM 15633 H2 TIP3 4928 16.453 -16.071 -4.229 1.00 0.00 WT1 H ATOM 15634 OH2 TIP3 4929 -1.751 3.027 -2.731 1.00 0.00 WT1 O ATOM 15635 H1 TIP3 4929 2.997 0.682 0.633 1.00 0.00 WT1 H ATOM 15636 H2 TIP3 4929 -4.851 -0.558 14.357 1.00 0.00 WT1 H ATOM 15637 OH2 TIP3 4930 0.318 -2.054 -2.517 1.00 0.00 WT1 O ATOM 15638 H1 TIP3 4930 -9.480 -5.530 -1.763 1.00 0.00 WT1 H ATOM 15639 H2 TIP3 4930 0.109 -1.372 -2.645 1.00 0.00 WT1 H ATOM 15640 OH2 TIP3 4931 -3.613 -0.415 -4.393 1.00 0.00 WT1 O ATOM 15641 H1 TIP3 4931 -17.383 -19.004 31.510 1.00 0.00 WT1 H ATOM 15642 H2 TIP3 4931 2.623 7.544 -30.337 1.00 0.00 WT1 H ATOM 15643 OH2 TIP3 4932 2.574 -2.695 -3.050 1.00 0.00 WT1 O ATOM 15644 H1 TIP3 4932 6.982 -1.411 -0.684 1.00 0.00 WT1 H ATOM 15645 H2 TIP3 4932 12.818 -0.099 2.552 1.00 0.00 WT1 H ATOM 15646 OH2 TIP3 4934 4.111 -7.198 -0.240 1.00 0.00 WT1 O ATOM 15647 H1 TIP3 4934 23.872 25.621 2.849 1.00 0.00 WT1 H ATOM 15648 H2 TIP3 4934 -3.873 -10.959 3.056 1.00 0.00 WT1 H ATOM 15649 OH2 TIP3 4935 -1.665 2.604 0.766 1.00 0.00 WT1 O ATOM 15650 H1 TIP3 4935 14.726 -5.970 16.922 1.00 0.00 WT1 H ATOM 15651 H2 TIP3 4935 -13.505 11.771 -19.902 1.00 0.00 WT1 H ATOM 15652 OH2 TIP3 4936 -2.176 0.510 -0.326 1.00 0.00 WT1 O ATOM 15653 H1 TIP3 4936 -7.682 -5.579 1.416 1.00 0.00 WT1 H ATOM 15654 H2 TIP3 4936 -8.017 8.602 -1.128 1.00 0.00 WT1 H ATOM 15655 OH2 TIP3 4937 -8.108 -4.603 3.166 1.00 0.00 WT1 O ATOM 15656 H1 TIP3 4937 -10.567 4.541 -0.436 1.00 0.00 WT1 H ATOM 15657 H2 TIP3 4937 -9.368 -6.074 4.271 1.00 0.00 WT1 H ATOM 15658 OH2 TIP3 4938 0.018 -7.343 1.686 1.00 0.00 WT1 O ATOM 15659 H1 TIP3 4938 14.062 -17.740 2.306 1.00 0.00 WT1 H ATOM 15660 H2 TIP3 4938 -13.205 7.598 -0.993 1.00 0.00 WT1 H ATOM 15661 OH2 TIP3 4939 -4.081 -2.741 -2.381 1.00 0.00 WT1 O ATOM 15662 H1 TIP3 4939 -1.911 -10.198 -8.481 1.00 0.00 WT1 H ATOM 15663 H2 TIP3 4939 -4.723 -14.018 16.131 1.00 0.00 WT1 H ATOM 15664 OH2 TIP3 4940 4.994 -7.247 -0.557 1.00 0.00 WT1 O ATOM 15665 H1 TIP3 4940 23.988 -9.681 -0.596 1.00 0.00 WT1 H ATOM 15666 H2 TIP3 4940 3.566 -6.636 -7.545 1.00 0.00 WT1 H ATOM 15667 OH2 TIP3 4941 1.620 -3.039 1.211 1.00 0.00 WT1 O ATOM 15668 H1 TIP3 4941 22.042 5.003 2.441 1.00 0.00 WT1 H ATOM 15669 H2 TIP3 4941 10.479 -0.312 0.790 1.00 0.00 WT1 H ATOM 15670 OH2 TIP3 4942 -1.561 -1.033 1.295 1.00 0.00 WT1 O ATOM 15671 H1 TIP3 4942 -17.347 -19.152 8.306 1.00 0.00 WT1 H ATOM 15672 H2 TIP3 4942 1.736 4.002 9.553 1.00 0.00 WT1 H ATOM 15673 OH2 TIP3 4943 6.665 -5.784 1.142 1.00 0.00 WT1 O ATOM 15674 H1 TIP3 4943 14.483 10.190 -5.491 1.00 0.00 WT1 H ATOM 15675 H2 TIP3 4943 9.265 1.652 -3.274 1.00 0.00 WT1 H ATOM 15676 OH2 TIP3 4947 0.039 2.200 2.966 1.00 0.00 WT1 O ATOM 15677 H1 TIP3 4947 -0.392 19.133 2.059 1.00 0.00 WT1 H ATOM 15678 H2 TIP3 4947 10.684 -4.914 -10.861 1.00 0.00 WT1 H ATOM 15679 OH2 TIP3 4948 -2.199 6.914 -4.409 1.00 0.00 WT1 O ATOM 15680 H1 TIP3 4948 9.938 20.125 -8.542 1.00 0.00 WT1 H ATOM 15681 H2 TIP3 4948 -21.576 17.681 0.203 1.00 0.00 WT1 H ATOM 15682 OH2 TIP3 4949 2.898 1.464 0.794 1.00 0.00 WT1 O ATOM 15683 H1 TIP3 4949 -1.053 3.415 -11.692 1.00 0.00 WT1 H ATOM 15684 H2 TIP3 4949 -10.063 3.581 -11.627 1.00 0.00 WT1 H ATOM 15685 OH2 TIP3 4950 0.619 -1.385 1.103 1.00 0.00 WT1 O ATOM 15686 H1 TIP3 4950 -4.417 6.180 -13.852 1.00 0.00 WT1 H ATOM 15687 H2 TIP3 4950 -23.295 17.432 22.508 1.00 0.00 WT1 H ATOM 15688 OH2 TIP3 4951 -2.628 4.323 -1.306 1.00 0.00 WT1 O ATOM 15689 H1 TIP3 4951 -7.701 5.895 8.642 1.00 0.00 WT1 H ATOM 15690 H2 TIP3 4951 10.966 3.774 6.050 1.00 0.00 WT1 H ATOM 15691 OH2 TIP3 4952 4.571 -1.372 -3.031 1.00 0.00 WT1 O ATOM 15692 H1 TIP3 4952 -8.059 3.960 3.876 1.00 0.00 WT1 H ATOM 15693 H2 TIP3 4952 16.978 -12.122 11.300 1.00 0.00 WT1 H ATOM 15694 OH2 TIP3 4953 1.848 -3.529 3.805 1.00 0.00 WT1 O ATOM 15695 H1 TIP3 4953 2.087 -0.295 3.253 1.00 0.00 WT1 H ATOM 15696 H2 TIP3 4953 6.180 -6.240 5.351 1.00 0.00 WT1 H ATOM 15697 OH2 TIP3 4954 2.624 0.567 2.670 1.00 0.00 WT1 O ATOM 15698 H1 TIP3 4954 -18.739 24.762 12.757 1.00 0.00 WT1 H ATOM 15699 H2 TIP3 4954 -6.105 -13.544 -18.439 1.00 0.00 WT1 H ATOM 15700 OH2 TIP3 4955 -1.464 -1.993 0.130 1.00 0.00 WT1 O ATOM 15701 H1 TIP3 4955 0.789 -2.135 -4.306 1.00 0.00 WT1 H ATOM 15702 H2 TIP3 4955 -8.076 10.577 -8.283 1.00 0.00 WT1 H ATOM 15703 OH2 TIP3 4956 -1.299 0.612 0.284 1.00 0.00 WT1 O ATOM 15704 H1 TIP3 4956 6.199 -0.166 -14.491 1.00 0.00 WT1 H ATOM 15705 H2 TIP3 4956 2.598 13.900 -12.652 1.00 0.00 WT1 H ATOM 15706 OH2 TIP3 4957 1.058 3.881 4.314 1.00 0.00 WT1 O ATOM 15707 H1 TIP3 4957 7.633 9.514 3.098 1.00 0.00 WT1 H ATOM 15708 H2 TIP3 4957 11.813 4.931 5.477 1.00 0.00 WT1 H ATOM 15709 OH2 TIP3 4958 -1.762 -7.816 5.335 1.00 0.00 WT1 O ATOM 15710 H1 TIP3 4958 5.435 2.196 11.027 1.00 0.00 WT1 H ATOM 15711 H2 TIP3 4958 -10.670 -3.080 4.170 1.00 0.00 WT1 H ATOM 15712 OH2 TIP3 4959 2.975 -3.336 -1.424 1.00 0.00 WT1 O ATOM 15713 H1 TIP3 4959 -2.411 -17.564 16.936 1.00 0.00 WT1 H ATOM 15714 H2 TIP3 4959 13.550 16.140 -28.858 1.00 0.00 WT1 H ATOM 15715 OH2 TIP3 4960 -1.351 -3.603 -5.106 1.00 0.00 WT1 O ATOM 15716 H1 TIP3 4960 -4.234 0.172 -12.542 1.00 0.00 WT1 H ATOM 15717 H2 TIP3 4960 -7.755 3.531 1.749 1.00 0.00 WT1 H ATOM 15718 OH2 TIP3 4962 2.266 2.681 -2.919 1.00 0.00 WT1 O ATOM 15719 H1 TIP3 4962 12.558 -5.120 7.702 1.00 0.00 WT1 H ATOM 15720 H2 TIP3 4962 -4.097 18.839 -13.755 1.00 0.00 WT1 H ATOM 15721 OH2 TIP3 4963 0.697 7.683 -1.068 1.00 0.00 WT1 O ATOM 15722 H1 TIP3 4963 -4.642 -7.486 -9.942 1.00 0.00 WT1 H ATOM 15723 H2 TIP3 4963 -1.923 -18.842 -13.835 1.00 0.00 WT1 H ATOM 15724 OH2 TIP3 4964 4.223 -2.832 -0.361 1.00 0.00 WT1 O ATOM 15725 H1 TIP3 4964 -8.184 -6.749 9.776 1.00 0.00 WT1 H ATOM 15726 H2 TIP3 4964 32.542 -8.902 3.670 1.00 0.00 WT1 H ATOM 15727 OH2 TIP3 4965 -2.360 -0.894 -6.027 1.00 0.00 WT1 O ATOM 15728 H1 TIP3 4965 9.637 -17.488 -9.057 1.00 0.00 WT1 H ATOM 15729 H2 TIP3 4965 7.402 -6.978 -1.844 1.00 0.00 WT1 H ATOM 15730 OH2 TIP3 4966 2.442 6.673 0.562 1.00 0.00 WT1 O ATOM 15731 H1 TIP3 4966 5.923 -0.357 16.973 1.00 0.00 WT1 H ATOM 15732 H2 TIP3 4966 0.565 7.221 -1.098 1.00 0.00 WT1 H ATOM 15733 OH2 TIP3 4967 4.189 -6.168 1.253 1.00 0.00 WT1 O ATOM 15734 H1 TIP3 4967 4.572 -9.052 -1.910 1.00 0.00 WT1 H ATOM 15735 H2 TIP3 4967 -2.402 -11.505 5.689 1.00 0.00 WT1 H ATOM 15736 OH2 TIP3 4968 -1.769 1.085 1.087 1.00 0.00 WT1 O ATOM 15737 H1 TIP3 4968 7.471 -4.513 7.961 1.00 0.00 WT1 H ATOM 15738 H2 TIP3 4968 1.759 -1.515 -3.319 1.00 0.00 WT1 H ATOM 15739 OH2 TIP3 4970 -0.629 8.475 8.350 1.00 0.00 WT1 O ATOM 15740 H1 TIP3 4970 20.563 -2.846 -0.269 1.00 0.00 WT1 H ATOM 15741 H2 TIP3 4970 -5.525 -0.838 -6.654 1.00 0.00 WT1 H ATOM 15742 OH2 TIP3 4971 -1.003 3.319 2.906 1.00 0.00 WT1 O ATOM 15743 H1 TIP3 4971 8.354 -0.769 12.839 1.00 0.00 WT1 H ATOM 15744 H2 TIP3 4971 -12.257 -6.445 23.358 1.00 0.00 WT1 H ATOM 15745 OH2 TIP3 4973 3.033 2.682 1.496 1.00 0.00 WT1 O ATOM 15746 H1 TIP3 4973 11.426 -5.892 -10.075 1.00 0.00 WT1 H ATOM 15747 H2 TIP3 4973 2.193 3.623 4.655 1.00 0.00 WT1 H ATOM 15748 OH2 TIP3 4974 -6.366 2.647 0.321 1.00 0.00 WT1 O ATOM 15749 H1 TIP3 4974 -13.518 3.760 5.982 1.00 0.00 WT1 H ATOM 15750 H2 TIP3 4974 0.955 3.774 -4.174 1.00 0.00 WT1 H ATOM 15751 OH2 TIP3 4975 -3.746 -1.952 -0.085 1.00 0.00 WT1 O ATOM 15752 H1 TIP3 4975 -1.690 2.371 -6.016 1.00 0.00 WT1 H ATOM 15753 H2 TIP3 4975 -4.503 -0.503 4.344 1.00 0.00 WT1 H ATOM 15754 OH2 TIP3 4976 -3.275 -0.095 -2.066 1.00 0.00 WT1 O ATOM 15755 H1 TIP3 4976 -7.198 3.271 -10.158 1.00 0.00 WT1 H ATOM 15756 H2 TIP3 4976 -3.647 0.405 -8.124 1.00 0.00 WT1 H ATOM 15757 OH2 TIP3 4977 -0.672 -6.451 -2.131 1.00 0.00 WT1 O ATOM 15758 H1 TIP3 4977 8.564 -15.118 3.438 1.00 0.00 WT1 H ATOM 15759 H2 TIP3 4977 5.447 -15.217 14.265 1.00 0.00 WT1 H ATOM 15760 OH2 TIP3 4978 -8.657 -3.503 -1.693 1.00 0.00 WT1 O ATOM 15761 H1 TIP3 4978 -9.404 -2.392 -3.477 1.00 0.00 WT1 H ATOM 15762 H2 TIP3 4978 -0.292 -8.169 0.243 1.00 0.00 WT1 H ATOM 15763 OH2 TIP3 4979 -0.217 -0.372 0.200 1.00 0.00 WT1 O ATOM 15764 H1 TIP3 4979 0.886 -12.270 11.507 1.00 0.00 WT1 H ATOM 15765 H2 TIP3 4979 4.512 -9.085 -5.520 1.00 0.00 WT1 H ATOM 15766 OH2 TIP3 4980 -1.857 6.762 -3.811 1.00 0.00 WT1 O ATOM 15767 H1 TIP3 4980 -7.086 -0.753 -1.978 1.00 0.00 WT1 H ATOM 15768 H2 TIP3 4980 6.228 -0.058 -2.572 1.00 0.00 WT1 H ATOM 15769 OH2 TIP3 4981 1.316 4.834 0.664 1.00 0.00 WT1 O ATOM 15770 H1 TIP3 4981 2.506 -5.991 6.256 1.00 0.00 WT1 H ATOM 15771 H2 TIP3 4981 -13.431 6.896 21.632 1.00 0.00 WT1 H ATOM 15772 OH2 TIP3 4982 0.065 -2.357 3.624 1.00 0.00 WT1 O ATOM 15773 H1 TIP3 4982 10.406 16.301 3.806 1.00 0.00 WT1 H ATOM 15774 H2 TIP3 4982 4.347 10.589 4.654 1.00 0.00 WT1 H ATOM 15775 OH2 TIP3 4983 1.085 -8.229 4.122 1.00 0.00 WT1 O ATOM 15776 H1 TIP3 4983 -12.800 -17.169 2.341 1.00 0.00 WT1 H ATOM 15777 H2 TIP3 4983 13.418 -5.754 -11.728 1.00 0.00 WT1 H ATOM 15778 OH2 TIP3 4984 -4.409 -1.040 -2.067 1.00 0.00 WT1 O ATOM 15779 H1 TIP3 4984 11.503 5.568 16.252 1.00 0.00 WT1 H ATOM 15780 H2 TIP3 4984 -0.860 -9.896 24.657 1.00 0.00 WT1 H ATOM 15781 OH2 TIP3 4985 -3.095 5.144 0.930 1.00 0.00 WT1 O ATOM 15782 H1 TIP3 4985 -25.290 16.823 11.256 1.00 0.00 WT1 H ATOM 15783 H2 TIP3 4985 -50.367 -12.547 17.516 1.00 0.00 WT1 H ATOM 15784 OH2 TIP3 4986 0.228 0.154 -2.400 1.00 0.00 WT1 O ATOM 15785 H1 TIP3 4986 2.342 -3.819 -0.820 1.00 0.00 WT1 H ATOM 15786 H2 TIP3 4986 5.640 8.536 -0.264 1.00 0.00 WT1 H ATOM 15787 OH2 TIP3 4988 3.074 0.328 0.107 1.00 0.00 WT1 O ATOM 15788 H1 TIP3 4988 15.657 10.839 11.761 1.00 0.00 WT1 H ATOM 15789 H2 TIP3 4988 20.820 5.582 -1.817 1.00 0.00 WT1 H ATOM 15790 OH2 TIP3 4991 1.589 3.722 0.627 1.00 0.00 WT1 O ATOM 15791 H1 TIP3 4991 -10.125 4.990 -10.049 1.00 0.00 WT1 H ATOM 15792 H2 TIP3 4991 -5.739 4.406 -10.210 1.00 0.00 WT1 H ATOM 15793 OH2 TIP3 4992 -2.838 -1.242 7.581 1.00 0.00 WT1 O ATOM 15794 H1 TIP3 4992 -2.945 -2.344 -3.139 1.00 0.00 WT1 H ATOM 15795 H2 TIP3 4992 -7.594 -10.699 -13.333 1.00 0.00 WT1 H ATOM 15796 OH2 TIP3 4993 -4.785 -1.539 -0.502 1.00 0.00 WT1 O ATOM 15797 H1 TIP3 4993 -5.815 9.664 -23.665 1.00 0.00 WT1 H ATOM 15798 H2 TIP3 4993 -5.455 0.270 10.841 1.00 0.00 WT1 H ATOM 15799 OH2 TIP3 4994 2.292 -5.250 0.884 1.00 0.00 WT1 O ATOM 15800 H1 TIP3 4994 4.052 -9.383 0.258 1.00 0.00 WT1 H ATOM 15801 H2 TIP3 4994 2.189 -2.961 -3.740 1.00 0.00 WT1 H ATOM 15802 OH2 TIP3 4995 5.935 -0.545 1.349 1.00 0.00 WT1 O ATOM 15803 H1 TIP3 4995 3.186 3.481 1.199 1.00 0.00 WT1 H ATOM 15804 H2 TIP3 4995 7.863 7.029 0.846 1.00 0.00 WT1 H ATOM 15805 OH2 TIP3 4996 -5.324 4.624 -7.219 1.00 0.00 WT1 O ATOM 15806 H1 TIP3 4996 10.072 -3.254 2.156 1.00 0.00 WT1 H ATOM 15807 H2 TIP3 4996 0.798 36.630 7.808 1.00 0.00 WT1 H ATOM 15808 OH2 TIP3 4997 0.246 3.328 4.270 1.00 0.00 WT1 O ATOM 15809 H1 TIP3 4997 1.522 13.399 -16.586 1.00 0.00 WT1 H ATOM 15810 H2 TIP3 4997 -4.714 -18.993 7.848 1.00 0.00 WT1 H ATOM 15811 OH2 TIP3 4998 1.893 -0.563 -5.723 1.00 0.00 WT1 O ATOM 15812 H1 TIP3 4998 15.594 -4.385 3.772 1.00 0.00 WT1 H ATOM 15813 H2 TIP3 4998 -8.076 -9.251 -9.524 1.00 0.00 WT1 H ATOM 15814 OH2 TIP3 4999 -0.817 -2.932 6.665 1.00 0.00 WT1 O ATOM 15815 H1 TIP3 4999 2.119 6.190 5.661 1.00 0.00 WT1 H ATOM 15816 H2 TIP3 4999 -2.052 8.427 7.383 1.00 0.00 WT1 H ATOM 15817 OH2 TIP3 5000 -7.043 4.717 9.358 1.00 0.00 WT1 O ATOM 15818 H1 TIP3 5000 -1.425 -15.916 2.907 1.00 0.00 WT1 H ATOM 15819 H2 TIP3 5000 24.906 15.215 -11.672 1.00 0.00 WT1 H ATOM 15820 OH2 TIP3 5001 1.067 -5.445 2.858 1.00 0.00 WT1 O ATOM 15821 H1 TIP3 5001 11.378 7.730 2.167 1.00 0.00 WT1 H ATOM 15822 H2 TIP3 5001 -12.744 -19.171 9.439 1.00 0.00 WT1 H ATOM 15823 OH2 TIP3 5002 4.472 -7.419 -0.935 1.00 0.00 WT1 O ATOM 15824 H1 TIP3 5002 3.633 -11.256 -1.927 1.00 0.00 WT1 H ATOM 15825 H2 TIP3 5002 7.320 10.000 2.324 1.00 0.00 WT1 H ATOM 15826 OH2 TIP3 5003 0.972 -1.786 0.057 1.00 0.00 WT1 O ATOM 15827 H1 TIP3 5003 -7.261 -13.634 -0.281 1.00 0.00 WT1 H ATOM 15828 H2 TIP3 5003 -0.203 6.616 -2.094 1.00 0.00 WT1 H ATOM 15829 OH2 TIP3 5004 -1.289 3.160 0.871 1.00 0.00 WT1 O ATOM 15830 H1 TIP3 5004 -12.737 0.990 -1.313 1.00 0.00 WT1 H ATOM 15831 H2 TIP3 5004 -8.957 24.569 -22.050 1.00 0.00 WT1 H ATOM 15832 OH2 TIP3 5005 2.643 4.398 -2.391 1.00 0.00 WT1 O ATOM 15833 H1 TIP3 5005 6.706 4.010 1.661 1.00 0.00 WT1 H ATOM 15834 H2 TIP3 5005 -7.846 -13.533 -6.561 1.00 0.00 WT1 H ATOM 15835 OH2 TIP3 5007 8.778 1.231 3.504 1.00 0.00 WT1 O ATOM 15836 H1 TIP3 5007 7.453 4.807 3.584 1.00 0.00 WT1 H ATOM 15837 H2 TIP3 5007 -10.715 -0.225 13.651 1.00 0.00 WT1 H ATOM 15838 OH2 TIP3 5008 0.528 3.244 0.982 1.00 0.00 WT1 O ATOM 15839 H1 TIP3 5008 -6.650 12.628 3.332 1.00 0.00 WT1 H ATOM 15840 H2 TIP3 5008 23.131 -26.909 -6.046 1.00 0.00 WT1 H ATOM 15841 OH2 TIP3 5009 1.465 5.910 -3.549 1.00 0.00 WT1 O ATOM 15842 H1 TIP3 5009 -7.391 7.873 -10.705 1.00 0.00 WT1 H ATOM 15843 H2 TIP3 5009 -0.948 17.680 11.448 1.00 0.00 WT1 H ATOM 15844 OH2 TIP3 5010 2.327 -5.860 3.218 1.00 0.00 WT1 O ATOM 15845 H1 TIP3 5010 -7.522 -6.905 4.764 1.00 0.00 WT1 H ATOM 15846 H2 TIP3 5010 29.728 -24.112 2.566 1.00 0.00 WT1 H ATOM 15847 OH2 TIP3 5011 -2.915 6.190 -0.682 1.00 0.00 WT1 O ATOM 15848 H1 TIP3 5011 -8.793 11.076 -10.772 1.00 0.00 WT1 H ATOM 15849 H2 TIP3 5011 -2.368 3.522 17.575 1.00 0.00 WT1 H ATOM 15850 OH2 TIP3 5013 -1.742 -2.845 3.017 1.00 0.00 WT1 O ATOM 15851 H1 TIP3 5013 -7.330 -1.613 15.575 1.00 0.00 WT1 H ATOM 15852 H2 TIP3 5013 5.144 6.917 8.355 1.00 0.00 WT1 H ATOM 15853 OH2 TIP3 5014 -1.034 0.589 2.388 1.00 0.00 WT1 O ATOM 15854 H1 TIP3 5014 -1.336 -1.293 0.437 1.00 0.00 WT1 H ATOM 15855 H2 TIP3 5014 1.099 2.177 2.002 1.00 0.00 WT1 H ATOM 15856 OH2 TIP3 5015 -3.599 3.542 -0.567 1.00 0.00 WT1 O ATOM 15857 H1 TIP3 5015 -0.157 14.988 7.610 1.00 0.00 WT1 H ATOM 15858 H2 TIP3 5015 -5.213 8.545 3.367 1.00 0.00 WT1 H ATOM 15859 OH2 TIP3 5016 7.634 0.227 3.084 1.00 0.00 WT1 O ATOM 15860 H1 TIP3 5016 4.779 12.585 -0.788 1.00 0.00 WT1 H ATOM 15861 H2 TIP3 5016 9.879 7.447 3.423 1.00 0.00 WT1 H ATOM 15862 OH2 TIP3 5017 -1.030 2.591 0.847 1.00 0.00 WT1 O ATOM 15863 H1 TIP3 5017 18.771 7.973 -31.239 1.00 0.00 WT1 H ATOM 15864 H2 TIP3 5017 11.078 10.629 -5.931 1.00 0.00 WT1 H ATOM 15865 OH2 TIP3 5018 2.200 -5.294 4.472 1.00 0.00 WT1 O ATOM 15866 H1 TIP3 5018 -1.817 1.528 12.521 1.00 0.00 WT1 H ATOM 15867 H2 TIP3 5018 1.782 -3.678 13.078 1.00 0.00 WT1 H ATOM 15868 OH2 TIP3 5019 2.818 0.266 3.926 1.00 0.00 WT1 O ATOM 15869 H1 TIP3 5019 -19.788 -0.937 -1.344 1.00 0.00 WT1 H ATOM 15870 H2 TIP3 5019 17.009 -1.755 -21.889 1.00 0.00 WT1 H ATOM 15871 OH2 TIP3 5020 -3.529 -0.087 -4.580 1.00 0.00 WT1 O ATOM 15872 H1 TIP3 5020 -7.023 5.483 -6.834 1.00 0.00 WT1 H ATOM 15873 H2 TIP3 5020 -2.476 -6.097 -1.122 1.00 0.00 WT1 H ATOM 15874 OH2 TIP3 5021 -0.435 -4.620 0.558 1.00 0.00 WT1 O ATOM 15875 H1 TIP3 5021 -4.758 -20.904 10.307 1.00 0.00 WT1 H ATOM 15876 H2 TIP3 5021 -4.101 2.844 -6.743 1.00 0.00 WT1 H ATOM 15877 OH2 TIP3 5022 4.588 6.593 5.928 1.00 0.00 WT1 O ATOM 15878 H1 TIP3 5022 -9.720 -4.902 2.730 1.00 0.00 WT1 H ATOM 15879 H2 TIP3 5022 -1.692 1.557 5.467 1.00 0.00 WT1 H ATOM 15880 OH2 TIP3 5023 1.436 3.178 -0.169 1.00 0.00 WT1 O ATOM 15881 H1 TIP3 5023 8.737 5.901 -18.479 1.00 0.00 WT1 H ATOM 15882 H2 TIP3 5023 -2.192 7.688 1.979 1.00 0.00 WT1 H ATOM 15883 OH2 TIP3 5024 4.694 1.943 -2.764 1.00 0.00 WT1 O ATOM 15884 H1 TIP3 5024 14.922 -2.784 -3.345 1.00 0.00 WT1 H ATOM 15885 H2 TIP3 5024 -3.443 7.193 -3.616 1.00 0.00 WT1 H ATOM 15886 OH2 TIP3 5025 -2.566 -3.640 1.876 1.00 0.00 WT1 O ATOM 15887 H1 TIP3 5025 4.991 2.247 -9.137 1.00 0.00 WT1 H ATOM 15888 H2 TIP3 5025 -6.251 -9.195 11.411 1.00 0.00 WT1 H ATOM 15889 OH2 TIP3 5031 -2.347 -2.945 -0.041 1.00 0.00 WT1 O ATOM 15890 H1 TIP3 5031 14.154 -17.797 19.613 1.00 0.00 WT1 H ATOM 15891 H2 TIP3 5031 10.708 -13.889 -25.251 1.00 0.00 WT1 H ATOM 15892 OH2 TIP3 5033 3.326 -1.549 -0.098 1.00 0.00 WT1 O ATOM 15893 H1 TIP3 5033 -15.162 2.690 8.754 1.00 0.00 WT1 H ATOM 15894 H2 TIP3 5033 -9.484 -13.124 -5.724 1.00 0.00 WT1 H ATOM 15895 OH2 TIP3 5035 -3.454 4.054 0.431 1.00 0.00 WT1 O ATOM 15896 H1 TIP3 5035 -2.000 -3.168 -11.695 1.00 0.00 WT1 H ATOM 15897 H2 TIP3 5035 -0.087 11.316 -2.325 1.00 0.00 WT1 H ATOM 15898 OH2 TIP3 5038 -0.858 -4.453 -0.029 1.00 0.00 WT1 O ATOM 15899 H1 TIP3 5038 7.014 7.774 5.333 1.00 0.00 WT1 H ATOM 15900 H2 TIP3 5038 -0.142 -11.156 -8.589 1.00 0.00 WT1 H ATOM 15901 OH2 TIP3 5039 -5.460 -3.160 -1.880 1.00 0.00 WT1 O ATOM 15902 H1 TIP3 5039 -5.504 -11.625 8.152 1.00 0.00 WT1 H ATOM 15903 H2 TIP3 5039 7.578 9.374 -3.778 1.00 0.00 WT1 H ATOM 15904 OH2 TIP3 5040 0.421 5.529 9.244 1.00 0.00 WT1 O ATOM 15905 H1 TIP3 5040 11.590 13.973 14.868 1.00 0.00 WT1 H ATOM 15906 H2 TIP3 5040 8.012 -7.065 4.931 1.00 0.00 WT1 H ATOM 15907 OH2 TIP3 5041 -3.516 -8.431 -3.817 1.00 0.00 WT1 O ATOM 15908 H1 TIP3 5041 3.440 -19.637 -13.338 1.00 0.00 WT1 H ATOM 15909 H2 TIP3 5041 -0.211 -11.864 -1.869 1.00 0.00 WT1 H ATOM 15910 OH2 TIP3 5043 1.870 -0.065 -2.861 1.00 0.00 WT1 O ATOM 15911 H1 TIP3 5043 8.149 4.257 9.637 1.00 0.00 WT1 H ATOM 15912 H2 TIP3 5043 2.270 24.472 -1.589 1.00 0.00 WT1 H ATOM 15913 OH2 TIP3 5044 -6.239 -2.609 4.822 1.00 0.00 WT1 O ATOM 15914 H1 TIP3 5044 6.212 11.672 -10.395 1.00 0.00 WT1 H ATOM 15915 H2 TIP3 5044 -2.063 5.650 -14.660 1.00 0.00 WT1 H ATOM 15916 OH2 TIP3 5045 2.911 4.458 -1.855 1.00 0.00 WT1 O ATOM 15917 H1 TIP3 5045 -28.893 -10.559 -12.405 1.00 0.00 WT1 H ATOM 15918 H2 TIP3 5045 -18.071 -1.111 -6.443 1.00 0.00 WT1 H ATOM 15919 OH2 TIP3 5046 6.086 1.046 3.130 1.00 0.00 WT1 O ATOM 15920 H1 TIP3 5046 -8.404 -0.534 8.351 1.00 0.00 WT1 H ATOM 15921 H2 TIP3 5046 3.974 14.789 -4.832 1.00 0.00 WT1 H ATOM 15922 OH2 TIP3 5047 -2.028 -5.734 1.134 1.00 0.00 WT1 O ATOM 15923 H1 TIP3 5047 3.101 -4.417 0.359 1.00 0.00 WT1 H ATOM 15924 H2 TIP3 5047 4.270 -1.199 -2.770 1.00 0.00 WT1 H ATOM 15925 OH2 TIP3 5048 -3.055 3.810 -0.110 1.00 0.00 WT1 O ATOM 15926 H1 TIP3 5048 18.480 16.631 5.476 1.00 0.00 WT1 H ATOM 15927 H2 TIP3 5048 1.500 36.187 -27.471 1.00 0.00 WT1 H ATOM 15928 OH2 TIP3 5049 -3.565 2.858 -3.520 1.00 0.00 WT1 O ATOM 15929 H1 TIP3 5049 -0.015 -3.303 -10.609 1.00 0.00 WT1 H ATOM 15930 H2 TIP3 5049 9.335 1.666 -19.782 1.00 0.00 WT1 H ATOM 15931 OH2 TIP3 5050 0.359 -1.903 -4.398 1.00 0.00 WT1 O ATOM 15932 H1 TIP3 5050 -6.572 0.363 -29.927 1.00 0.00 WT1 H ATOM 15933 H2 TIP3 5050 7.554 3.154 -21.375 1.00 0.00 WT1 H ATOM 15934 OH2 TIP3 5051 8.408 -6.123 7.211 1.00 0.00 WT1 O ATOM 15935 H1 TIP3 5051 24.071 25.118 -0.271 1.00 0.00 WT1 H ATOM 15936 H2 TIP3 5051 -15.270 -12.306 -21.530 1.00 0.00 WT1 H ATOM 15937 OH2 TIP3 5055 -5.779 7.810 1.104 1.00 0.00 WT1 O ATOM 15938 H1 TIP3 5055 1.023 -10.689 -2.241 1.00 0.00 WT1 H ATOM 15939 H2 TIP3 5055 -18.289 9.617 15.189 1.00 0.00 WT1 H ATOM 15940 OH2 TIP3 5056 0.915 -4.892 7.170 1.00 0.00 WT1 O ATOM 15941 H1 TIP3 5056 1.319 -7.978 -4.653 1.00 0.00 WT1 H ATOM 15942 H2 TIP3 5056 7.515 4.399 2.478 1.00 0.00 WT1 H ATOM 15943 OH2 TIP3 5057 -0.233 -8.384 6.513 1.00 0.00 WT1 O ATOM 15944 H1 TIP3 5057 1.936 14.048 1.960 1.00 0.00 WT1 H ATOM 15945 H2 TIP3 5057 10.426 -9.711 19.530 1.00 0.00 WT1 H ATOM 15946 OH2 TIP3 5058 4.049 -0.641 -1.863 1.00 0.00 WT1 O ATOM 15947 H1 TIP3 5058 -38.544 -19.855 -15.434 1.00 0.00 WT1 H ATOM 15948 H2 TIP3 5058 -3.410 22.949 18.225 1.00 0.00 WT1 H ATOM 15949 OH2 TIP3 5059 3.834 3.150 2.369 1.00 0.00 WT1 O ATOM 15950 H1 TIP3 5059 9.634 5.408 -8.865 1.00 0.00 WT1 H ATOM 15951 H2 TIP3 5059 2.389 -15.463 -8.191 1.00 0.00 WT1 H ATOM 15952 OH2 TIP3 5060 -4.831 2.759 0.813 1.00 0.00 WT1 O ATOM 15953 H1 TIP3 5060 4.881 -13.600 6.725 1.00 0.00 WT1 H ATOM 15954 H2 TIP3 5060 -9.780 26.005 -6.130 1.00 0.00 WT1 H ATOM 15955 OH2 TIP3 5061 1.928 5.545 5.087 1.00 0.00 WT1 O ATOM 15956 H1 TIP3 5061 -5.455 9.688 -10.598 1.00 0.00 WT1 H ATOM 15957 H2 TIP3 5061 6.253 8.592 -3.961 1.00 0.00 WT1 H ATOM 15958 OH2 TIP3 5062 -2.638 2.357 3.026 1.00 0.00 WT1 O ATOM 15959 H1 TIP3 5062 -26.119 7.970 -24.149 1.00 0.00 WT1 H ATOM 15960 H2 TIP3 5062 9.138 -4.986 -18.864 1.00 0.00 WT1 H ATOM 15961 OH2 TIP3 5063 -1.028 0.934 -0.118 1.00 0.00 WT1 O ATOM 15962 H1 TIP3 5063 4.088 0.667 -7.390 1.00 0.00 WT1 H ATOM 15963 H2 TIP3 5063 -6.588 -5.034 6.774 1.00 0.00 WT1 H ATOM 15964 OH2 TIP3 5064 -1.699 3.496 -0.928 1.00 0.00 WT1 O ATOM 15965 H1 TIP3 5064 -5.205 10.984 4.280 1.00 0.00 WT1 H ATOM 15966 H2 TIP3 5064 -1.854 3.320 -5.554 1.00 0.00 WT1 H ATOM 15967 OH2 TIP3 5065 3.139 -1.321 6.733 1.00 0.00 WT1 O ATOM 15968 H1 TIP3 5065 -8.473 8.265 -0.847 1.00 0.00 WT1 H ATOM 15969 H2 TIP3 5065 10.059 -0.991 2.351 1.00 0.00 WT1 H ATOM 15970 OH2 TIP3 5066 -9.807 -2.535 5.157 1.00 0.00 WT1 O ATOM 15971 H1 TIP3 5066 -8.250 6.577 2.769 1.00 0.00 WT1 H ATOM 15972 H2 TIP3 5066 -4.201 -24.104 14.795 1.00 0.00 WT1 H ATOM 15973 OH2 TIP3 5067 0.084 -0.114 -2.811 1.00 0.00 WT1 O ATOM 15974 H1 TIP3 5067 10.125 -26.377 -2.069 1.00 0.00 WT1 H ATOM 15975 H2 TIP3 5067 -3.928 10.712 -2.466 1.00 0.00 WT1 H ATOM 15976 OH2 TIP3 5068 1.685 -0.448 -3.329 1.00 0.00 WT1 O ATOM 15977 H1 TIP3 5068 -10.441 14.755 3.550 1.00 0.00 WT1 H ATOM 15978 H2 TIP3 5068 -4.766 26.623 8.038 1.00 0.00 WT1 H ATOM 15979 OH2 TIP3 5069 -0.044 -2.984 -4.387 1.00 0.00 WT1 O ATOM 15980 H1 TIP3 5069 -0.812 5.572 0.606 1.00 0.00 WT1 H ATOM 15981 H2 TIP3 5069 -9.466 5.126 -6.788 1.00 0.00 WT1 H ATOM 15982 OH2 TIP3 5070 -1.095 2.199 5.031 1.00 0.00 WT1 O ATOM 15983 H1 TIP3 5070 -13.900 14.499 2.146 1.00 0.00 WT1 H ATOM 15984 H2 TIP3 5070 11.720 -6.132 5.478 1.00 0.00 WT1 H ATOM 15985 OH2 TIP3 5072 2.745 0.664 0.270 1.00 0.00 WT1 O ATOM 15986 H1 TIP3 5072 -20.250 -4.474 22.447 1.00 0.00 WT1 H ATOM 15987 H2 TIP3 5072 2.519 -10.230 -0.482 1.00 0.00 WT1 H ATOM 15988 OH2 TIP3 5073 5.192 -4.174 -4.605 1.00 0.00 WT1 O ATOM 15989 H1 TIP3 5073 4.347 -2.104 -1.122 1.00 0.00 WT1 H ATOM 15990 H2 TIP3 5073 4.960 -3.482 -3.597 1.00 0.00 WT1 H ATOM 15991 OH2 TIP3 5074 0.907 -2.539 6.555 1.00 0.00 WT1 O ATOM 15992 H1 TIP3 5074 -27.297 12.899 20.522 1.00 0.00 WT1 H ATOM 15993 H2 TIP3 5074 15.243 -11.390 -3.318 1.00 0.00 WT1 H ATOM 15994 OH2 TIP3 5075 -9.568 -9.864 8.304 1.00 0.00 WT1 O ATOM 15995 H1 TIP3 5075 -29.058 -3.872 16.710 1.00 0.00 WT1 H ATOM 15996 H2 TIP3 5075 -3.320 6.283 0.708 1.00 0.00 WT1 H ATOM 15997 OH2 TIP3 5076 -7.651 1.788 -2.019 1.00 0.00 WT1 O ATOM 15998 H1 TIP3 5076 -7.057 -0.372 -4.324 1.00 0.00 WT1 H ATOM 15999 H2 TIP3 5076 -2.497 -23.513 23.957 1.00 0.00 WT1 H ATOM 16000 OH2 TIP3 5077 -0.849 4.046 -2.412 1.00 0.00 WT1 O ATOM 16001 H1 TIP3 5077 43.643 11.143 14.991 1.00 0.00 WT1 H ATOM 16002 H2 TIP3 5077 2.614 5.539 -23.086 1.00 0.00 WT1 H ATOM 16003 OH2 TIP3 5078 1.311 2.872 4.537 1.00 0.00 WT1 O ATOM 16004 H1 TIP3 5078 0.956 -5.929 -2.318 1.00 0.00 WT1 H ATOM 16005 H2 TIP3 5078 -6.158 9.596 0.547 1.00 0.00 WT1 H ATOM 16006 OH2 TIP3 5080 -4.863 2.800 -4.829 1.00 0.00 WT1 O ATOM 16007 H1 TIP3 5080 17.626 12.778 4.810 1.00 0.00 WT1 H ATOM 16008 H2 TIP3 5080 -56.117 -1.782 16.778 1.00 0.00 WT1 H ATOM 16009 OH2 TIP3 5081 -1.435 -9.158 6.484 1.00 0.00 WT1 O ATOM 16010 H1 TIP3 5081 -7.246 8.920 20.464 1.00 0.00 WT1 H ATOM 16011 H2 TIP3 5081 0.489 -14.407 18.191 1.00 0.00 WT1 H ATOM 16012 OH2 TIP3 5082 2.695 2.108 2.554 1.00 0.00 WT1 O ATOM 16013 H1 TIP3 5082 8.830 -0.428 -8.832 1.00 0.00 WT1 H ATOM 16014 H2 TIP3 5082 -6.444 10.761 -0.472 1.00 0.00 WT1 H ATOM 16015 OH2 TIP3 5084 3.114 2.425 -8.132 1.00 0.00 WT1 O ATOM 16016 H1 TIP3 5084 7.178 3.139 1.343 1.00 0.00 WT1 H ATOM 16017 H2 TIP3 5084 -5.824 8.887 -13.488 1.00 0.00 WT1 H ATOM 16018 OH2 TIP3 5085 -0.075 4.223 -0.463 1.00 0.00 WT1 O ATOM 16019 H1 TIP3 5085 -7.467 3.872 19.275 1.00 0.00 WT1 H ATOM 16020 H2 TIP3 5085 2.363 0.258 0.373 1.00 0.00 WT1 H ATOM 16021 OH2 TIP3 5088 3.005 -0.374 -2.084 1.00 0.00 WT1 O ATOM 16022 H1 TIP3 5088 2.008 1.947 -8.281 1.00 0.00 WT1 H ATOM 16023 H2 TIP3 5088 -7.350 30.682 -5.481 1.00 0.00 WT1 H ATOM 16024 OH2 TIP3 5090 -3.010 6.392 4.316 1.00 0.00 WT1 O ATOM 16025 H1 TIP3 5090 -12.268 1.685 -7.528 1.00 0.00 WT1 H ATOM 16026 H2 TIP3 5090 3.641 -5.451 7.487 1.00 0.00 WT1 H ATOM 16027 OH2 TIP3 5091 5.184 2.742 -4.872 1.00 0.00 WT1 O ATOM 16028 H1 TIP3 5091 13.948 12.397 -18.895 1.00 0.00 WT1 H ATOM 16029 H2 TIP3 5091 12.355 2.959 2.880 1.00 0.00 WT1 H ATOM 16030 OH2 TIP3 5092 -2.244 1.864 0.173 1.00 0.00 WT1 O ATOM 16031 H1 TIP3 5092 -23.991 18.033 -9.448 1.00 0.00 WT1 H ATOM 16032 H2 TIP3 5092 5.047 6.218 -5.318 1.00 0.00 WT1 H ATOM 16033 OH2 TIP3 5093 -2.798 0.698 1.906 1.00 0.00 WT1 O ATOM 16034 H1 TIP3 5093 -9.885 -8.421 10.919 1.00 0.00 WT1 H ATOM 16035 H2 TIP3 5093 20.899 12.281 -19.624 1.00 0.00 WT1 H ATOM 16036 OH2 TIP3 5096 -3.144 -0.537 -6.058 1.00 0.00 WT1 O ATOM 16037 H1 TIP3 5096 -5.405 -3.589 -1.623 1.00 0.00 WT1 H ATOM 16038 H2 TIP3 5096 -2.938 1.738 -5.695 1.00 0.00 WT1 H ATOM 16039 OH2 TIP3 5097 0.306 -5.319 2.209 1.00 0.00 WT1 O ATOM 16040 H1 TIP3 5097 -11.550 4.077 12.179 1.00 0.00 WT1 H ATOM 16041 H2 TIP3 5097 3.428 -8.764 -0.915 1.00 0.00 WT1 H ATOM 16042 OH2 TIP3 5103 5.840 -0.208 3.336 1.00 0.00 WT1 O ATOM 16043 H1 TIP3 5103 -0.672 3.475 1.070 1.00 0.00 WT1 H ATOM 16044 H2 TIP3 5103 11.454 8.170 7.064 1.00 0.00 WT1 H ATOM 16045 OH2 TIP3 5104 0.785 -1.561 0.548 1.00 0.00 WT1 O ATOM 16046 H1 TIP3 5104 3.434 -21.886 27.205 1.00 0.00 WT1 H ATOM 16047 H2 TIP3 5104 1.777 19.549 5.991 1.00 0.00 WT1 H ATOM 16048 OH2 TIP3 5106 0.583 5.210 -0.783 1.00 0.00 WT1 O ATOM 16049 H1 TIP3 5106 -13.994 2.829 -4.879 1.00 0.00 WT1 H ATOM 16050 H2 TIP3 5106 17.526 -2.871 -16.459 1.00 0.00 WT1 H ATOM 16051 OH2 TIP3 5108 0.265 1.162 2.993 1.00 0.00 WT1 O ATOM 16052 H1 TIP3 5108 -12.336 1.725 4.768 1.00 0.00 WT1 H ATOM 16053 H2 TIP3 5108 2.560 -11.442 0.116 1.00 0.00 WT1 H ATOM 16054 OH2 TIP3 5109 2.867 -3.976 -0.965 1.00 0.00 WT1 O ATOM 16055 H1 TIP3 5109 -26.153 6.019 12.928 1.00 0.00 WT1 H ATOM 16056 H2 TIP3 5109 -10.571 -28.643 3.295 1.00 0.00 WT1 H ATOM 16057 OH2 TIP3 5110 -3.559 -3.800 7.307 1.00 0.00 WT1 O ATOM 16058 H1 TIP3 5110 0.196 4.693 -0.819 1.00 0.00 WT1 H ATOM 16059 H2 TIP3 5110 15.945 -9.064 5.236 1.00 0.00 WT1 H ATOM 16060 OH2 TIP3 5111 -5.390 3.508 -1.572 1.00 0.00 WT1 O ATOM 16061 H1 TIP3 5111 -12.401 -0.160 17.963 1.00 0.00 WT1 H ATOM 16062 H2 TIP3 5111 1.579 5.915 2.545 1.00 0.00 WT1 H ATOM 16063 OH2 TIP3 5114 2.770 2.927 -2.356 1.00 0.00 WT1 O ATOM 16064 H1 TIP3 5114 8.064 0.775 7.087 1.00 0.00 WT1 H ATOM 16065 H2 TIP3 5114 -1.051 -0.082 -6.265 1.00 0.00 WT1 H ATOM 16066 OH2 TIP3 5116 -4.716 2.700 -6.891 1.00 0.00 WT1 O ATOM 16067 H1 TIP3 5116 -5.592 10.426 -20.459 1.00 0.00 WT1 H ATOM 16068 H2 TIP3 5116 0.256 -4.434 15.106 1.00 0.00 WT1 H ATOM 16069 OH2 TIP3 5117 -1.848 -6.195 2.244 1.00 0.00 WT1 O ATOM 16070 H1 TIP3 5117 -1.717 -8.072 6.854 1.00 0.00 WT1 H ATOM 16071 H2 TIP3 5117 4.076 2.812 2.908 1.00 0.00 WT1 H ATOM 16072 OH2 TIP3 5122 -0.513 6.523 1.548 1.00 0.00 WT1 O ATOM 16073 H1 TIP3 5122 0.795 1.518 -6.460 1.00 0.00 WT1 H ATOM 16074 H2 TIP3 5122 3.039 4.066 3.512 1.00 0.00 WT1 H ATOM 16075 OH2 TIP3 5124 1.097 -1.432 -2.077 1.00 0.00 WT1 O ATOM 16076 H1 TIP3 5124 17.997 -20.977 4.326 1.00 0.00 WT1 H ATOM 16077 H2 TIP3 5124 1.665 5.177 -8.563 1.00 0.00 WT1 H ATOM 16078 OH2 TIP3 5125 2.304 0.290 11.036 1.00 0.00 WT1 O ATOM 16079 H1 TIP3 5125 -0.361 -3.783 17.894 1.00 0.00 WT1 H ATOM 16080 H2 TIP3 5125 7.575 1.133 1.794 1.00 0.00 WT1 H ATOM 16081 OH2 TIP3 5126 5.098 4.800 1.759 1.00 0.00 WT1 O ATOM 16082 H1 TIP3 5126 0.375 -30.946 4.885 1.00 0.00 WT1 H ATOM 16083 H2 TIP3 5126 -1.002 17.207 -10.172 1.00 0.00 WT1 H ATOM 16084 OH2 TIP3 5127 -2.634 0.728 -0.751 1.00 0.00 WT1 O ATOM 16085 H1 TIP3 5127 -0.394 2.884 2.446 1.00 0.00 WT1 H ATOM 16086 H2 TIP3 5127 -10.775 -8.638 -11.656 1.00 0.00 WT1 H ATOM 16087 OH2 TIP3 5128 -0.886 4.703 2.644 1.00 0.00 WT1 O ATOM 16088 H1 TIP3 5128 -23.311 -4.115 16.297 1.00 0.00 WT1 H ATOM 16089 H2 TIP3 5128 -23.037 -0.073 9.646 1.00 0.00 WT1 H ATOM 16090 OH2 TIP3 5129 -4.619 0.270 2.940 1.00 0.00 WT1 O ATOM 16091 H1 TIP3 5129 15.043 -5.076 -25.551 1.00 0.00 WT1 H ATOM 16092 H2 TIP3 5129 -9.164 -0.987 -8.755 1.00 0.00 WT1 H ATOM 16093 OH2 TIP3 5130 0.993 -2.169 -0.080 1.00 0.00 WT1 O ATOM 16094 H1 TIP3 5130 11.727 7.829 -5.151 1.00 0.00 WT1 H ATOM 16095 H2 TIP3 5130 3.757 -3.957 11.630 1.00 0.00 WT1 H ATOM 16096 OH2 TIP3 5131 -2.452 0.796 1.217 1.00 0.00 WT1 O ATOM 16097 H1 TIP3 5131 5.029 -5.213 -8.343 1.00 0.00 WT1 H ATOM 16098 H2 TIP3 5131 7.718 -2.250 -6.590 1.00 0.00 WT1 H ATOM 16099 OH2 TIP3 5132 -0.326 -8.779 -4.285 1.00 0.00 WT1 O ATOM 16100 H1 TIP3 5132 4.724 6.987 -29.722 1.00 0.00 WT1 H ATOM 16101 H2 TIP3 5132 -2.960 -22.007 6.838 1.00 0.00 WT1 H ATOM 16102 OH2 TIP3 5133 5.649 -3.128 -7.303 1.00 0.00 WT1 O ATOM 16103 H1 TIP3 5133 2.556 2.949 -0.188 1.00 0.00 WT1 H ATOM 16104 H2 TIP3 5133 5.403 1.337 -1.245 1.00 0.00 WT1 H ATOM 16105 OH2 TIP3 5134 -2.934 -1.066 -1.873 1.00 0.00 WT1 O ATOM 16106 H1 TIP3 5134 2.921 -11.924 -10.080 1.00 0.00 WT1 H ATOM 16107 H2 TIP3 5134 16.222 -29.396 -20.043 1.00 0.00 WT1 H ATOM 16108 OH2 TIP3 5135 0.178 -0.535 -3.863 1.00 0.00 WT1 O ATOM 16109 H1 TIP3 5135 -7.376 19.044 26.338 1.00 0.00 WT1 H ATOM 16110 H2 TIP3 5135 -35.012 25.074 21.501 1.00 0.00 WT1 H ATOM 16111 OH2 TIP3 5138 0.544 -3.505 2.843 1.00 0.00 WT1 O ATOM 16112 H1 TIP3 5138 8.618 -7.454 -14.056 1.00 0.00 WT1 H ATOM 16113 H2 TIP3 5138 5.628 18.491 32.044 1.00 0.00 WT1 H ATOM 16114 OH2 TIP3 5143 -0.455 -0.432 -2.942 1.00 0.00 WT1 O ATOM 16115 H1 TIP3 5143 6.574 6.106 2.370 1.00 0.00 WT1 H ATOM 16116 H2 TIP3 5143 -3.342 -6.450 -24.165 1.00 0.00 WT1 H ATOM 16117 OH2 TIP3 5144 2.673 1.117 2.726 1.00 0.00 WT1 O ATOM 16118 H1 TIP3 5144 -4.793 1.957 1.736 1.00 0.00 WT1 H ATOM 16119 H2 TIP3 5144 -7.191 7.069 3.334 1.00 0.00 WT1 H ATOM 16120 OH2 TIP3 5146 5.963 -6.877 1.210 1.00 0.00 WT1 O ATOM 16121 H1 TIP3 5146 1.243 -6.792 -22.903 1.00 0.00 WT1 H ATOM 16122 H2 TIP3 5146 -14.890 -13.249 4.887 1.00 0.00 WT1 H ATOM 16123 OH2 TIP3 5147 0.063 0.535 -2.264 1.00 0.00 WT1 O ATOM 16124 H1 TIP3 5147 4.195 -6.912 -11.154 1.00 0.00 WT1 H ATOM 16125 H2 TIP3 5147 1.466 12.228 4.119 1.00 0.00 WT1 H ATOM 16126 OH2 TIP3 5148 -4.011 2.393 6.921 1.00 0.00 WT1 O ATOM 16127 H1 TIP3 5148 -0.273 8.128 1.814 1.00 0.00 WT1 H ATOM 16128 H2 TIP3 5148 8.862 3.647 -9.947 1.00 0.00 WT1 H ATOM 16129 OH2 TIP3 5149 2.340 4.638 -8.250 1.00 0.00 WT1 O ATOM 16130 H1 TIP3 5149 -4.880 12.244 -5.896 1.00 0.00 WT1 H ATOM 16131 H2 TIP3 5149 4.385 -5.816 -4.467 1.00 0.00 WT1 H ATOM 16132 OH2 TIP3 5151 0.503 -7.764 7.265 1.00 0.00 WT1 O ATOM 16133 H1 TIP3 5151 -6.849 -15.333 10.150 1.00 0.00 WT1 H ATOM 16134 H2 TIP3 5151 10.005 -7.054 23.640 1.00 0.00 WT1 H ATOM 16135 OH2 TIP3 5152 -2.918 -1.567 -2.031 1.00 0.00 WT1 O ATOM 16136 H1 TIP3 5152 -13.683 10.227 -2.294 1.00 0.00 WT1 H ATOM 16137 H2 TIP3 5152 -9.199 -11.096 18.843 1.00 0.00 WT1 H ATOM 16138 OH2 TIP3 5154 -2.254 -5.368 1.516 1.00 0.00 WT1 O ATOM 16139 H1 TIP3 5154 15.165 30.469 -12.646 1.00 0.00 WT1 H ATOM 16140 H2 TIP3 5154 -3.376 -9.641 3.270 1.00 0.00 WT1 H ATOM 16141 OH2 TIP3 5156 3.103 0.718 2.153 1.00 0.00 WT1 O ATOM 16142 H1 TIP3 5156 -4.649 1.109 -13.116 1.00 0.00 WT1 H ATOM 16143 H2 TIP3 5156 -11.626 -9.148 -14.325 1.00 0.00 WT1 H ATOM 16144 OH2 TIP3 5162 -1.708 -1.393 -2.258 1.00 0.00 WT1 O ATOM 16145 H1 TIP3 5162 4.177 -15.416 16.382 1.00 0.00 WT1 H ATOM 16146 H2 TIP3 5162 7.624 2.536 10.584 1.00 0.00 WT1 H ATOM 16147 OH2 TIP3 5163 8.253 -0.125 3.060 1.00 0.00 WT1 O ATOM 16148 H1 TIP3 5163 16.097 11.226 14.461 1.00 0.00 WT1 H ATOM 16149 H2 TIP3 5163 18.439 7.917 23.804 1.00 0.00 WT1 H ATOM 16150 OH2 TIP3 5164 2.235 2.453 -0.683 1.00 0.00 WT1 O ATOM 16151 H1 TIP3 5164 10.429 -1.848 -14.118 1.00 0.00 WT1 H ATOM 16152 H2 TIP3 5164 -9.885 13.504 -1.147 1.00 0.00 WT1 H ATOM 16153 OH2 TIP3 5165 -6.399 -0.473 4.266 1.00 0.00 WT1 O ATOM 16154 H1 TIP3 5165 -0.422 -5.662 -6.196 1.00 0.00 WT1 H ATOM 16155 H2 TIP3 5165 10.482 -9.330 6.280 1.00 0.00 WT1 H ATOM 16156 OH2 TIP3 5166 -2.179 -0.111 2.808 1.00 0.00 WT1 O ATOM 16157 H1 TIP3 5166 -1.453 -9.673 10.060 1.00 0.00 WT1 H ATOM 16158 H2 TIP3 5166 -11.124 10.404 8.052 1.00 0.00 WT1 H ATOM 16159 OH2 TIP3 5167 -4.720 -0.005 -6.496 1.00 0.00 WT1 O ATOM 16160 H1 TIP3 5167 14.223 4.300 -4.576 1.00 0.00 WT1 H ATOM 16161 H2 TIP3 5167 4.367 18.037 -13.880 1.00 0.00 WT1 H ATOM 16162 OH2 TIP3 5168 -2.580 7.932 5.413 1.00 0.00 WT1 O ATOM 16163 H1 TIP3 5168 -6.564 18.886 27.081 1.00 0.00 WT1 H ATOM 16164 H2 TIP3 5168 -3.567 -1.142 13.642 1.00 0.00 WT1 H ATOM 16165 OH2 TIP3 5169 4.148 2.834 -2.162 1.00 0.00 WT1 O ATOM 16166 H1 TIP3 5169 7.147 -1.944 -8.912 1.00 0.00 WT1 H ATOM 16167 H2 TIP3 5169 7.027 9.662 -8.679 1.00 0.00 WT1 H ATOM 16168 OH2 TIP3 5170 1.643 7.041 -0.741 1.00 0.00 WT1 O ATOM 16169 H1 TIP3 5170 5.837 17.171 -6.688 1.00 0.00 WT1 H ATOM 16170 H2 TIP3 5170 -5.790 -17.736 17.093 1.00 0.00 WT1 H ATOM 16171 OH2 TIP3 5171 -1.528 -4.472 -3.578 1.00 0.00 WT1 O ATOM 16172 H1 TIP3 5171 -10.491 2.125 11.332 1.00 0.00 WT1 H ATOM 16173 H2 TIP3 5171 22.495 -1.074 8.724 1.00 0.00 WT1 H ATOM 16174 OH2 TIP3 5172 -1.360 5.908 -0.711 1.00 0.00 WT1 O ATOM 16175 H1 TIP3 5172 9.633 6.546 -8.169 1.00 0.00 WT1 H ATOM 16176 H2 TIP3 5172 -9.701 -10.537 -7.678 1.00 0.00 WT1 H ATOM 16177 OH2 TIP3 5173 -6.031 5.339 -8.445 1.00 0.00 WT1 O ATOM 16178 H1 TIP3 5173 17.387 16.985 -20.798 1.00 0.00 WT1 H ATOM 16179 H2 TIP3 5173 3.848 8.648 -4.991 1.00 0.00 WT1 H ATOM 16180 OH2 TIP3 5174 -0.597 5.590 1.449 1.00 0.00 WT1 O ATOM 16181 H1 TIP3 5174 -3.875 22.415 -8.427 1.00 0.00 WT1 H ATOM 16182 H2 TIP3 5174 3.884 4.352 7.600 1.00 0.00 WT1 H ATOM 16183 OH2 TIP3 5175 3.533 2.517 -5.943 1.00 0.00 WT1 O ATOM 16184 H1 TIP3 5175 -26.304 20.581 -20.826 1.00 0.00 WT1 H ATOM 16185 H2 TIP3 5175 3.885 20.277 2.283 1.00 0.00 WT1 H ATOM 16186 OH2 TIP3 5176 -4.453 -7.880 3.945 1.00 0.00 WT1 O ATOM 16187 H1 TIP3 5176 -8.983 2.547 19.814 1.00 0.00 WT1 H ATOM 16188 H2 TIP3 5176 -6.887 -2.323 7.199 1.00 0.00 WT1 H ATOM 16189 OH2 TIP3 5180 -2.196 0.529 3.338 1.00 0.00 WT1 O ATOM 16190 H1 TIP3 5180 11.068 3.945 11.912 1.00 0.00 WT1 H ATOM 16191 H2 TIP3 5180 16.581 -5.136 -12.341 1.00 0.00 WT1 H ATOM 16192 OH2 TIP3 5185 0.390 11.721 -8.166 1.00 0.00 WT1 O ATOM 16193 H1 TIP3 5185 15.175 -1.569 -16.451 1.00 0.00 WT1 H ATOM 16194 H2 TIP3 5185 31.056 -8.641 -11.567 1.00 0.00 WT1 H ATOM 16195 OH2 TIP3 5186 -4.587 2.102 -1.025 1.00 0.00 WT1 O ATOM 16196 H1 TIP3 5186 -17.809 -14.852 -19.986 1.00 0.00 WT1 H ATOM 16197 H2 TIP3 5186 7.666 12.074 -16.207 1.00 0.00 WT1 H ATOM 16198 OH2 TIP3 5187 5.552 4.120 2.484 1.00 0.00 WT1 O ATOM 16199 H1 TIP3 5187 8.540 5.781 0.038 1.00 0.00 WT1 H ATOM 16200 H2 TIP3 5187 4.434 -7.305 3.513 1.00 0.00 WT1 H ATOM 16201 OH2 TIP3 5188 2.001 5.771 1.590 1.00 0.00 WT1 O ATOM 16202 H1 TIP3 5188 9.359 -14.470 22.585 1.00 0.00 WT1 H ATOM 16203 H2 TIP3 5188 -8.435 -19.626 -8.987 1.00 0.00 WT1 H ATOM 16204 OH2 TIP3 5189 1.422 -1.059 -0.093 1.00 0.00 WT1 O ATOM 16205 H1 TIP3 5189 7.498 -26.048 3.804 1.00 0.00 WT1 H ATOM 16206 H2 TIP3 5189 1.522 -2.534 10.958 1.00 0.00 WT1 H ATOM 16207 OH2 TIP3 5190 -0.300 2.488 -1.487 1.00 0.00 WT1 O ATOM 16208 H1 TIP3 5190 -6.951 7.408 32.358 1.00 0.00 WT1 H ATOM 16209 H2 TIP3 5190 -13.479 -17.078 -10.128 1.00 0.00 WT1 H ATOM 16210 OH2 TIP3 5191 1.744 4.208 5.355 1.00 0.00 WT1 O ATOM 16211 H1 TIP3 5191 -7.462 -3.557 -1.555 1.00 0.00 WT1 H ATOM 16212 H2 TIP3 5191 20.512 12.109 17.235 1.00 0.00 WT1 H ATOM 16213 OH2 TIP3 5192 3.193 0.276 -0.538 1.00 0.00 WT1 O ATOM 16214 H1 TIP3 5192 -10.017 -14.169 -24.116 1.00 0.00 WT1 H ATOM 16215 H2 TIP3 5192 17.501 13.745 26.156 1.00 0.00 WT1 H ATOM 16216 OH2 TIP3 5193 1.606 1.582 0.864 1.00 0.00 WT1 O ATOM 16217 H1 TIP3 5193 -18.935 -9.054 5.749 1.00 0.00 WT1 H ATOM 16218 H2 TIP3 5193 -0.806 -0.030 -10.817 1.00 0.00 WT1 H ATOM 16219 OH2 TIP3 5194 -1.867 4.889 -0.451 1.00 0.00 WT1 O ATOM 16220 H1 TIP3 5194 0.409 -4.560 23.509 1.00 0.00 WT1 H ATOM 16221 H2 TIP3 5194 10.227 -6.453 25.263 1.00 0.00 WT1 H ATOM 16222 OH2 TIP3 5196 -2.415 -2.005 7.337 1.00 0.00 WT1 O ATOM 16223 H1 TIP3 5196 -15.928 0.584 13.730 1.00 0.00 WT1 H ATOM 16224 H2 TIP3 5196 -7.542 0.113 7.530 1.00 0.00 WT1 H ATOM 16225 OH2 TIP3 5199 0.106 6.672 -1.528 1.00 0.00 WT1 O ATOM 16226 H1 TIP3 5199 7.415 21.952 0.229 1.00 0.00 WT1 H ATOM 16227 H2 TIP3 5199 -2.127 10.139 -18.190 1.00 0.00 WT1 H ATOM 16228 OH2 TIP3 5202 1.341 -3.283 -5.152 1.00 0.00 WT1 O ATOM 16229 H1 TIP3 5202 0.511 -3.238 4.193 1.00 0.00 WT1 H ATOM 16230 H2 TIP3 5202 4.535 -1.584 -21.192 1.00 0.00 WT1 H ATOM 16231 OH2 TIP3 5205 1.882 7.569 -1.624 1.00 0.00 WT1 O ATOM 16232 H1 TIP3 5205 10.593 -12.680 -14.598 1.00 0.00 WT1 H ATOM 16233 H2 TIP3 5205 9.197 1.984 20.930 1.00 0.00 WT1 H ATOM 16234 OH2 TIP3 5206 -7.546 -0.613 -5.039 1.00 0.00 WT1 O ATOM 16235 H1 TIP3 5206 18.566 -5.881 -0.701 1.00 0.00 WT1 H ATOM 16236 H2 TIP3 5206 -5.231 1.472 -11.362 1.00 0.00 WT1 H ATOM 16237 OH2 TIP3 5207 4.296 -1.809 0.526 1.00 0.00 WT1 O ATOM 16238 H1 TIP3 5207 0.733 -0.874 -10.865 1.00 0.00 WT1 H ATOM 16239 H2 TIP3 5207 1.250 8.275 4.345 1.00 0.00 WT1 H ATOM 16240 OH2 TIP3 5209 1.128 5.140 -9.297 1.00 0.00 WT1 O ATOM 16241 H1 TIP3 5209 -22.389 11.524 -21.736 1.00 0.00 WT1 H ATOM 16242 H2 TIP3 5209 10.302 -2.143 -26.463 1.00 0.00 WT1 H ATOM 16243 OH2 TIP3 5211 -0.108 -0.551 -4.142 1.00 0.00 WT1 O ATOM 16244 H1 TIP3 5211 6.557 0.306 1.565 1.00 0.00 WT1 H ATOM 16245 H2 TIP3 5211 10.387 -16.638 -17.301 1.00 0.00 WT1 H ATOM 16246 OH2 TIP3 5212 -2.243 4.705 5.797 1.00 0.00 WT1 O ATOM 16247 H1 TIP3 5212 11.819 -1.808 9.724 1.00 0.00 WT1 H ATOM 16248 H2 TIP3 5212 25.105 -14.077 7.476 1.00 0.00 WT1 H ATOM 16249 OH2 TIP3 5213 0.578 -1.547 3.007 1.00 0.00 WT1 O ATOM 16250 H1 TIP3 5213 -16.083 13.607 5.051 1.00 0.00 WT1 H ATOM 16251 H2 TIP3 5213 2.846 -11.446 23.722 1.00 0.00 WT1 H ATOM 16252 OH2 TIP3 5214 2.797 -0.202 -1.236 1.00 0.00 WT1 O ATOM 16253 H1 TIP3 5214 -9.293 -8.839 -11.896 1.00 0.00 WT1 H ATOM 16254 H2 TIP3 5214 -4.178 -4.819 -13.680 1.00 0.00 WT1 H ATOM 16255 OH2 TIP3 5216 0.690 0.761 -0.731 1.00 0.00 WT1 O ATOM 16256 H1 TIP3 5216 -7.583 -4.125 24.273 1.00 0.00 WT1 H ATOM 16257 H2 TIP3 5216 6.751 -33.310 -17.829 1.00 0.00 WT1 H ATOM 16258 OH2 TIP3 5219 2.742 -2.602 -4.701 1.00 0.00 WT1 O ATOM 16259 H1 TIP3 5219 1.632 -8.380 1.468 1.00 0.00 WT1 H ATOM 16260 H2 TIP3 5219 -5.287 5.246 2.875 1.00 0.00 WT1 H ATOM 16261 OH2 TIP3 5226 3.065 -1.506 2.238 1.00 0.00 WT1 O ATOM 16262 H1 TIP3 5226 -8.684 -10.863 12.876 1.00 0.00 WT1 H ATOM 16263 H2 TIP3 5226 -6.783 3.984 -14.830 1.00 0.00 WT1 H ATOM 16264 OH2 TIP3 5230 4.279 -2.533 -4.004 1.00 0.00 WT1 O ATOM 16265 H1 TIP3 5230 11.604 5.991 15.269 1.00 0.00 WT1 H ATOM 16266 H2 TIP3 5230 19.170 -13.015 -12.982 1.00 0.00 WT1 H ATOM 16267 OH2 TIP3 5231 1.203 -3.066 3.088 1.00 0.00 WT1 O ATOM 16268 H1 TIP3 5231 1.238 -2.886 8.900 1.00 0.00 WT1 H ATOM 16269 H2 TIP3 5231 6.092 -1.442 -5.141 1.00 0.00 WT1 H ATOM 16270 OH2 TIP3 5233 5.180 -7.752 -0.257 1.00 0.00 WT1 O ATOM 16271 H1 TIP3 5233 10.846 -14.943 -1.850 1.00 0.00 WT1 H ATOM 16272 H2 TIP3 5233 -4.827 -1.346 -6.537 1.00 0.00 WT1 H ATOM 16273 OH2 TIP3 5236 -5.087 -1.451 -0.061 1.00 0.00 WT1 O ATOM 16274 H1 TIP3 5236 -12.338 5.820 -24.718 1.00 0.00 WT1 H ATOM 16275 H2 TIP3 5236 2.375 -2.759 3.372 1.00 0.00 WT1 H ATOM 16276 OH2 TIP3 5239 3.452 0.303 0.421 1.00 0.00 WT1 O ATOM 16277 H1 TIP3 5239 23.099 19.546 -16.595 1.00 0.00 WT1 H ATOM 16278 H2 TIP3 5239 -1.734 -25.717 -0.352 1.00 0.00 WT1 H ATOM 16279 OH2 TIP3 5241 0.244 2.355 -4.615 1.00 0.00 WT1 O ATOM 16280 H1 TIP3 5241 -16.189 19.021 9.888 1.00 0.00 WT1 H ATOM 16281 H2 TIP3 5241 2.023 10.860 -8.425 1.00 0.00 WT1 H ATOM 16282 OH2 TIP3 5243 0.197 0.820 1.144 1.00 0.00 WT1 O ATOM 16283 H1 TIP3 5243 -5.962 -12.077 -10.585 1.00 0.00 WT1 H ATOM 16284 H2 TIP3 5243 1.357 3.630 -8.447 1.00 0.00 WT1 H ATOM 16285 OH2 TIP3 5246 0.276 1.778 -0.215 1.00 0.00 WT1 O ATOM 16286 H1 TIP3 5246 -1.148 1.263 -3.875 1.00 0.00 WT1 H ATOM 16287 H2 TIP3 5246 1.721 3.157 0.891 1.00 0.00 WT1 H ATOM 16288 OH2 TIP3 5247 -6.372 -0.401 -0.268 1.00 0.00 WT1 O ATOM 16289 H1 TIP3 5247 12.493 20.326 -14.257 1.00 0.00 WT1 H ATOM 16290 H2 TIP3 5247 15.162 -29.235 -3.673 1.00 0.00 WT1 H ATOM 16291 OH2 TIP3 5251 1.790 6.158 1.074 1.00 0.00 WT1 O ATOM 16292 H1 TIP3 5251 -4.473 -9.715 14.917 1.00 0.00 WT1 H ATOM 16293 H2 TIP3 5251 9.491 17.971 -10.671 1.00 0.00 WT1 H ATOM 16294 OH2 TIP3 5252 -2.695 3.705 -10.745 1.00 0.00 WT1 O ATOM 16295 H1 TIP3 5252 6.850 -13.202 -9.035 1.00 0.00 WT1 H ATOM 16296 H2 TIP3 5252 -5.262 4.847 26.534 1.00 0.00 WT1 H ATOM 16297 OH2 TIP3 5253 -1.239 4.955 -6.048 1.00 0.00 WT1 O ATOM 16298 H1 TIP3 5253 3.995 30.727 6.290 1.00 0.00 WT1 H ATOM 16299 H2 TIP3 5253 -0.433 3.140 -23.817 1.00 0.00 WT1 H ATOM 16300 OH2 TIP3 5254 3.285 9.585 -5.303 1.00 0.00 WT1 O ATOM 16301 H1 TIP3 5254 19.061 -1.300 -5.686 1.00 0.00 WT1 H ATOM 16302 H2 TIP3 5254 1.391 1.087 -18.122 1.00 0.00 WT1 H ATOM 16303 OH2 TIP3 5255 4.145 -1.893 -2.354 1.00 0.00 WT1 O ATOM 16304 H1 TIP3 5255 -3.442 -15.104 4.660 1.00 0.00 WT1 H ATOM 16305 H2 TIP3 5255 6.920 9.347 -16.129 1.00 0.00 WT1 H ATOM 16306 OH2 TIP3 5259 -5.092 -3.767 -0.041 1.00 0.00 WT1 O ATOM 16307 H1 TIP3 5259 8.921 -24.199 8.219 1.00 0.00 WT1 H ATOM 16308 H2 TIP3 5259 7.357 -0.738 11.504 1.00 0.00 WT1 H ATOM 16309 OH2 TIP3 5260 -8.277 2.403 4.203 1.00 0.00 WT1 O ATOM 16310 H1 TIP3 5260 -10.221 12.535 9.407 1.00 0.00 WT1 H ATOM 16311 H2 TIP3 5260 -10.341 -6.155 12.687 1.00 0.00 WT1 H ATOM 16312 OH2 TIP3 5264 5.466 -8.370 5.252 1.00 0.00 WT1 O ATOM 16313 H1 TIP3 5264 4.614 -3.114 20.528 1.00 0.00 WT1 H ATOM 16314 H2 TIP3 5264 -0.191 -3.278 2.672 1.00 0.00 WT1 H ATOM 16315 OH2 TIP3 5266 -4.351 -0.623 -4.688 1.00 0.00 WT1 O ATOM 16316 H1 TIP3 5266 1.803 -10.659 -19.575 1.00 0.00 WT1 H ATOM 16317 H2 TIP3 5266 -0.819 -18.032 2.221 1.00 0.00 WT1 H ATOM 16318 OH2 TIP3 5267 -1.277 -3.607 -2.788 1.00 0.00 WT1 O ATOM 16319 H1 TIP3 5267 -1.544 -3.732 -7.403 1.00 0.00 WT1 H ATOM 16320 H2 TIP3 5267 1.209 -12.866 -25.780 1.00 0.00 WT1 H ATOM 16321 OH2 TIP3 5268 -3.354 -7.465 0.181 1.00 0.00 WT1 O ATOM 16322 H1 TIP3 5268 -4.123 0.559 22.799 1.00 0.00 WT1 H ATOM 16323 H2 TIP3 5268 -4.118 16.158 -17.665 1.00 0.00 WT1 H ATOM 16324 OH2 TIP3 5269 -2.512 0.075 -1.056 1.00 0.00 WT1 O ATOM 16325 H1 TIP3 5269 2.898 0.374 24.072 1.00 0.00 WT1 H ATOM 16326 H2 TIP3 5269 -1.714 -6.485 4.797 1.00 0.00 WT1 H ATOM 16327 OH2 TIP3 5270 -6.611 -3.090 -1.982 1.00 0.00 WT1 O ATOM 16328 H1 TIP3 5270 -12.891 9.303 -6.212 1.00 0.00 WT1 H ATOM 16329 H2 TIP3 5270 -0.039 -6.402 -2.701 1.00 0.00 WT1 H ATOM 16330 OH2 TIP3 5271 4.882 -1.507 0.988 1.00 0.00 WT1 O ATOM 16331 H1 TIP3 5271 8.298 -7.773 4.239 1.00 0.00 WT1 H ATOM 16332 H2 TIP3 5271 23.378 -7.438 -2.718 1.00 0.00 WT1 H ATOM 16333 OH2 TIP3 5272 -3.113 -1.454 -5.169 1.00 0.00 WT1 O ATOM 16334 H1 TIP3 5272 -14.628 -12.220 -6.250 1.00 0.00 WT1 H ATOM 16335 H2 TIP3 5272 10.874 10.253 -1.003 1.00 0.00 WT1 H ATOM 16336 OH2 TIP3 5273 1.931 0.337 -7.158 1.00 0.00 WT1 O ATOM 16337 H1 TIP3 5273 9.361 2.291 -7.122 1.00 0.00 WT1 H ATOM 16338 H2 TIP3 5273 4.630 0.824 -8.354 1.00 0.00 WT1 H ATOM 16339 OH2 TIP3 5274 0.028 1.126 2.831 1.00 0.00 WT1 O ATOM 16340 H1 TIP3 5274 -0.645 6.222 -1.984 1.00 0.00 WT1 H ATOM 16341 H2 TIP3 5274 -0.304 10.328 -3.765 1.00 0.00 WT1 H ATOM 16342 OH2 TIP3 5275 3.626 -7.800 -5.265 1.00 0.00 WT1 O ATOM 16343 H1 TIP3 5275 -6.550 -12.689 -7.160 1.00 0.00 WT1 H ATOM 16344 H2 TIP3 5275 9.033 -2.936 -15.874 1.00 0.00 WT1 H ATOM 16345 OH2 TIP3 5276 4.267 -5.408 -5.159 1.00 0.00 WT1 O ATOM 16346 H1 TIP3 5276 7.568 -20.309 -0.505 1.00 0.00 WT1 H ATOM 16347 H2 TIP3 5276 0.843 -4.867 16.307 1.00 0.00 WT1 H ATOM 16348 OH2 TIP3 5277 0.230 5.932 -1.740 1.00 0.00 WT1 O ATOM 16349 H1 TIP3 5277 -12.010 17.441 -7.382 1.00 0.00 WT1 H ATOM 16350 H2 TIP3 5277 3.923 -2.432 5.764 1.00 0.00 WT1 H ATOM 16351 OH2 TIP3 5278 -2.341 -3.186 -5.731 1.00 0.00 WT1 O ATOM 16352 H1 TIP3 5278 -2.803 -5.758 -5.494 1.00 0.00 WT1 H ATOM 16353 H2 TIP3 5278 -12.121 -10.258 11.236 1.00 0.00 WT1 H ATOM 16354 OH2 TIP3 5280 -0.107 1.249 -8.388 1.00 0.00 WT1 O ATOM 16355 H1 TIP3 5280 1.875 10.637 3.510 1.00 0.00 WT1 H ATOM 16356 H2 TIP3 5280 -18.619 -6.243 -14.504 1.00 0.00 WT1 H ATOM 16357 OH2 TIP3 5283 -0.341 -2.118 5.153 1.00 0.00 WT1 O ATOM 16358 H1 TIP3 5283 8.578 11.686 -1.678 1.00 0.00 WT1 H ATOM 16359 H2 TIP3 5283 0.836 -19.258 -2.526 1.00 0.00 WT1 H ATOM 16360 OH2 TIP3 5284 -3.096 2.008 -0.205 1.00 0.00 WT1 O ATOM 16361 H1 TIP3 5284 -21.296 -1.941 9.064 1.00 0.00 WT1 H ATOM 16362 H2 TIP3 5284 5.339 -13.452 -8.608 1.00 0.00 WT1 H ATOM 16363 OH2 TIP3 5286 -1.000 3.849 1.665 1.00 0.00 WT1 O ATOM 16364 H1 TIP3 5286 -7.639 6.460 19.239 1.00 0.00 WT1 H ATOM 16365 H2 TIP3 5286 9.274 -10.750 -14.463 1.00 0.00 WT1 H ATOM 16366 OH2 TIP3 5288 -0.540 -8.420 -1.054 1.00 0.00 WT1 O ATOM 16367 H1 TIP3 5288 -2.159 3.689 1.074 1.00 0.00 WT1 H ATOM 16368 H2 TIP3 5288 -0.272 -6.522 -0.145 1.00 0.00 WT1 H ATOM 16369 OH2 TIP3 5289 1.192 -2.326 -2.525 1.00 0.00 WT1 O ATOM 16370 H1 TIP3 5289 1.136 1.771 -0.931 1.00 0.00 WT1 H ATOM 16371 H2 TIP3 5289 0.866 8.964 3.297 1.00 0.00 WT1 H ATOM 16372 OH2 TIP3 5292 0.457 2.780 1.441 1.00 0.00 WT1 O ATOM 16373 H1 TIP3 5292 -6.394 -0.125 -9.316 1.00 0.00 WT1 H ATOM 16374 H2 TIP3 5292 -0.121 2.883 2.295 1.00 0.00 WT1 H ATOM 16375 OH2 TIP3 5293 3.587 8.170 -7.355 1.00 0.00 WT1 O ATOM 16376 H1 TIP3 5293 5.521 6.790 -9.454 1.00 0.00 WT1 H ATOM 16377 H2 TIP3 5293 5.379 10.171 -7.466 1.00 0.00 WT1 H ATOM 16378 OH2 TIP3 5294 4.333 -3.482 4.685 1.00 0.00 WT1 O ATOM 16379 H1 TIP3 5294 9.574 2.277 8.496 1.00 0.00 WT1 H ATOM 16380 H2 TIP3 5294 -6.068 16.875 -10.996 1.00 0.00 WT1 H ATOM 16381 OH2 TIP3 5295 5.287 -5.447 5.324 1.00 0.00 WT1 O ATOM 16382 H1 TIP3 5295 -9.403 -6.591 1.790 1.00 0.00 WT1 H ATOM 16383 H2 TIP3 5295 -12.364 -17.427 1.467 1.00 0.00 WT1 H ATOM 16384 OH2 TIP3 5296 1.337 -0.127 -3.586 1.00 0.00 WT1 O ATOM 16385 H1 TIP3 5296 7.210 -11.432 1.180 1.00 0.00 WT1 H ATOM 16386 H2 TIP3 5296 6.498 -9.847 -0.386 1.00 0.00 WT1 H ATOM 16387 OH2 TIP3 5297 -6.747 3.941 -3.838 1.00 0.00 WT1 O ATOM 16388 H1 TIP3 5297 -4.390 -15.802 -21.593 1.00 0.00 WT1 H ATOM 16389 H2 TIP3 5297 -22.138 -9.543 10.282 1.00 0.00 WT1 H ATOM 16390 OH2 TIP3 5298 3.685 -2.262 -5.915 1.00 0.00 WT1 O ATOM 16391 H1 TIP3 5298 -1.590 -38.316 5.194 1.00 0.00 WT1 H ATOM 16392 H2 TIP3 5298 10.365 -16.370 -7.258 1.00 0.00 WT1 H ATOM 16393 OH2 TIP3 5300 -4.389 3.907 5.555 1.00 0.00 WT1 O ATOM 16394 H1 TIP3 5300 7.952 -3.317 11.444 1.00 0.00 WT1 H ATOM 16395 H2 TIP3 5300 -23.898 33.515 -8.185 1.00 0.00 WT1 H ATOM 16396 OH2 TIP3 5301 -0.892 6.686 -1.505 1.00 0.00 WT1 O ATOM 16397 H1 TIP3 5301 2.487 -0.083 -6.206 1.00 0.00 WT1 H ATOM 16398 H2 TIP3 5301 -3.422 4.610 2.568 1.00 0.00 WT1 H ATOM 16399 OH2 TIP3 5302 1.484 -1.749 -0.664 1.00 0.00 WT1 O ATOM 16400 H1 TIP3 5302 -15.891 3.768 -8.001 1.00 0.00 WT1 H ATOM 16401 H2 TIP3 5302 2.560 -1.860 3.659 1.00 0.00 WT1 H ATOM 16402 OH2 TIP3 5304 -3.168 -7.367 -4.571 1.00 0.00 WT1 O ATOM 16403 H1 TIP3 5304 -10.402 -6.083 -14.881 1.00 0.00 WT1 H ATOM 16404 H2 TIP3 5304 23.499 -2.515 -5.202 1.00 0.00 WT1 H ATOM 16405 OH2 TIP3 5305 -0.718 -2.795 -3.792 1.00 0.00 WT1 O ATOM 16406 H1 TIP3 5305 -18.127 -29.794 -5.552 1.00 0.00 WT1 H ATOM 16407 H2 TIP3 5305 -13.893 19.424 14.092 1.00 0.00 WT1 H ATOM 16408 OH2 TIP3 5306 -6.391 0.090 1.782 1.00 0.00 WT1 O ATOM 16409 H1 TIP3 5306 12.421 -8.471 0.861 1.00 0.00 WT1 H ATOM 16410 H2 TIP3 5306 10.384 -8.865 7.050 1.00 0.00 WT1 H ATOM 16411 OH2 TIP3 5309 -2.131 -1.104 -1.293 1.00 0.00 WT1 O ATOM 16412 H1 TIP3 5309 8.044 -6.202 2.979 1.00 0.00 WT1 H ATOM 16413 H2 TIP3 5309 -11.132 2.880 -11.458 1.00 0.00 WT1 H ATOM 16414 OH2 TIP3 5311 3.853 1.295 1.200 1.00 0.00 WT1 O ATOM 16415 H1 TIP3 5311 3.971 -7.711 -14.962 1.00 0.00 WT1 H ATOM 16416 H2 TIP3 5311 -7.956 2.629 8.394 1.00 0.00 WT1 H ATOM 16417 OH2 TIP3 5313 0.903 -3.534 -0.336 1.00 0.00 WT1 O ATOM 16418 H1 TIP3 5313 8.601 -4.600 9.326 1.00 0.00 WT1 H ATOM 16419 H2 TIP3 5313 -10.387 1.886 3.831 1.00 0.00 WT1 H ATOM 16420 OH2 TIP3 5314 8.147 -3.252 2.841 1.00 0.00 WT1 O ATOM 16421 H1 TIP3 5314 -11.140 -0.988 -2.148 1.00 0.00 WT1 H ATOM 16422 H2 TIP3 5314 41.813 -5.979 6.227 1.00 0.00 WT1 H ATOM 16423 OH2 TIP3 5315 -6.100 2.418 -0.305 1.00 0.00 WT1 O ATOM 16424 H1 TIP3 5315 9.831 -5.909 1.622 1.00 0.00 WT1 H ATOM 16425 H2 TIP3 5315 7.224 -2.910 0.831 1.00 0.00 WT1 H ATOM 16426 OH2 TIP3 5316 4.916 4.152 -6.023 1.00 0.00 WT1 O ATOM 16427 H1 TIP3 5316 7.079 5.856 -0.327 1.00 0.00 WT1 H ATOM 16428 H2 TIP3 5316 6.153 -0.699 -2.180 1.00 0.00 WT1 H ATOM 16429 OH2 TIP3 5317 5.665 3.018 2.235 1.00 0.00 WT1 O ATOM 16430 H1 TIP3 5317 0.897 2.366 4.137 1.00 0.00 WT1 H ATOM 16431 H2 TIP3 5317 -2.380 -5.885 2.519 1.00 0.00 WT1 H ATOM 16432 OH2 TIP3 5318 0.566 2.574 -0.487 1.00 0.00 WT1 O ATOM 16433 H1 TIP3 5318 -13.757 16.780 1.901 1.00 0.00 WT1 H ATOM 16434 H2 TIP3 5318 3.812 -5.083 18.391 1.00 0.00 WT1 H ATOM 16435 OH2 TIP3 5319 4.470 -6.163 3.238 1.00 0.00 WT1 O ATOM 16436 H1 TIP3 5319 17.899 -9.446 10.460 1.00 0.00 WT1 H ATOM 16437 H2 TIP3 5319 -0.053 -10.040 15.409 1.00 0.00 WT1 H ATOM 16438 OH2 TIP3 5320 1.492 3.650 2.105 1.00 0.00 WT1 O ATOM 16439 H1 TIP3 5320 -11.550 1.246 0.250 1.00 0.00 WT1 H ATOM 16440 H2 TIP3 5320 4.549 11.159 9.716 1.00 0.00 WT1 H ATOM 16441 OH2 TIP3 5322 -3.636 0.145 0.889 1.00 0.00 WT1 O ATOM 16442 H1 TIP3 5322 -19.009 -9.965 8.288 1.00 0.00 WT1 H ATOM 16443 H2 TIP3 5322 13.300 5.450 1.786 1.00 0.00 WT1 H ATOM 16444 OH2 TIP3 5323 -3.078 0.213 3.219 1.00 0.00 WT1 O ATOM 16445 H1 TIP3 5323 -4.365 -10.243 18.144 1.00 0.00 WT1 H ATOM 16446 H2 TIP3 5323 3.629 4.838 -4.504 1.00 0.00 WT1 H ATOM 16447 OH2 TIP3 5325 3.590 -7.020 -8.254 1.00 0.00 WT1 O ATOM 16448 H1 TIP3 5325 2.808 -17.919 0.955 1.00 0.00 WT1 H ATOM 16449 H2 TIP3 5325 -10.364 3.136 4.080 1.00 0.00 WT1 H ATOM 16450 OH2 TIP3 5326 9.191 1.578 -2.138 1.00 0.00 WT1 O ATOM 16451 H1 TIP3 5326 -41.836 -3.177 -14.177 1.00 0.00 WT1 H ATOM 16452 H2 TIP3 5326 0.420 0.248 -4.319 1.00 0.00 WT1 H ATOM 16453 OH2 TIP3 5327 2.522 3.315 -0.376 1.00 0.00 WT1 O ATOM 16454 H1 TIP3 5327 -0.524 12.503 -10.101 1.00 0.00 WT1 H ATOM 16455 H2 TIP3 5327 12.296 -4.284 -5.819 1.00 0.00 WT1 H ATOM 16456 OH2 TIP3 5328 -0.109 2.804 -2.444 1.00 0.00 WT1 O ATOM 16457 H1 TIP3 5328 -4.943 -11.227 3.248 1.00 0.00 WT1 H ATOM 16458 H2 TIP3 5328 -1.657 5.533 12.376 1.00 0.00 WT1 H ATOM 16459 OH2 TIP3 5330 -0.825 -0.977 -4.088 1.00 0.00 WT1 O ATOM 16460 H1 TIP3 5330 5.746 -9.474 0.708 1.00 0.00 WT1 H ATOM 16461 H2 TIP3 5330 -15.896 17.599 -7.354 1.00 0.00 WT1 H ATOM 16462 OH2 TIP3 5331 4.294 -1.596 -0.104 1.00 0.00 WT1 O ATOM 16463 H1 TIP3 5331 5.999 -0.009 -6.197 1.00 0.00 WT1 H ATOM 16464 H2 TIP3 5331 6.055 -7.342 2.646 1.00 0.00 WT1 H ATOM 16465 OH2 TIP3 5333 -2.680 -5.634 -0.477 1.00 0.00 WT1 O ATOM 16466 H1 TIP3 5333 -0.417 -11.330 7.129 1.00 0.00 WT1 H ATOM 16467 H2 TIP3 5333 -5.925 -17.806 14.908 1.00 0.00 WT1 H ATOM 16468 OH2 TIP3 5334 -3.621 2.848 5.299 1.00 0.00 WT1 O ATOM 16469 H1 TIP3 5334 5.298 22.271 3.260 1.00 0.00 WT1 H ATOM 16470 H2 TIP3 5334 -4.944 5.023 19.947 1.00 0.00 WT1 H ATOM 16471 OH2 TIP3 5335 6.296 1.596 -0.602 1.00 0.00 WT1 O ATOM 16472 H1 TIP3 5335 -4.602 10.309 -1.167 1.00 0.00 WT1 H ATOM 16473 H2 TIP3 5335 13.938 -10.885 3.924 1.00 0.00 WT1 H ATOM 16474 OH2 TIP3 5336 -0.828 -1.500 1.143 1.00 0.00 WT1 O ATOM 16475 H1 TIP3 5336 -30.053 6.521 8.044 1.00 0.00 WT1 H ATOM 16476 H2 TIP3 5336 11.301 11.919 -9.769 1.00 0.00 WT1 H ATOM 16477 OH2 TIP3 5338 -0.811 -1.463 1.548 1.00 0.00 WT1 O ATOM 16478 H1 TIP3 5338 2.570 2.983 -11.568 1.00 0.00 WT1 H ATOM 16479 H2 TIP3 5338 -13.135 6.814 4.887 1.00 0.00 WT1 H ATOM 16480 OH2 TIP3 5339 -1.052 -4.853 1.483 1.00 0.00 WT1 O ATOM 16481 H1 TIP3 5339 17.040 1.428 16.346 1.00 0.00 WT1 H ATOM 16482 H2 TIP3 5339 -5.875 -6.034 -3.642 1.00 0.00 WT1 H ATOM 16483 OH2 TIP3 5340 3.363 3.545 1.446 1.00 0.00 WT1 O ATOM 16484 H1 TIP3 5340 16.900 4.081 -11.363 1.00 0.00 WT1 H ATOM 16485 H2 TIP3 5340 11.849 7.715 -2.036 1.00 0.00 WT1 H ATOM 16486 OH2 TIP3 5341 -3.072 -2.137 4.953 1.00 0.00 WT1 O ATOM 16487 H1 TIP3 5341 4.326 -18.601 36.505 1.00 0.00 WT1 H ATOM 16488 H2 TIP3 5341 -1.540 -0.291 12.025 1.00 0.00 WT1 H ATOM 16489 OH2 TIP3 5342 -1.596 -0.114 0.508 1.00 0.00 WT1 O ATOM 16490 H1 TIP3 5342 -8.706 2.581 -6.921 1.00 0.00 WT1 H ATOM 16491 H2 TIP3 5342 6.459 7.001 8.163 1.00 0.00 WT1 H ATOM 16492 OH2 TIP3 5343 -0.353 0.311 2.670 1.00 0.00 WT1 O ATOM 16493 H1 TIP3 5343 10.786 2.956 -10.732 1.00 0.00 WT1 H ATOM 16494 H2 TIP3 5343 4.435 20.504 32.770 1.00 0.00 WT1 H ATOM 16495 OH2 TIP3 5344 0.876 -0.340 -0.433 1.00 0.00 WT1 O ATOM 16496 H1 TIP3 5344 18.120 -2.020 24.261 1.00 0.00 WT1 H ATOM 16497 H2 TIP3 5344 19.869 -0.947 -23.489 1.00 0.00 WT1 H ATOM 16498 OH2 TIP3 5346 -1.115 -1.501 -2.699 1.00 0.00 WT1 O ATOM 16499 H1 TIP3 5346 -6.296 -6.270 -14.126 1.00 0.00 WT1 H ATOM 16500 H2 TIP3 5346 15.400 -11.496 2.282 1.00 0.00 WT1 H ATOM 16501 OH2 TIP3 5348 0.144 1.291 1.429 1.00 0.00 WT1 O ATOM 16502 H1 TIP3 5348 -7.220 7.962 0.746 1.00 0.00 WT1 H ATOM 16503 H2 TIP3 5348 -1.373 -4.668 -6.356 1.00 0.00 WT1 H ATOM 16504 OH2 TIP3 5349 -9.300 -2.099 -2.374 1.00 0.00 WT1 O ATOM 16505 H1 TIP3 5349 -11.053 3.353 -21.194 1.00 0.00 WT1 H ATOM 16506 H2 TIP3 5349 21.127 10.731 8.574 1.00 0.00 WT1 H ATOM 16507 OH2 TIP3 5350 5.804 -6.606 -0.752 1.00 0.00 WT1 O ATOM 16508 H1 TIP3 5350 5.377 7.726 -8.817 1.00 0.00 WT1 H ATOM 16509 H2 TIP3 5350 0.044 8.508 -14.637 1.00 0.00 WT1 H ATOM 16510 OH2 TIP3 5351 -6.462 -0.262 5.801 1.00 0.00 WT1 O ATOM 16511 H1 TIP3 5351 -20.919 6.596 4.131 1.00 0.00 WT1 H ATOM 16512 H2 TIP3 5351 -17.667 7.759 1.662 1.00 0.00 WT1 H ATOM 16513 OH2 TIP3 5352 -7.453 -0.429 -2.308 1.00 0.00 WT1 O ATOM 16514 H1 TIP3 5352 17.299 1.775 17.653 1.00 0.00 WT1 H ATOM 16515 H2 TIP3 5352 -0.867 -2.952 -8.666 1.00 0.00 WT1 H ATOM 16516 OH2 TIP3 5353 -2.743 3.872 -4.746 1.00 0.00 WT1 O ATOM 16517 H1 TIP3 5353 -8.915 -7.382 7.999 1.00 0.00 WT1 H ATOM 16518 H2 TIP3 5353 14.209 11.819 -3.685 1.00 0.00 WT1 H ATOM 16519 OH2 TIP3 5354 -5.792 -3.414 -2.648 1.00 0.00 WT1 O ATOM 16520 H1 TIP3 5354 -2.112 5.814 14.629 1.00 0.00 WT1 H ATOM 16521 H2 TIP3 5354 -1.303 2.389 -17.095 1.00 0.00 WT1 H ATOM 16522 OH2 TIP3 5355 2.751 7.071 5.023 1.00 0.00 WT1 O ATOM 16523 H1 TIP3 5355 -6.690 3.607 -22.289 1.00 0.00 WT1 H ATOM 16524 H2 TIP3 5355 6.816 7.552 1.754 1.00 0.00 WT1 H ATOM 16525 OH2 TIP3 5356 -5.715 -2.602 -5.022 1.00 0.00 WT1 O ATOM 16526 H1 TIP3 5356 6.409 5.426 6.473 1.00 0.00 WT1 H ATOM 16527 H2 TIP3 5356 4.487 6.317 8.184 1.00 0.00 WT1 H ATOM 16528 OH2 TIP3 5357 2.748 -1.176 -1.504 1.00 0.00 WT1 O ATOM 16529 H1 TIP3 5357 -2.784 -4.540 -6.968 1.00 0.00 WT1 H ATOM 16530 H2 TIP3 5357 -10.483 -3.510 -12.734 1.00 0.00 WT1 H ATOM 16531 OH2 TIP3 5358 4.361 4.318 3.202 1.00 0.00 WT1 O ATOM 16532 H1 TIP3 5358 -4.053 -22.341 7.088 1.00 0.00 WT1 H ATOM 16533 H2 TIP3 5358 -14.990 13.866 3.527 1.00 0.00 WT1 H ATOM 16534 OH2 TIP3 5359 0.309 -0.538 0.646 1.00 0.00 WT1 O ATOM 16535 H1 TIP3 5359 -14.190 8.944 0.458 1.00 0.00 WT1 H ATOM 16536 H2 TIP3 5359 -2.824 5.591 -32.090 1.00 0.00 WT1 H ATOM 16537 OH2 TIP3 5360 2.514 1.852 -1.256 1.00 0.00 WT1 O ATOM 16538 H1 TIP3 5360 -25.438 -5.638 4.991 1.00 0.00 WT1 H ATOM 16539 H2 TIP3 5360 11.223 2.939 -10.097 1.00 0.00 WT1 H ATOM 16540 OH2 TIP3 5361 1.546 -2.441 -3.829 1.00 0.00 WT1 O ATOM 16541 H1 TIP3 5361 11.736 6.182 16.554 1.00 0.00 WT1 H ATOM 16542 H2 TIP3 5361 15.421 5.105 -8.274 1.00 0.00 WT1 H ATOM 16543 OH2 TIP3 5364 -0.678 2.760 1.963 1.00 0.00 WT1 O ATOM 16544 H1 TIP3 5364 17.816 -7.992 -14.036 1.00 0.00 WT1 H ATOM 16545 H2 TIP3 5364 9.650 -4.211 10.076 1.00 0.00 WT1 H ATOM 16546 OH2 TIP3 5365 4.098 -1.208 -0.918 1.00 0.00 WT1 O ATOM 16547 H1 TIP3 5365 15.198 -13.821 -6.423 1.00 0.00 WT1 H ATOM 16548 H2 TIP3 5365 -2.022 -9.566 3.519 1.00 0.00 WT1 H ATOM 16549 OH2 TIP3 5366 5.487 4.990 4.036 1.00 0.00 WT1 O ATOM 16550 H1 TIP3 5366 -15.571 -14.524 4.059 1.00 0.00 WT1 H ATOM 16551 H2 TIP3 5366 22.440 19.867 -10.982 1.00 0.00 WT1 H ATOM 16552 OH2 TIP3 5368 3.083 -4.053 1.028 1.00 0.00 WT1 O ATOM 16553 H1 TIP3 5368 0.667 6.880 -21.352 1.00 0.00 WT1 H ATOM 16554 H2 TIP3 5368 -0.012 8.666 -19.532 1.00 0.00 WT1 H ATOM 16555 OH2 TIP3 5369 -2.510 -1.303 3.848 1.00 0.00 WT1 O ATOM 16556 H1 TIP3 5369 -6.818 -1.496 4.760 1.00 0.00 WT1 H ATOM 16557 H2 TIP3 5369 19.006 -6.328 0.314 1.00 0.00 WT1 H ATOM 16558 OH2 TIP3 5370 -2.524 1.905 -3.583 1.00 0.00 WT1 O ATOM 16559 H1 TIP3 5370 -2.945 10.294 -10.214 1.00 0.00 WT1 H ATOM 16560 H2 TIP3 5370 -4.443 -10.502 7.801 1.00 0.00 WT1 H ATOM 16561 OH2 TIP3 5371 4.854 -2.142 -1.135 1.00 0.00 WT1 O ATOM 16562 H1 TIP3 5371 -8.697 -4.198 17.880 1.00 0.00 WT1 H ATOM 16563 H2 TIP3 5371 -3.415 -6.901 -18.730 1.00 0.00 WT1 H ATOM 16564 OH2 TIP3 5372 4.843 -2.191 -0.960 1.00 0.00 WT1 O ATOM 16565 H1 TIP3 5372 1.603 -0.470 -3.652 1.00 0.00 WT1 H ATOM 16566 H2 TIP3 5372 5.269 2.371 5.703 1.00 0.00 WT1 H ATOM 16567 OH2 TIP3 5374 4.791 0.062 -0.793 1.00 0.00 WT1 O ATOM 16568 H1 TIP3 5374 4.449 11.764 2.945 1.00 0.00 WT1 H ATOM 16569 H2 TIP3 5374 7.652 -2.266 11.482 1.00 0.00 WT1 H ATOM 16570 OH2 TIP3 5375 1.603 -2.432 -4.076 1.00 0.00 WT1 O ATOM 16571 H1 TIP3 5375 10.775 -7.413 14.895 1.00 0.00 WT1 H ATOM 16572 H2 TIP3 5375 0.373 -21.440 -13.885 1.00 0.00 WT1 H ATOM 16573 OH2 TIP3 5376 -0.378 -0.374 4.284 1.00 0.00 WT1 O ATOM 16574 H1 TIP3 5376 -11.261 6.658 12.644 1.00 0.00 WT1 H ATOM 16575 H2 TIP3 5376 7.598 10.039 -0.327 1.00 0.00 WT1 H ATOM 16576 OH2 TIP3 5377 4.972 1.184 1.232 1.00 0.00 WT1 O ATOM 16577 H1 TIP3 5377 3.586 1.711 0.495 1.00 0.00 WT1 H ATOM 16578 H2 TIP3 5377 5.448 2.504 -1.377 1.00 0.00 WT1 H ATOM 16579 OH2 TIP3 5378 -0.411 -1.224 1.178 1.00 0.00 WT1 O ATOM 16580 H1 TIP3 5378 -6.681 -6.995 8.118 1.00 0.00 WT1 H ATOM 16581 H2 TIP3 5378 10.158 5.799 -10.869 1.00 0.00 WT1 H ATOM 16582 OH2 TIP3 5379 -5.797 -9.877 -6.705 1.00 0.00 WT1 O ATOM 16583 H1 TIP3 5379 -15.582 -16.765 -0.328 1.00 0.00 WT1 H ATOM 16584 H2 TIP3 5379 -0.515 -17.632 -7.764 1.00 0.00 WT1 H ATOM 16585 OH2 TIP3 5380 3.752 0.054 2.175 1.00 0.00 WT1 O ATOM 16586 H1 TIP3 5380 -26.350 -6.701 3.666 1.00 0.00 WT1 H ATOM 16587 H2 TIP3 5380 33.631 17.925 -8.789 1.00 0.00 WT1 H ATOM 16588 OH2 TIP3 5381 3.031 0.209 2.433 1.00 0.00 WT1 O ATOM 16589 H1 TIP3 5381 1.560 -4.954 7.479 1.00 0.00 WT1 H ATOM 16590 H2 TIP3 5381 17.046 26.356 21.206 1.00 0.00 WT1 H ATOM 16591 OH2 TIP3 5382 -4.301 -4.021 -2.505 1.00 0.00 WT1 O ATOM 16592 H1 TIP3 5382 -2.697 27.247 13.794 1.00 0.00 WT1 H ATOM 16593 H2 TIP3 5382 -1.773 -6.639 -11.751 1.00 0.00 WT1 H ATOM 16594 OH2 TIP3 5383 5.954 -4.458 -0.058 1.00 0.00 WT1 O ATOM 16595 H1 TIP3 5383 -13.313 -1.326 1.772 1.00 0.00 WT1 H ATOM 16596 H2 TIP3 5383 -25.008 -8.160 -1.101 1.00 0.00 WT1 H ATOM 16597 OH2 TIP3 5384 -3.878 0.608 -1.709 1.00 0.00 WT1 O ATOM 16598 H1 TIP3 5384 -8.569 34.019 -19.941 1.00 0.00 WT1 H ATOM 16599 H2 TIP3 5384 -10.758 6.635 6.577 1.00 0.00 WT1 H ATOM 16600 OH2 TIP3 5385 -5.887 3.809 0.283 1.00 0.00 WT1 O ATOM 16601 H1 TIP3 5385 28.270 4.876 5.853 1.00 0.00 WT1 H ATOM 16602 H2 TIP3 5385 6.259 8.490 -3.630 1.00 0.00 WT1 H ATOM 16603 OH2 TIP3 5388 0.655 -1.595 -3.573 1.00 0.00 WT1 O ATOM 16604 H1 TIP3 5388 -2.755 -7.510 12.900 1.00 0.00 WT1 H ATOM 16605 H2 TIP3 5388 0.345 -3.696 -0.414 1.00 0.00 WT1 H ATOM 16606 OH2 TIP3 5389 0.485 8.905 -1.179 1.00 0.00 WT1 O ATOM 16607 H1 TIP3 5389 -6.132 5.674 3.701 1.00 0.00 WT1 H ATOM 16608 H2 TIP3 5389 1.534 15.859 -6.515 1.00 0.00 WT1 H ATOM 16609 OH2 TIP3 5390 3.072 -1.585 -0.169 1.00 0.00 WT1 O ATOM 16610 H1 TIP3 5390 10.722 6.489 1.808 1.00 0.00 WT1 H ATOM 16611 H2 TIP3 5390 4.141 -10.244 -4.241 1.00 0.00 WT1 H ATOM 16612 OH2 TIP3 5392 -7.496 4.767 0.587 1.00 0.00 WT1 O ATOM 16613 H1 TIP3 5392 14.286 22.830 13.974 1.00 0.00 WT1 H ATOM 16614 H2 TIP3 5392 -11.912 5.544 -5.033 1.00 0.00 WT1 H ATOM 16615 OH2 TIP3 5393 -2.248 1.209 -3.994 1.00 0.00 WT1 O ATOM 16616 H1 TIP3 5393 -4.768 2.998 6.505 1.00 0.00 WT1 H ATOM 16617 H2 TIP3 5393 7.299 17.054 7.768 1.00 0.00 WT1 H ATOM 16618 OH2 TIP3 5394 8.842 4.859 0.746 1.00 0.00 WT1 O ATOM 16619 H1 TIP3 5394 21.519 0.419 -0.364 1.00 0.00 WT1 H ATOM 16620 H2 TIP3 5394 -2.988 -1.088 17.186 1.00 0.00 WT1 H ATOM 16621 OH2 TIP3 5395 5.044 2.508 5.497 1.00 0.00 WT1 O ATOM 16622 H1 TIP3 5395 9.652 -6.975 5.828 1.00 0.00 WT1 H ATOM 16623 H2 TIP3 5395 -0.944 3.577 0.987 1.00 0.00 WT1 H ATOM 16624 OH2 TIP3 5396 1.305 -6.816 4.926 1.00 0.00 WT1 O ATOM 16625 H1 TIP3 5396 -0.611 1.139 -1.635 1.00 0.00 WT1 H ATOM 16626 H2 TIP3 5396 -2.891 -3.525 -1.457 1.00 0.00 WT1 H ATOM 16627 OH2 TIP3 5397 3.833 1.234 -6.832 1.00 0.00 WT1 O ATOM 16628 H1 TIP3 5397 -0.350 4.912 -8.415 1.00 0.00 WT1 H ATOM 16629 H2 TIP3 5397 5.930 -4.539 -3.033 1.00 0.00 WT1 H ATOM 16630 OH2 TIP3 5398 -3.981 4.326 -0.259 1.00 0.00 WT1 O ATOM 16631 H1 TIP3 5398 17.560 -2.752 -1.801 1.00 0.00 WT1 H ATOM 16632 H2 TIP3 5398 -25.711 12.360 7.971 1.00 0.00 WT1 H ATOM 16633 OH2 TIP3 5399 1.070 -1.045 -3.993 1.00 0.00 WT1 O ATOM 16634 H1 TIP3 5399 19.308 -7.420 -9.595 1.00 0.00 WT1 H ATOM 16635 H2 TIP3 5399 10.245 9.327 -5.074 1.00 0.00 WT1 H ATOM 16636 OH2 TIP3 5400 -8.177 -5.186 -1.249 1.00 0.00 WT1 O ATOM 16637 H1 TIP3 5400 -9.141 -7.430 -2.250 1.00 0.00 WT1 H ATOM 16638 H2 TIP3 5400 -29.437 -11.982 -21.577 1.00 0.00 WT1 H ATOM 16639 OH2 TIP3 5402 4.468 -4.218 2.059 1.00 0.00 WT1 O ATOM 16640 H1 TIP3 5402 -19.155 -8.343 29.331 1.00 0.00 WT1 H ATOM 16641 H2 TIP3 5402 -9.765 2.059 -21.608 1.00 0.00 WT1 H ATOM 16642 OH2 TIP3 5403 2.858 -5.758 1.005 1.00 0.00 WT1 O ATOM 16643 H1 TIP3 5403 -3.350 -6.083 7.028 1.00 0.00 WT1 H ATOM 16644 H2 TIP3 5403 28.382 -5.758 18.414 1.00 0.00 WT1 H ATOM 16645 OH2 TIP3 5404 0.844 3.001 3.203 1.00 0.00 WT1 O ATOM 16646 H1 TIP3 5404 18.636 2.001 -19.327 1.00 0.00 WT1 H ATOM 16647 H2 TIP3 5404 19.295 -13.627 18.035 1.00 0.00 WT1 H ATOM 16648 OH2 TIP3 5406 4.991 -3.163 -5.129 1.00 0.00 WT1 O ATOM 16649 H1 TIP3 5406 6.195 -5.174 -10.604 1.00 0.00 WT1 H ATOM 16650 H2 TIP3 5406 8.203 -11.077 -29.937 1.00 0.00 WT1 H ATOM 16651 OH2 TIP3 5408 -0.459 -3.901 2.828 1.00 0.00 WT1 O ATOM 16652 H1 TIP3 5408 -7.480 -1.240 1.936 1.00 0.00 WT1 H ATOM 16653 H2 TIP3 5408 -2.547 -1.356 22.138 1.00 0.00 WT1 H ATOM 16654 OH2 TIP3 5410 -1.235 0.945 2.057 1.00 0.00 WT1 O ATOM 16655 H1 TIP3 5410 4.183 19.941 3.673 1.00 0.00 WT1 H ATOM 16656 H2 TIP3 5410 -14.635 -9.166 14.117 1.00 0.00 WT1 H ATOM 16657 OH2 TIP3 5411 0.372 0.261 -6.219 1.00 0.00 WT1 O ATOM 16658 H1 TIP3 5411 0.160 6.604 -3.253 1.00 0.00 WT1 H ATOM 16659 H2 TIP3 5411 -4.452 -14.347 3.541 1.00 0.00 WT1 H ATOM 16660 OH2 TIP3 5412 -0.979 -7.228 -1.977 1.00 0.00 WT1 O ATOM 16661 H1 TIP3 5412 -15.687 -2.780 4.673 1.00 0.00 WT1 H ATOM 16662 H2 TIP3 5412 0.824 -23.234 -4.573 1.00 0.00 WT1 H ATOM 16663 OH2 TIP3 5413 -1.666 1.879 -2.636 1.00 0.00 WT1 O ATOM 16664 H1 TIP3 5413 3.516 -4.942 2.030 1.00 0.00 WT1 H ATOM 16665 H2 TIP3 5413 3.036 -6.878 -8.814 1.00 0.00 WT1 H ATOM 16666 OH2 TIP3 5414 -8.182 -1.190 3.555 1.00 0.00 WT1 O ATOM 16667 H1 TIP3 5414 12.126 3.439 8.111 1.00 0.00 WT1 H ATOM 16668 H2 TIP3 5414 7.537 -7.141 11.526 1.00 0.00 WT1 H ATOM 16669 OH2 TIP3 5415 1.950 5.400 -5.061 1.00 0.00 WT1 O ATOM 16670 H1 TIP3 5415 -4.522 8.792 -10.108 1.00 0.00 WT1 H ATOM 16671 H2 TIP3 5415 19.448 2.640 -3.831 1.00 0.00 WT1 H ATOM 16672 OH2 TIP3 5416 -3.928 1.448 0.052 1.00 0.00 WT1 O ATOM 16673 H1 TIP3 5416 13.228 -10.194 0.338 1.00 0.00 WT1 H ATOM 16674 H2 TIP3 5416 11.568 5.308 6.492 1.00 0.00 WT1 H ATOM 16675 OH2 TIP3 5417 3.992 -0.485 -2.410 1.00 0.00 WT1 O ATOM 16676 H1 TIP3 5417 5.400 -10.904 8.860 1.00 0.00 WT1 H ATOM 16677 H2 TIP3 5417 -5.198 -2.688 -9.495 1.00 0.00 WT1 H ATOM 16678 OH2 TIP3 5418 2.749 2.178 -1.830 1.00 0.00 WT1 O ATOM 16679 H1 TIP3 5418 -23.610 -5.461 20.767 1.00 0.00 WT1 H ATOM 16680 H2 TIP3 5418 27.120 -9.185 -5.634 1.00 0.00 WT1 H ATOM 16681 OH2 TIP3 5419 7.786 1.115 -3.793 1.00 0.00 WT1 O ATOM 16682 H1 TIP3 5419 3.503 12.024 -4.253 1.00 0.00 WT1 H ATOM 16683 H2 TIP3 5419 1.478 -8.582 0.985 1.00 0.00 WT1 H ATOM 16684 OH2 TIP3 5420 9.037 -3.991 -3.823 1.00 0.00 WT1 O ATOM 16685 H1 TIP3 5420 20.764 -3.367 -2.999 1.00 0.00 WT1 H ATOM 16686 H2 TIP3 5420 12.669 8.370 9.202 1.00 0.00 WT1 H ATOM 16687 OH2 TIP3 5421 9.568 -3.039 -1.658 1.00 0.00 WT1 O ATOM 16688 H1 TIP3 5421 12.663 -7.760 -4.919 1.00 0.00 WT1 H ATOM 16689 H2 TIP3 5421 -13.518 25.291 4.176 1.00 0.00 WT1 H ATOM 16690 OH2 TIP3 5422 -0.688 4.585 2.301 1.00 0.00 WT1 O ATOM 16691 H1 TIP3 5422 4.612 1.713 -0.680 1.00 0.00 WT1 H ATOM 16692 H2 TIP3 5422 -4.767 2.954 0.132 1.00 0.00 WT1 H ATOM 16693 OH2 TIP3 5424 7.509 -0.370 2.140 1.00 0.00 WT1 O ATOM 16694 H1 TIP3 5424 4.498 0.737 -8.745 1.00 0.00 WT1 H ATOM 16695 H2 TIP3 5424 4.206 12.232 5.832 1.00 0.00 WT1 H ATOM 16696 OH2 TIP3 5425 1.576 0.756 3.029 1.00 0.00 WT1 O ATOM 16697 H1 TIP3 5425 -0.251 22.827 -11.328 1.00 0.00 WT1 H ATOM 16698 H2 TIP3 5425 6.852 21.852 0.331 1.00 0.00 WT1 H ATOM 16699 OH2 TIP3 5426 6.474 -0.494 2.647 1.00 0.00 WT1 O ATOM 16700 H1 TIP3 5426 4.670 -2.050 -2.012 1.00 0.00 WT1 H ATOM 16701 H2 TIP3 5426 12.744 -4.893 -7.128 1.00 0.00 WT1 H ATOM 16702 OH2 TIP3 5427 -2.462 0.838 -3.629 1.00 0.00 WT1 O ATOM 16703 H1 TIP3 5427 4.559 -13.923 3.743 1.00 0.00 WT1 H ATOM 16704 H2 TIP3 5427 23.560 12.731 2.133 1.00 0.00 WT1 H ATOM 16705 OH2 TIP3 5428 8.056 -3.204 -1.773 1.00 0.00 WT1 O ATOM 16706 H1 TIP3 5428 -3.127 -16.081 33.206 1.00 0.00 WT1 H ATOM 16707 H2 TIP3 5428 14.060 19.532 6.088 1.00 0.00 WT1 H ATOM 16708 OH2 TIP3 5429 3.503 8.806 -3.448 1.00 0.00 WT1 O ATOM 16709 H1 TIP3 5429 -1.276 17.239 -1.900 1.00 0.00 WT1 H ATOM 16710 H2 TIP3 5429 17.463 -21.150 -7.168 1.00 0.00 WT1 H ATOM 16711 OH2 TIP3 5430 -1.396 7.652 -0.756 1.00 0.00 WT1 O ATOM 16712 H1 TIP3 5430 1.688 6.320 0.485 1.00 0.00 WT1 H ATOM 16713 H2 TIP3 5430 -8.162 6.811 0.401 1.00 0.00 WT1 H ATOM 16714 OH2 TIP3 5431 -2.720 -8.739 1.829 1.00 0.00 WT1 O ATOM 16715 H1 TIP3 5431 3.017 -0.470 -0.287 1.00 0.00 WT1 H ATOM 16716 H2 TIP3 5431 -3.909 -15.202 1.998 1.00 0.00 WT1 H ATOM 16717 OH2 TIP3 5432 -3.507 6.656 -0.288 1.00 0.00 WT1 O ATOM 16718 H1 TIP3 5432 -5.604 1.293 -3.464 1.00 0.00 WT1 H ATOM 16719 H2 TIP3 5432 13.025 4.423 -8.554 1.00 0.00 WT1 H ATOM 16720 OH2 TIP3 5433 7.957 0.437 -3.801 1.00 0.00 WT1 O ATOM 16721 H1 TIP3 5433 18.902 23.587 8.880 1.00 0.00 WT1 H ATOM 16722 H2 TIP3 5433 -16.083 1.476 -20.777 1.00 0.00 WT1 H ATOM 16723 OH2 TIP3 5434 0.462 2.359 -9.265 1.00 0.00 WT1 O ATOM 16724 H1 TIP3 5434 -1.017 2.269 -5.914 1.00 0.00 WT1 H ATOM 16725 H2 TIP3 5434 -9.423 3.282 10.807 1.00 0.00 WT1 H ATOM 16726 OH2 TIP3 5435 -1.009 -0.982 2.460 1.00 0.00 WT1 O ATOM 16727 H1 TIP3 5435 -5.529 -2.235 4.628 1.00 0.00 WT1 H ATOM 16728 H2 TIP3 5435 8.146 -0.131 -7.399 1.00 0.00 WT1 H ATOM 16729 OH2 TIP3 5436 -5.401 -2.685 -3.841 1.00 0.00 WT1 O ATOM 16730 H1 TIP3 5436 -18.964 -14.990 -15.569 1.00 0.00 WT1 H ATOM 16731 H2 TIP3 5436 1.750 12.585 -18.372 1.00 0.00 WT1 H ATOM 16732 OH2 TIP3 5437 1.532 -0.864 -2.941 1.00 0.00 WT1 O ATOM 16733 H1 TIP3 5437 0.526 -3.067 0.558 1.00 0.00 WT1 H ATOM 16734 H2 TIP3 5437 -5.002 0.004 -4.527 1.00 0.00 WT1 H ATOM 16735 OH2 TIP3 5438 0.218 -1.045 9.295 1.00 0.00 WT1 O ATOM 16736 H1 TIP3 5438 -12.565 -6.157 15.724 1.00 0.00 WT1 H ATOM 16737 H2 TIP3 5438 2.250 -9.881 2.723 1.00 0.00 WT1 H ATOM 16738 OH2 TIP3 5439 0.737 -4.009 5.163 1.00 0.00 WT1 O ATOM 16739 H1 TIP3 5439 -10.905 4.191 21.717 1.00 0.00 WT1 H ATOM 16740 H2 TIP3 5439 -3.426 -1.256 11.164 1.00 0.00 WT1 H ATOM 16741 OH2 TIP3 5440 1.104 -0.347 2.397 1.00 0.00 WT1 O ATOM 16742 H1 TIP3 5440 -4.418 16.309 12.139 1.00 0.00 WT1 H ATOM 16743 H2 TIP3 5440 1.450 -0.110 4.314 1.00 0.00 WT1 H ATOM 16744 OH2 TIP3 5441 -5.436 -2.735 -0.863 1.00 0.00 WT1 O ATOM 16745 H1 TIP3 5441 0.907 -5.414 -1.361 1.00 0.00 WT1 H ATOM 16746 H2 TIP3 5441 -9.864 -4.556 -5.493 1.00 0.00 WT1 H ATOM 16747 OH2 TIP3 5442 -7.759 -2.159 0.148 1.00 0.00 WT1 O ATOM 16748 H1 TIP3 5442 12.272 17.905 -28.833 1.00 0.00 WT1 H ATOM 16749 H2 TIP3 5442 13.186 -10.534 -4.406 1.00 0.00 WT1 H ATOM 16750 OH2 TIP3 5444 9.022 -1.640 2.839 1.00 0.00 WT1 O ATOM 16751 H1 TIP3 5444 10.660 4.180 6.806 1.00 0.00 WT1 H ATOM 16752 H2 TIP3 5444 8.494 0.418 2.347 1.00 0.00 WT1 H ATOM 16753 OH2 TIP3 5445 4.810 -0.217 6.456 1.00 0.00 WT1 O ATOM 16754 H1 TIP3 5445 -3.065 10.841 8.759 1.00 0.00 WT1 H ATOM 16755 H2 TIP3 5445 -26.793 10.795 -4.842 1.00 0.00 WT1 H ATOM 16756 OH2 TIP3 5446 1.647 -5.597 0.465 1.00 0.00 WT1 O ATOM 16757 H1 TIP3 5446 -22.652 19.330 -12.995 1.00 0.00 WT1 H ATOM 16758 H2 TIP3 5446 -6.048 27.514 -20.788 1.00 0.00 WT1 H ATOM 16759 OH2 TIP3 5447 -6.264 2.153 -2.658 1.00 0.00 WT1 O ATOM 16760 H1 TIP3 5447 0.932 0.795 -5.343 1.00 0.00 WT1 H ATOM 16761 H2 TIP3 5447 -5.454 7.058 3.884 1.00 0.00 WT1 H ATOM 16762 OH2 TIP3 5448 7.390 -5.942 -1.053 1.00 0.00 WT1 O ATOM 16763 H1 TIP3 5448 11.767 -3.998 4.914 1.00 0.00 WT1 H ATOM 16764 H2 TIP3 5448 12.912 -4.964 -1.442 1.00 0.00 WT1 H ATOM 16765 OH2 TIP3 5449 4.016 -3.000 -4.869 1.00 0.00 WT1 O ATOM 16766 H1 TIP3 5449 4.610 -12.186 -13.317 1.00 0.00 WT1 H ATOM 16767 H2 TIP3 5449 3.185 26.198 11.304 1.00 0.00 WT1 H ATOM 16768 OH2 TIP3 5450 -3.665 -3.034 -2.404 1.00 0.00 WT1 O ATOM 16769 H1 TIP3 5450 -3.369 -1.599 -3.845 1.00 0.00 WT1 H ATOM 16770 H2 TIP3 5450 1.965 -6.931 -5.970 1.00 0.00 WT1 H ATOM 16771 OH2 TIP3 5451 -6.352 -1.867 4.093 1.00 0.00 WT1 O ATOM 16772 H1 TIP3 5451 3.331 6.938 5.440 1.00 0.00 WT1 H ATOM 16773 H2 TIP3 5451 -7.819 -7.599 7.547 1.00 0.00 WT1 H ATOM 16774 OH2 TIP3 5452 -2.952 -3.401 2.164 1.00 0.00 WT1 O ATOM 16775 H1 TIP3 5452 5.102 2.877 -2.391 1.00 0.00 WT1 H ATOM 16776 H2 TIP3 5452 -0.419 -2.151 4.690 1.00 0.00 WT1 H ATOM 16777 OH2 TIP3 5454 -4.738 2.984 2.869 1.00 0.00 WT1 O ATOM 16778 H1 TIP3 5454 -15.869 13.849 6.728 1.00 0.00 WT1 H ATOM 16779 H2 TIP3 5454 -8.899 16.265 -5.587 1.00 0.00 WT1 H ATOM 16780 OH2 TIP3 5456 -3.882 3.116 -5.539 1.00 0.00 WT1 O ATOM 16781 H1 TIP3 5456 0.012 -21.140 -11.040 1.00 0.00 WT1 H ATOM 16782 H2 TIP3 5456 -8.801 -4.379 -4.581 1.00 0.00 WT1 H ATOM 16783 OH2 TIP3 5458 -2.073 3.789 -5.526 1.00 0.00 WT1 O ATOM 16784 H1 TIP3 5458 0.522 -9.723 -11.079 1.00 0.00 WT1 H ATOM 16785 H2 TIP3 5458 7.809 17.187 -27.240 1.00 0.00 WT1 H ATOM 16786 OH2 TIP3 5459 3.935 -3.637 1.474 1.00 0.00 WT1 O ATOM 16787 H1 TIP3 5459 2.423 13.311 -2.138 1.00 0.00 WT1 H ATOM 16788 H2 TIP3 5459 7.150 -8.209 -15.885 1.00 0.00 WT1 H ATOM 16789 OH2 TIP3 5460 -5.345 -3.035 2.259 1.00 0.00 WT1 O ATOM 16790 H1 TIP3 5460 13.568 15.651 -11.931 1.00 0.00 WT1 H ATOM 16791 H2 TIP3 5460 17.201 31.752 -3.140 1.00 0.00 WT1 H ATOM 16792 OH2 TIP3 5461 -4.193 -0.488 6.107 1.00 0.00 WT1 O ATOM 16793 H1 TIP3 5461 14.742 13.465 12.149 1.00 0.00 WT1 H ATOM 16794 H2 TIP3 5461 -4.970 5.723 15.952 1.00 0.00 WT1 H ATOM 16795 OH2 TIP3 5462 4.604 2.547 -0.089 1.00 0.00 WT1 O ATOM 16796 H1 TIP3 5462 3.196 2.547 -25.613 1.00 0.00 WT1 H ATOM 16797 H2 TIP3 5462 -16.633 5.804 6.539 1.00 0.00 WT1 H ATOM 16798 OH2 TIP3 5463 2.788 0.798 0.180 1.00 0.00 WT1 O ATOM 16799 H1 TIP3 5463 -6.432 6.843 10.327 1.00 0.00 WT1 H ATOM 16800 H2 TIP3 5463 -2.258 -7.181 4.743 1.00 0.00 WT1 H ATOM 16801 OH2 TIP3 5464 5.345 2.548 2.147 1.00 0.00 WT1 O ATOM 16802 H1 TIP3 5464 8.747 9.717 -31.935 1.00 0.00 WT1 H ATOM 16803 H2 TIP3 5464 4.524 4.849 -4.712 1.00 0.00 WT1 H ATOM 16804 OH2 TIP3 5465 -7.319 -4.071 -1.692 1.00 0.00 WT1 O ATOM 16805 H1 TIP3 5465 1.591 -9.711 -14.156 1.00 0.00 WT1 H ATOM 16806 H2 TIP3 5465 -13.308 -4.390 -5.478 1.00 0.00 WT1 H ATOM 16807 OH2 TIP3 5466 -0.263 0.026 -0.219 1.00 0.00 WT1 O ATOM 16808 H1 TIP3 5466 3.917 20.727 -7.423 1.00 0.00 WT1 H ATOM 16809 H2 TIP3 5466 -6.593 7.599 -6.750 1.00 0.00 WT1 H ATOM 16810 OH2 TIP3 5467 4.660 -1.974 7.621 1.00 0.00 WT1 O ATOM 16811 H1 TIP3 5467 12.928 -9.913 -3.333 1.00 0.00 WT1 H ATOM 16812 H2 TIP3 5467 -6.002 -3.915 7.177 1.00 0.00 WT1 H ATOM 16813 OH2 TIP3 5468 1.642 1.346 0.855 1.00 0.00 WT1 O ATOM 16814 H1 TIP3 5468 15.017 5.353 -7.203 1.00 0.00 WT1 H ATOM 16815 H2 TIP3 5468 2.358 8.016 9.323 1.00 0.00 WT1 H ATOM 16816 OH2 TIP3 5469 -0.897 0.048 0.033 1.00 0.00 WT1 O ATOM 16817 H1 TIP3 5469 16.299 -0.859 9.034 1.00 0.00 WT1 H ATOM 16818 H2 TIP3 5469 -3.969 12.783 -2.563 1.00 0.00 WT1 H ATOM 16819 OH2 TIP3 5471 -2.860 5.671 -1.560 1.00 0.00 WT1 O ATOM 16820 H1 TIP3 5471 -0.234 12.988 3.530 1.00 0.00 WT1 H ATOM 16821 H2 TIP3 5471 -13.031 2.899 -3.495 1.00 0.00 WT1 H ATOM 16822 OH2 TIP3 5474 1.440 -0.561 -0.804 1.00 0.00 WT1 O ATOM 16823 H1 TIP3 5474 -10.199 4.828 2.621 1.00 0.00 WT1 H ATOM 16824 H2 TIP3 5474 6.724 18.456 4.470 1.00 0.00 WT1 H ATOM 16825 OH2 TIP3 5476 0.657 0.800 -1.123 1.00 0.00 WT1 O ATOM 16826 H1 TIP3 5476 4.364 3.726 22.080 1.00 0.00 WT1 H ATOM 16827 H2 TIP3 5476 15.248 -6.325 -11.583 1.00 0.00 WT1 H ATOM 16828 OH2 TIP3 5477 -0.023 3.522 -1.296 1.00 0.00 WT1 O ATOM 16829 H1 TIP3 5477 20.560 2.941 -12.532 1.00 0.00 WT1 H ATOM 16830 H2 TIP3 5477 -7.492 -0.599 4.181 1.00 0.00 WT1 H ATOM 16831 OH2 TIP3 5478 -3.071 4.184 2.050 1.00 0.00 WT1 O ATOM 16832 H1 TIP3 5478 -14.083 -4.982 2.107 1.00 0.00 WT1 H ATOM 16833 H2 TIP3 5478 -16.912 -4.146 -10.535 1.00 0.00 WT1 H ATOM 16834 OH2 TIP3 5479 -2.666 -4.315 -0.293 1.00 0.00 WT1 O ATOM 16835 H1 TIP3 5479 22.082 -0.445 -5.945 1.00 0.00 WT1 H ATOM 16836 H2 TIP3 5479 -16.752 -16.150 -9.058 1.00 0.00 WT1 H ATOM 16837 OH2 TIP3 5480 -3.327 4.865 7.228 1.00 0.00 WT1 O ATOM 16838 H1 TIP3 5480 0.171 6.540 12.514 1.00 0.00 WT1 H ATOM 16839 H2 TIP3 5480 1.476 12.785 15.547 1.00 0.00 WT1 H ATOM 16840 OH2 TIP3 5481 -3.073 0.084 1.165 1.00 0.00 WT1 O ATOM 16841 H1 TIP3 5481 4.241 -7.580 11.160 1.00 0.00 WT1 H ATOM 16842 H2 TIP3 5481 4.001 16.417 0.865 1.00 0.00 WT1 H ATOM 16843 OH2 TIP3 5482 2.709 4.494 0.587 1.00 0.00 WT1 O ATOM 16844 H1 TIP3 5482 16.063 -4.772 22.600 1.00 0.00 WT1 H ATOM 16845 H2 TIP3 5482 0.398 6.449 -5.112 1.00 0.00 WT1 H ATOM 16846 OH2 TIP3 5483 -0.082 -1.601 -1.758 1.00 0.00 WT1 O ATOM 16847 H1 TIP3 5483 -11.972 -21.570 18.460 1.00 0.00 WT1 H ATOM 16848 H2 TIP3 5483 12.204 -11.519 -3.765 1.00 0.00 WT1 H ATOM 16849 OH2 TIP3 5484 -3.039 -0.805 -0.880 1.00 0.00 WT1 O ATOM 16850 H1 TIP3 5484 -12.615 -4.511 9.180 1.00 0.00 WT1 H ATOM 16851 H2 TIP3 5484 4.033 -16.433 -4.376 1.00 0.00 WT1 H ATOM 16852 OH2 TIP3 5485 -0.950 -1.805 -2.870 1.00 0.00 WT1 O ATOM 16853 H1 TIP3 5485 -12.631 -6.058 0.498 1.00 0.00 WT1 H ATOM 16854 H2 TIP3 5485 -1.646 -5.432 0.363 1.00 0.00 WT1 H ATOM 16855 OH2 TIP3 5486 4.226 -1.417 3.648 1.00 0.00 WT1 O ATOM 16856 H1 TIP3 5486 5.013 11.865 21.027 1.00 0.00 WT1 H ATOM 16857 H2 TIP3 5486 6.975 -18.590 -11.205 1.00 0.00 WT1 H ATOM 16858 OH2 TIP3 5487 -3.988 2.107 -1.369 1.00 0.00 WT1 O ATOM 16859 H1 TIP3 5487 4.679 -5.359 -4.715 1.00 0.00 WT1 H ATOM 16860 H2 TIP3 5487 -7.733 2.573 -1.972 1.00 0.00 WT1 H ATOM 16861 OH2 TIP3 5488 3.374 1.046 -3.993 1.00 0.00 WT1 O ATOM 16862 H1 TIP3 5488 11.440 2.538 -6.429 1.00 0.00 WT1 H ATOM 16863 H2 TIP3 5488 4.771 3.486 5.059 1.00 0.00 WT1 H ATOM 16864 OH2 TIP3 5489 7.320 0.484 6.002 1.00 0.00 WT1 O ATOM 16865 H1 TIP3 5489 -1.736 6.747 -3.370 1.00 0.00 WT1 H ATOM 16866 H2 TIP3 5489 10.218 -11.450 1.466 1.00 0.00 WT1 H ATOM 16867 OH2 TIP3 5491 -0.430 -0.774 4.362 1.00 0.00 WT1 O ATOM 16868 H1 TIP3 5491 -0.275 2.220 27.831 1.00 0.00 WT1 H ATOM 16869 H2 TIP3 5491 -6.851 -10.743 -1.235 1.00 0.00 WT1 H ATOM 16870 OH2 TIP3 5492 0.737 -2.564 -2.624 1.00 0.00 WT1 O ATOM 16871 H1 TIP3 5492 21.172 -35.435 -2.823 1.00 0.00 WT1 H ATOM 16872 H2 TIP3 5492 -19.371 -63.206 13.444 1.00 0.00 WT1 H ATOM 16873 OH2 TIP3 5493 -2.937 -4.308 3.684 1.00 0.00 WT1 O ATOM 16874 H1 TIP3 5493 -12.943 3.262 -11.191 1.00 0.00 WT1 H ATOM 16875 H2 TIP3 5493 -10.183 0.660 -6.679 1.00 0.00 WT1 H ATOM 16876 OH2 TIP3 5494 -6.151 0.959 2.853 1.00 0.00 WT1 O ATOM 16877 H1 TIP3 5494 1.153 -12.654 -16.370 1.00 0.00 WT1 H ATOM 16878 H2 TIP3 5494 -8.932 8.022 3.717 1.00 0.00 WT1 H ATOM 16879 OH2 TIP3 5495 -8.932 2.577 -5.541 1.00 0.00 WT1 O ATOM 16880 H1 TIP3 5495 -5.234 1.784 8.196 1.00 0.00 WT1 H ATOM 16881 H2 TIP3 5495 -13.553 -24.306 12.570 1.00 0.00 WT1 H ATOM 16882 OH2 TIP3 5496 -6.307 1.478 1.754 1.00 0.00 WT1 O ATOM 16883 H1 TIP3 5496 -25.482 1.549 -2.920 1.00 0.00 WT1 H ATOM 16884 H2 TIP3 5496 -7.472 3.702 23.391 1.00 0.00 WT1 H ATOM 16885 OH2 TIP3 5497 5.759 2.627 0.165 1.00 0.00 WT1 O ATOM 16886 H1 TIP3 5497 9.221 7.724 6.232 1.00 0.00 WT1 H ATOM 16887 H2 TIP3 5497 3.912 7.403 -4.732 1.00 0.00 WT1 H ATOM 16888 OH2 TIP3 5498 0.928 -3.563 -3.590 1.00 0.00 WT1 O ATOM 16889 H1 TIP3 5498 12.837 3.891 -8.913 1.00 0.00 WT1 H ATOM 16890 H2 TIP3 5498 7.483 9.274 1.871 1.00 0.00 WT1 H ATOM 16891 OH2 TIP3 5500 10.758 0.409 -0.426 1.00 0.00 WT1 O ATOM 16892 H1 TIP3 5500 -0.911 23.504 -9.115 1.00 0.00 WT1 H ATOM 16893 H2 TIP3 5500 13.999 -13.011 -20.187 1.00 0.00 WT1 H ATOM 16894 OH2 TIP3 5503 -1.389 1.905 -1.335 1.00 0.00 WT1 O ATOM 16895 H1 TIP3 5503 20.056 5.951 8.289 1.00 0.00 WT1 H ATOM 16896 H2 TIP3 5503 -22.177 4.840 -14.932 1.00 0.00 WT1 H ATOM 16897 OH2 TIP3 5504 0.835 -0.494 -5.924 1.00 0.00 WT1 O ATOM 16898 H1 TIP3 5504 -4.178 2.920 -26.400 1.00 0.00 WT1 H ATOM 16899 H2 TIP3 5504 7.125 -9.948 -21.552 1.00 0.00 WT1 H ATOM 16900 OH2 TIP3 5505 1.805 0.393 -1.161 1.00 0.00 WT1 O ATOM 16901 H1 TIP3 5505 -6.624 -20.846 -12.985 1.00 0.00 WT1 H ATOM 16902 H2 TIP3 5505 -17.065 7.665 0.385 1.00 0.00 WT1 H ATOM 16903 OH2 TIP3 5506 -4.862 5.344 5.946 1.00 0.00 WT1 O ATOM 16904 H1 TIP3 5506 -5.464 -9.306 3.989 1.00 0.00 WT1 H ATOM 16905 H2 TIP3 5506 -0.311 12.864 -1.323 1.00 0.00 WT1 H ATOM 16906 OH2 TIP3 5507 -3.925 -3.305 0.595 1.00 0.00 WT1 O ATOM 16907 H1 TIP3 5507 -4.184 -9.463 3.015 1.00 0.00 WT1 H ATOM 16908 H2 TIP3 5507 -7.039 4.174 -7.943 1.00 0.00 WT1 H ATOM 16909 OH2 TIP3 5510 1.091 3.571 1.120 1.00 0.00 WT1 O ATOM 16910 H1 TIP3 5510 5.461 0.880 -0.309 1.00 0.00 WT1 H ATOM 16911 H2 TIP3 5510 11.573 7.664 11.393 1.00 0.00 WT1 H ATOM 16912 OH2 TIP3 5511 -5.602 -3.039 -3.174 1.00 0.00 WT1 O ATOM 16913 H1 TIP3 5511 -5.742 -11.400 10.372 1.00 0.00 WT1 H ATOM 16914 H2 TIP3 5511 6.821 2.955 -9.070 1.00 0.00 WT1 H ATOM 16915 OH2 TIP3 5512 3.336 -6.640 1.872 1.00 0.00 WT1 O ATOM 16916 H1 TIP3 5512 1.087 -3.797 -2.459 1.00 0.00 WT1 H ATOM 16917 H2 TIP3 5512 0.978 -46.718 27.288 1.00 0.00 WT1 H ATOM 16918 OH2 TIP3 5513 -2.445 -0.490 -0.505 1.00 0.00 WT1 O ATOM 16919 H1 TIP3 5513 14.052 5.366 6.950 1.00 0.00 WT1 H ATOM 16920 H2 TIP3 5513 26.311 0.545 -3.676 1.00 0.00 WT1 H ATOM 16921 OH2 TIP3 5515 2.463 5.144 -4.243 1.00 0.00 WT1 O ATOM 16922 H1 TIP3 5515 1.116 10.834 -13.292 1.00 0.00 WT1 H ATOM 16923 H2 TIP3 5515 -3.995 6.498 -3.349 1.00 0.00 WT1 H ATOM 16924 OH2 TIP3 5516 2.973 4.988 4.080 1.00 0.00 WT1 O ATOM 16925 H1 TIP3 5516 16.144 -0.803 23.681 1.00 0.00 WT1 H ATOM 16926 H2 TIP3 5516 22.413 12.785 14.158 1.00 0.00 WT1 H ATOM 16927 OH2 TIP3 5517 -1.726 -0.409 -0.870 1.00 0.00 WT1 O ATOM 16928 H1 TIP3 5517 -4.921 4.262 -11.226 1.00 0.00 WT1 H ATOM 16929 H2 TIP3 5517 -15.897 -20.940 2.883 1.00 0.00 WT1 H ATOM 16930 OH2 TIP3 5519 2.186 -0.589 -0.482 1.00 0.00 WT1 O ATOM 16931 H1 TIP3 5519 3.828 12.239 19.270 1.00 0.00 WT1 H ATOM 16932 H2 TIP3 5519 -0.293 2.774 6.521 1.00 0.00 WT1 H ATOM 16933 OH2 TIP3 5521 7.474 -2.552 1.485 1.00 0.00 WT1 O ATOM 16934 H1 TIP3 5521 -13.539 -13.576 -2.737 1.00 0.00 WT1 H ATOM 16935 H2 TIP3 5521 2.696 2.132 15.147 1.00 0.00 WT1 H ATOM 16936 OH2 TIP3 5522 2.306 2.540 -5.318 1.00 0.00 WT1 O ATOM 16937 H1 TIP3 5522 40.859 3.422 -19.879 1.00 0.00 WT1 H ATOM 16938 H2 TIP3 5522 -14.970 -14.863 8.180 1.00 0.00 WT1 H ATOM 16939 OH2 TIP3 5523 0.319 -1.205 3.004 1.00 0.00 WT1 O ATOM 16940 H1 TIP3 5523 -1.829 -5.099 6.622 1.00 0.00 WT1 H ATOM 16941 H2 TIP3 5523 -2.149 -3.337 -5.552 1.00 0.00 WT1 H ATOM 16942 OH2 TIP3 5524 2.979 0.669 -2.122 1.00 0.00 WT1 O ATOM 16943 H1 TIP3 5524 -4.837 -15.688 26.557 1.00 0.00 WT1 H ATOM 16944 H2 TIP3 5524 8.054 7.039 5.962 1.00 0.00 WT1 H ATOM 16945 OH2 TIP3 5525 1.916 -0.139 -1.222 1.00 0.00 WT1 O ATOM 16946 H1 TIP3 5525 -4.990 13.536 2.052 1.00 0.00 WT1 H ATOM 16947 H2 TIP3 5525 5.086 11.449 9.339 1.00 0.00 WT1 H ATOM 16948 OH2 TIP3 5526 2.744 -9.829 -1.795 1.00 0.00 WT1 O ATOM 16949 H1 TIP3 5526 -7.892 -27.136 -13.677 1.00 0.00 WT1 H ATOM 16950 H2 TIP3 5526 -9.736 5.948 -26.990 1.00 0.00 WT1 H ATOM 16951 OH2 TIP3 5527 -2.371 -0.206 4.593 1.00 0.00 WT1 O ATOM 16952 H1 TIP3 5527 -8.564 9.050 8.533 1.00 0.00 WT1 H ATOM 16953 H2 TIP3 5527 15.081 -6.469 -12.052 1.00 0.00 WT1 H ATOM 16954 OH2 TIP3 5528 -9.981 2.323 -5.503 1.00 0.00 WT1 O ATOM 16955 H1 TIP3 5528 -4.638 -7.113 -4.341 1.00 0.00 WT1 H ATOM 16956 H2 TIP3 5528 -37.247 -5.348 -0.013 1.00 0.00 WT1 H ATOM 16957 OH2 TIP3 5529 5.249 -5.751 0.152 1.00 0.00 WT1 O ATOM 16958 H1 TIP3 5529 -26.552 30.285 8.194 1.00 0.00 WT1 H ATOM 16959 H2 TIP3 5529 34.834 3.276 3.916 1.00 0.00 WT1 H ATOM 16960 OH2 TIP3 5530 -5.153 1.193 2.707 1.00 0.00 WT1 O ATOM 16961 H1 TIP3 5530 -3.790 3.227 -2.416 1.00 0.00 WT1 H ATOM 16962 H2 TIP3 5530 4.883 35.033 -9.083 1.00 0.00 WT1 H ATOM 16963 OH2 TIP3 5531 5.681 6.606 -5.509 1.00 0.00 WT1 O ATOM 16964 H1 TIP3 5531 -0.812 -1.223 5.800 1.00 0.00 WT1 H ATOM 16965 H2 TIP3 5531 12.825 16.876 1.223 1.00 0.00 WT1 H ATOM 16966 OH2 TIP3 5532 2.072 -4.242 2.265 1.00 0.00 WT1 O ATOM 16967 H1 TIP3 5532 14.872 -9.603 -1.425 1.00 0.00 WT1 H ATOM 16968 H2 TIP3 5532 14.270 -8.655 -3.805 1.00 0.00 WT1 H ATOM 16969 OH2 TIP3 5533 -4.410 -5.347 1.566 1.00 0.00 WT1 O ATOM 16970 H1 TIP3 5533 -10.435 1.914 0.381 1.00 0.00 WT1 H ATOM 16971 H2 TIP3 5533 -3.833 5.014 1.691 1.00 0.00 WT1 H ATOM 16972 OH2 TIP3 5534 -4.152 -0.797 -0.642 1.00 0.00 WT1 O ATOM 16973 H1 TIP3 5534 -9.707 -0.090 -1.147 1.00 0.00 WT1 H ATOM 16974 H2 TIP3 5534 11.945 6.511 -3.186 1.00 0.00 WT1 H ATOM 16975 OH2 TIP3 5535 1.740 -0.334 4.897 1.00 0.00 WT1 O ATOM 16976 H1 TIP3 5535 -25.078 -10.577 -2.051 1.00 0.00 WT1 H ATOM 16977 H2 TIP3 5535 2.389 25.221 -9.730 1.00 0.00 WT1 H ATOM 16978 OH2 TIP3 5536 5.721 -3.466 -0.948 1.00 0.00 WT1 O ATOM 16979 H1 TIP3 5536 21.903 -5.889 -23.165 1.00 0.00 WT1 H ATOM 16980 H2 TIP3 5536 21.207 3.381 -1.013 1.00 0.00 WT1 H ATOM 16981 OH2 TIP3 5538 3.943 -7.643 -3.143 1.00 0.00 WT1 O ATOM 16982 H1 TIP3 5538 4.574 -14.671 -10.638 1.00 0.00 WT1 H ATOM 16983 H2 TIP3 5538 -6.585 5.933 20.460 1.00 0.00 WT1 H ATOM 16984 OH2 TIP3 5543 -3.654 10.724 -3.050 1.00 0.00 WT1 O ATOM 16985 H1 TIP3 5543 31.036 -2.169 0.566 1.00 0.00 WT1 H ATOM 16986 H2 TIP3 5543 3.186 8.966 -6.146 1.00 0.00 WT1 H ATOM 16987 OH2 TIP3 5544 -7.248 1.042 -4.325 1.00 0.00 WT1 O ATOM 16988 H1 TIP3 5544 -7.808 17.874 6.288 1.00 0.00 WT1 H ATOM 16989 H2 TIP3 5544 -13.387 2.545 -0.188 1.00 0.00 WT1 H ATOM 16990 OH2 TIP3 5545 0.360 6.006 1.777 1.00 0.00 WT1 O ATOM 16991 H1 TIP3 5545 6.299 8.028 -0.012 1.00 0.00 WT1 H ATOM 16992 H2 TIP3 5545 -20.371 8.203 17.180 1.00 0.00 WT1 H ATOM 16993 OH2 TIP3 5547 4.229 6.343 0.477 1.00 0.00 WT1 O ATOM 16994 H1 TIP3 5547 16.055 15.894 -7.184 1.00 0.00 WT1 H ATOM 16995 H2 TIP3 5547 1.921 8.479 -1.116 1.00 0.00 WT1 H ATOM 16996 OH2 TIP3 5548 -7.287 -10.503 0.727 1.00 0.00 WT1 O ATOM 16997 H1 TIP3 5548 -11.504 1.278 3.709 1.00 0.00 WT1 H ATOM 16998 H2 TIP3 5548 -3.061 -21.925 -0.297 1.00 0.00 WT1 H ATOM 16999 OH2 TIP3 5549 -0.629 -8.621 1.491 1.00 0.00 WT1 O ATOM 17000 H1 TIP3 5549 2.917 -9.787 -8.224 1.00 0.00 WT1 H ATOM 17001 H2 TIP3 5549 0.445 -8.376 -4.767 1.00 0.00 WT1 H ATOM 17002 OH2 TIP3 5550 -1.011 -4.835 1.181 1.00 0.00 WT1 O ATOM 17003 H1 TIP3 5550 -0.004 -2.865 -1.742 1.00 0.00 WT1 H ATOM 17004 H2 TIP3 5550 16.556 0.808 -6.633 1.00 0.00 WT1 H ATOM 17005 OH2 TIP3 5551 5.339 2.408 -2.519 1.00 0.00 WT1 O ATOM 17006 H1 TIP3 5551 -7.371 6.181 14.911 1.00 0.00 WT1 H ATOM 17007 H2 TIP3 5551 -10.037 12.674 4.876 1.00 0.00 WT1 H ATOM 17008 OH2 TIP3 5552 -3.372 2.541 -0.731 1.00 0.00 WT1 O ATOM 17009 H1 TIP3 5552 -10.332 -0.702 -1.574 1.00 0.00 WT1 H ATOM 17010 H2 TIP3 5552 -4.051 4.049 -6.462 1.00 0.00 WT1 H ATOM 17011 OH2 TIP3 5553 -0.149 1.869 5.047 1.00 0.00 WT1 O ATOM 17012 H1 TIP3 5553 -1.884 1.882 4.234 1.00 0.00 WT1 H ATOM 17013 H2 TIP3 5553 -11.204 -3.708 -1.179 1.00 0.00 WT1 H ATOM 17014 OH2 TIP3 5554 2.142 -3.724 2.980 1.00 0.00 WT1 O ATOM 17015 H1 TIP3 5554 -1.766 0.537 12.541 1.00 0.00 WT1 H ATOM 17016 H2 TIP3 5554 8.432 -0.212 -4.196 1.00 0.00 WT1 H ATOM 17017 OH2 TIP3 5555 1.929 5.808 0.115 1.00 0.00 WT1 O ATOM 17018 H1 TIP3 5555 -6.221 1.018 -7.577 1.00 0.00 WT1 H ATOM 17019 H2 TIP3 5555 6.596 3.174 -3.182 1.00 0.00 WT1 H ATOM 17020 OH2 TIP3 5556 -0.371 3.194 -0.982 1.00 0.00 WT1 O ATOM 17021 H1 TIP3 5556 -0.658 -3.924 -5.466 1.00 0.00 WT1 H ATOM 17022 H2 TIP3 5556 4.778 16.300 -1.286 1.00 0.00 WT1 H ATOM 17023 OH2 TIP3 5558 4.918 -4.591 -1.695 1.00 0.00 WT1 O ATOM 17024 H1 TIP3 5558 -28.003 0.872 14.224 1.00 0.00 WT1 H ATOM 17025 H2 TIP3 5558 -1.535 -16.652 -9.758 1.00 0.00 WT1 H ATOM 17026 OH2 TIP3 5559 -0.354 -3.337 0.470 1.00 0.00 WT1 O ATOM 17027 H1 TIP3 5559 11.484 36.941 37.911 1.00 0.00 WT1 H ATOM 17028 H2 TIP3 5559 24.637 1.830 -0.071 1.00 0.00 WT1 H ATOM 17029 OH2 TIP3 5561 -0.160 -5.103 -5.091 1.00 0.00 WT1 O ATOM 17030 H1 TIP3 5561 0.214 0.716 -10.565 1.00 0.00 WT1 H ATOM 17031 H2 TIP3 5561 -0.085 -5.236 -4.045 1.00 0.00 WT1 H ATOM 17032 OH2 TIP3 5563 -0.744 -6.732 3.417 1.00 0.00 WT1 O ATOM 17033 H1 TIP3 5563 -6.024 -7.911 -14.686 1.00 0.00 WT1 H ATOM 17034 H2 TIP3 5563 3.838 -21.800 15.553 1.00 0.00 WT1 H ATOM 17035 OH2 TIP3 5564 -4.300 5.597 2.675 1.00 0.00 WT1 O ATOM 17036 H1 TIP3 5564 6.376 23.701 15.220 1.00 0.00 WT1 H ATOM 17037 H2 TIP3 5564 -17.771 -10.390 26.700 1.00 0.00 WT1 H ATOM 17038 OH2 TIP3 5565 0.133 -0.900 -3.254 1.00 0.00 WT1 O ATOM 17039 H1 TIP3 5565 -2.039 -4.382 -2.656 1.00 0.00 WT1 H ATOM 17040 H2 TIP3 5565 -1.612 -22.696 2.403 1.00 0.00 WT1 H ATOM 17041 OH2 TIP3 5566 -0.055 -6.063 -7.093 1.00 0.00 WT1 O ATOM 17042 H1 TIP3 5566 5.595 -14.576 -2.577 1.00 0.00 WT1 H ATOM 17043 H2 TIP3 5566 -2.196 -7.414 -4.007 1.00 0.00 WT1 H ATOM 17044 OH2 TIP3 5567 4.834 -0.550 2.671 1.00 0.00 WT1 O ATOM 17045 H1 TIP3 5567 -3.042 6.961 4.652 1.00 0.00 WT1 H ATOM 17046 H2 TIP3 5567 24.779 -19.364 -4.624 1.00 0.00 WT1 H ATOM 17047 OH2 TIP3 5568 5.201 -3.698 1.056 1.00 0.00 WT1 O ATOM 17048 H1 TIP3 5568 -4.693 -6.004 13.255 1.00 0.00 WT1 H ATOM 17049 H2 TIP3 5568 -13.926 31.220 13.921 1.00 0.00 WT1 H ATOM 17050 OH2 TIP3 5569 3.086 1.702 -2.381 1.00 0.00 WT1 O ATOM 17051 H1 TIP3 5569 8.079 4.850 -5.377 1.00 0.00 WT1 H ATOM 17052 H2 TIP3 5569 4.577 -5.107 3.133 1.00 0.00 WT1 H ATOM 17053 OH2 TIP3 5570 -0.078 4.944 8.231 1.00 0.00 WT1 O ATOM 17054 H1 TIP3 5570 -19.793 7.513 9.152 1.00 0.00 WT1 H ATOM 17055 H2 TIP3 5570 22.478 9.807 -2.576 1.00 0.00 WT1 H ATOM 17056 OH2 TIP3 5571 3.449 -6.857 -0.001 1.00 0.00 WT1 O ATOM 17057 H1 TIP3 5571 29.094 8.734 0.332 1.00 0.00 WT1 H ATOM 17058 H2 TIP3 5571 17.604 19.926 11.816 1.00 0.00 WT1 H ATOM 17059 OH2 TIP3 5572 2.627 -5.082 2.326 1.00 0.00 WT1 O ATOM 17060 H1 TIP3 5572 5.503 6.625 4.466 1.00 0.00 WT1 H ATOM 17061 H2 TIP3 5572 -16.374 3.175 6.727 1.00 0.00 WT1 H ATOM 17062 OH2 TIP3 5573 3.873 -11.183 4.269 1.00 0.00 WT1 O ATOM 17063 H1 TIP3 5573 -4.383 19.410 18.853 1.00 0.00 WT1 H ATOM 17064 H2 TIP3 5573 -6.841 -0.138 -18.123 1.00 0.00 WT1 H ATOM 17065 OH2 TIP3 5575 2.119 -0.903 2.841 1.00 0.00 WT1 O ATOM 17066 H1 TIP3 5575 4.536 -4.155 -0.753 1.00 0.00 WT1 H ATOM 17067 H2 TIP3 5575 -10.910 13.031 20.641 1.00 0.00 WT1 H ATOM 17068 OH2 TIP3 5576 -0.215 2.682 -4.996 1.00 0.00 WT1 O ATOM 17069 H1 TIP3 5576 -11.620 -12.944 -15.478 1.00 0.00 WT1 H ATOM 17070 H2 TIP3 5576 -0.616 -9.320 6.986 1.00 0.00 WT1 H ATOM 17071 OH2 TIP3 5577 -0.413 0.420 -2.852 1.00 0.00 WT1 O ATOM 17072 H1 TIP3 5577 5.182 -10.961 -7.144 1.00 0.00 WT1 H ATOM 17073 H2 TIP3 5577 19.174 -9.099 -3.014 1.00 0.00 WT1 H ATOM 17074 OH2 TIP3 5579 1.062 -0.666 -1.795 1.00 0.00 WT1 O ATOM 17075 H1 TIP3 5579 1.916 -0.721 11.134 1.00 0.00 WT1 H ATOM 17076 H2 TIP3 5579 1.801 -10.734 -9.151 1.00 0.00 WT1 H ATOM 17077 OH2 TIP3 5581 -1.713 2.879 2.527 1.00 0.00 WT1 O ATOM 17078 H1 TIP3 5581 19.616 2.422 1.989 1.00 0.00 WT1 H ATOM 17079 H2 TIP3 5581 -2.154 -11.363 -6.014 1.00 0.00 WT1 H ATOM 17080 OH2 TIP3 5584 9.695 5.047 1.490 1.00 0.00 WT1 O ATOM 17081 H1 TIP3 5584 0.397 -9.903 -4.685 1.00 0.00 WT1 H ATOM 17082 H2 TIP3 5584 0.535 -2.951 33.288 1.00 0.00 WT1 H ATOM 17083 OH2 TIP3 5585 2.268 2.955 -2.430 1.00 0.00 WT1 O ATOM 17084 H1 TIP3 5585 6.211 4.323 7.582 1.00 0.00 WT1 H ATOM 17085 H2 TIP3 5585 18.869 9.171 11.268 1.00 0.00 WT1 H ATOM 17086 OH2 TIP3 5587 0.494 9.547 2.290 1.00 0.00 WT1 O ATOM 17087 H1 TIP3 5587 6.598 17.100 7.168 1.00 0.00 WT1 H ATOM 17088 H2 TIP3 5587 2.282 -2.399 2.130 1.00 0.00 WT1 H ATOM 17089 OH2 TIP3 5589 2.692 14.675 -0.862 1.00 0.00 WT1 O ATOM 17090 H1 TIP3 5589 14.406 1.517 -2.443 1.00 0.00 WT1 H ATOM 17091 H2 TIP3 5589 4.114 -10.574 -3.238 1.00 0.00 WT1 H ATOM 17092 OH2 TIP3 5590 1.356 -1.656 -4.536 1.00 0.00 WT1 O ATOM 17093 H1 TIP3 5590 4.189 -2.421 -2.651 1.00 0.00 WT1 H ATOM 17094 H2 TIP3 5590 -6.048 0.205 -1.070 1.00 0.00 WT1 H ATOM 17095 OH2 TIP3 5591 3.455 -0.527 1.018 1.00 0.00 WT1 O ATOM 17096 H1 TIP3 5591 -4.116 8.136 -4.013 1.00 0.00 WT1 H ATOM 17097 H2 TIP3 5591 13.699 20.349 16.605 1.00 0.00 WT1 H ATOM 17098 OH2 TIP3 5592 3.409 2.076 2.607 1.00 0.00 WT1 O ATOM 17099 H1 TIP3 5592 38.261 -0.027 26.708 1.00 0.00 WT1 H ATOM 17100 H2 TIP3 5592 1.380 7.808 4.464 1.00 0.00 WT1 H ATOM 17101 OH2 TIP3 5595 -5.606 -2.895 0.201 1.00 0.00 WT1 O ATOM 17102 H1 TIP3 5595 0.474 -2.729 12.686 1.00 0.00 WT1 H ATOM 17103 H2 TIP3 5595 -3.864 5.932 8.965 1.00 0.00 WT1 H ATOM 17104 OH2 TIP3 5596 -1.743 2.860 2.003 1.00 0.00 WT1 O ATOM 17105 H1 TIP3 5596 -4.504 24.861 -8.076 1.00 0.00 WT1 H ATOM 17106 H2 TIP3 5596 -8.862 -10.354 6.566 1.00 0.00 WT1 H ATOM 17107 OH2 TIP3 5597 4.375 -3.137 -3.166 1.00 0.00 WT1 O ATOM 17108 H1 TIP3 5597 3.616 -5.911 1.759 1.00 0.00 WT1 H ATOM 17109 H2 TIP3 5597 -0.180 -19.308 26.912 1.00 0.00 WT1 H ATOM 17110 OH2 TIP3 5598 -0.528 0.496 1.744 1.00 0.00 WT1 O ATOM 17111 H1 TIP3 5598 2.788 9.004 -1.825 1.00 0.00 WT1 H ATOM 17112 H2 TIP3 5598 2.805 -1.215 -0.253 1.00 0.00 WT1 H ATOM 17113 OH2 TIP3 5605 -4.303 -1.894 -0.740 1.00 0.00 WT1 O ATOM 17114 H1 TIP3 5605 1.264 4.563 -12.924 1.00 0.00 WT1 H ATOM 17115 H2 TIP3 5605 -4.426 10.705 -20.579 1.00 0.00 WT1 H ATOM 17116 OH2 TIP3 5606 -1.558 -7.306 1.159 1.00 0.00 WT1 O ATOM 17117 H1 TIP3 5606 1.066 -2.861 -7.939 1.00 0.00 WT1 H ATOM 17118 H2 TIP3 5606 6.641 -12.922 0.626 1.00 0.00 WT1 H ATOM 17119 OH2 TIP3 5607 -3.814 3.253 0.910 1.00 0.00 WT1 O ATOM 17120 H1 TIP3 5607 -13.572 -9.112 6.748 1.00 0.00 WT1 H ATOM 17121 H2 TIP3 5607 -0.638 -5.630 6.227 1.00 0.00 WT1 H ATOM 17122 OH2 TIP3 5608 1.400 7.152 -7.607 1.00 0.00 WT1 O ATOM 17123 H1 TIP3 5608 -1.080 13.870 8.946 1.00 0.00 WT1 H ATOM 17124 H2 TIP3 5608 -5.874 4.002 -0.582 1.00 0.00 WT1 H ATOM 17125 OH2 TIP3 5609 0.150 -0.613 8.727 1.00 0.00 WT1 O ATOM 17126 H1 TIP3 5609 2.830 11.112 14.787 1.00 0.00 WT1 H ATOM 17127 H2 TIP3 5609 -16.214 2.793 -1.963 1.00 0.00 WT1 H ATOM 17128 OH2 TIP3 5610 -7.168 0.228 0.385 1.00 0.00 WT1 O ATOM 17129 H1 TIP3 5610 -13.573 -1.814 8.786 1.00 0.00 WT1 H ATOM 17130 H2 TIP3 5610 -6.704 5.849 5.490 1.00 0.00 WT1 H ATOM 17131 OH2 TIP3 5611 -2.373 1.548 4.930 1.00 0.00 WT1 O ATOM 17132 H1 TIP3 5611 -0.615 6.356 -3.439 1.00 0.00 WT1 H ATOM 17133 H2 TIP3 5611 0.807 2.015 2.774 1.00 0.00 WT1 H ATOM 17134 OH2 TIP3 5612 -1.972 -2.911 2.959 1.00 0.00 WT1 O ATOM 17135 H1 TIP3 5612 7.075 -11.164 4.965 1.00 0.00 WT1 H ATOM 17136 H2 TIP3 5612 19.336 -2.403 3.579 1.00 0.00 WT1 H ATOM 17137 OH2 TIP3 5613 6.466 -5.092 -3.723 1.00 0.00 WT1 O ATOM 17138 H1 TIP3 5613 6.561 -3.895 -6.644 1.00 0.00 WT1 H ATOM 17139 H2 TIP3 5613 9.183 -5.333 -8.670 1.00 0.00 WT1 H ATOM 17140 OH2 TIP3 5614 -3.838 -0.994 5.293 1.00 0.00 WT1 O ATOM 17141 H1 TIP3 5614 -0.143 -4.914 -2.018 1.00 0.00 WT1 H ATOM 17142 H2 TIP3 5614 2.827 -6.989 -8.168 1.00 0.00 WT1 H ATOM 17143 OH2 TIP3 5615 3.155 12.133 -0.161 1.00 0.00 WT1 O ATOM 17144 H1 TIP3 5615 2.380 11.572 0.505 1.00 0.00 WT1 H ATOM 17145 H2 TIP3 5615 24.866 11.285 -3.436 1.00 0.00 WT1 H ATOM 17146 OH2 TIP3 5616 2.375 -3.612 2.379 1.00 0.00 WT1 O ATOM 17147 H1 TIP3 5616 -3.199 -5.339 11.912 1.00 0.00 WT1 H ATOM 17148 H2 TIP3 5616 4.646 -2.302 -9.389 1.00 0.00 WT1 H ATOM 17149 OH2 TIP3 5618 0.764 1.093 -7.630 1.00 0.00 WT1 O ATOM 17150 H1 TIP3 5618 -0.135 -6.994 -12.026 1.00 0.00 WT1 H ATOM 17151 H2 TIP3 5618 -2.773 -22.747 -15.319 1.00 0.00 WT1 H ATOM 17152 OH2 TIP3 5626 4.507 -1.936 -0.960 1.00 0.00 WT1 O ATOM 17153 H1 TIP3 5626 9.672 0.401 2.926 1.00 0.00 WT1 H ATOM 17154 H2 TIP3 5626 -1.285 -12.672 0.457 1.00 0.00 WT1 H ATOM 17155 OH2 TIP3 5630 -1.104 -0.902 2.411 1.00 0.00 WT1 O ATOM 17156 H1 TIP3 5630 1.103 11.615 -11.945 1.00 0.00 WT1 H ATOM 17157 H2 TIP3 5630 2.614 2.906 16.834 1.00 0.00 WT1 H ATOM 17158 OH2 TIP3 5631 2.266 -4.224 9.026 1.00 0.00 WT1 O ATOM 17159 H1 TIP3 5631 -9.328 -6.749 3.919 1.00 0.00 WT1 H ATOM 17160 H2 TIP3 5631 14.751 12.384 31.479 1.00 0.00 WT1 H ATOM 17161 OH2 TIP3 5632 1.781 -3.252 4.246 1.00 0.00 WT1 O ATOM 17162 H1 TIP3 5632 10.878 16.586 1.597 1.00 0.00 WT1 H ATOM 17163 H2 TIP3 5632 -1.472 -14.194 -9.591 1.00 0.00 WT1 H ATOM 17164 OH2 TIP3 5633 4.629 3.530 -3.476 1.00 0.00 WT1 O ATOM 17165 H1 TIP3 5633 19.302 2.457 0.405 1.00 0.00 WT1 H ATOM 17166 H2 TIP3 5633 18.929 -9.702 -24.993 1.00 0.00 WT1 H ATOM 17167 OH2 TIP3 5636 -3.880 0.001 -0.578 1.00 0.00 WT1 O ATOM 17168 H1 TIP3 5636 -0.679 3.791 12.377 1.00 0.00 WT1 H ATOM 17169 H2 TIP3 5636 6.702 -3.277 -6.363 1.00 0.00 WT1 H ATOM 17170 OH2 TIP3 5637 -3.311 -4.719 -5.246 1.00 0.00 WT1 O ATOM 17171 H1 TIP3 5637 -0.323 -1.852 5.107 1.00 0.00 WT1 H ATOM 17172 H2 TIP3 5637 -0.703 -2.632 2.488 1.00 0.00 WT1 H ATOM 17173 OH2 TIP3 5642 -6.146 -3.285 0.770 1.00 0.00 WT1 O ATOM 17174 H1 TIP3 5642 -8.618 -8.382 9.126 1.00 0.00 WT1 H ATOM 17175 H2 TIP3 5642 -11.877 12.983 -1.149 1.00 0.00 WT1 H ATOM 17176 OH2 TIP3 5647 -3.939 3.407 2.639 1.00 0.00 WT1 O ATOM 17177 H1 TIP3 5647 -17.023 -18.884 -17.219 1.00 0.00 WT1 H ATOM 17178 H2 TIP3 5647 2.048 -4.601 -2.210 1.00 0.00 WT1 H ATOM 17179 OH2 TIP3 5648 4.172 0.891 4.644 1.00 0.00 WT1 O ATOM 17180 H1 TIP3 5648 2.572 -1.175 3.646 1.00 0.00 WT1 H ATOM 17181 H2 TIP3 5648 -7.139 -19.821 -8.660 1.00 0.00 WT1 H ATOM 17182 OH2 TIP3 5649 -0.842 -3.376 1.414 1.00 0.00 WT1 O ATOM 17183 H1 TIP3 5649 2.773 5.429 17.234 1.00 0.00 WT1 H ATOM 17184 H2 TIP3 5649 24.283 -1.264 -7.484 1.00 0.00 WT1 H ATOM 17185 OH2 TIP3 5650 -0.561 -1.012 2.751 1.00 0.00 WT1 O ATOM 17186 H1 TIP3 5650 16.523 4.312 10.844 1.00 0.00 WT1 H ATOM 17187 H2 TIP3 5650 -17.083 0.827 41.549 1.00 0.00 WT1 H ATOM 17188 OH2 TIP3 5651 -1.877 -9.794 1.968 1.00 0.00 WT1 O ATOM 17189 H1 TIP3 5651 -5.406 12.761 0.496 1.00 0.00 WT1 H ATOM 17190 H2 TIP3 5651 -0.382 13.360 2.338 1.00 0.00 WT1 H ATOM 17191 OH2 TIP3 5653 -5.902 -7.587 -2.032 1.00 0.00 WT1 O ATOM 17192 H1 TIP3 5653 -10.191 -13.264 0.845 1.00 0.00 WT1 H ATOM 17193 H2 TIP3 5653 27.201 9.630 -9.818 1.00 0.00 WT1 H ATOM 17194 OH2 TIP3 5654 0.765 2.596 5.042 1.00 0.00 WT1 O ATOM 17195 H1 TIP3 5654 24.796 32.786 1.611 1.00 0.00 WT1 H ATOM 17196 H2 TIP3 5654 6.102 10.702 4.165 1.00 0.00 WT1 H ATOM 17197 OH2 TIP3 5655 -5.235 4.416 -1.387 1.00 0.00 WT1 O ATOM 17198 H1 TIP3 5655 -20.425 -0.248 -3.295 1.00 0.00 WT1 H ATOM 17199 H2 TIP3 5655 4.546 0.273 -3.122 1.00 0.00 WT1 H ATOM 17200 OH2 TIP3 5656 -10.442 -5.687 -4.270 1.00 0.00 WT1 O ATOM 17201 H1 TIP3 5656 -7.369 -5.359 -2.067 1.00 0.00 WT1 H ATOM 17202 H2 TIP3 5656 0.463 -3.206 -8.571 1.00 0.00 WT1 H ATOM 17203 OH2 TIP3 5657 -2.432 0.531 0.985 1.00 0.00 WT1 O ATOM 17204 H1 TIP3 5657 11.496 20.452 27.681 1.00 0.00 WT1 H ATOM 17205 H2 TIP3 5657 -9.720 -9.313 -12.521 1.00 0.00 WT1 H ATOM 17206 OH2 TIP3 5658 -3.715 -6.787 1.145 1.00 0.00 WT1 O ATOM 17207 H1 TIP3 5658 -15.604 4.048 2.956 1.00 0.00 WT1 H ATOM 17208 H2 TIP3 5658 7.685 0.987 4.796 1.00 0.00 WT1 H ATOM 17209 OH2 TIP3 5663 2.953 -0.503 -1.350 1.00 0.00 WT1 O ATOM 17210 H1 TIP3 5663 17.807 11.231 8.938 1.00 0.00 WT1 H ATOM 17211 H2 TIP3 5663 0.608 -5.703 -16.858 1.00 0.00 WT1 H ATOM 17212 OH2 TIP3 5664 1.809 5.363 1.137 1.00 0.00 WT1 O ATOM 17213 H1 TIP3 5664 -14.690 7.554 11.519 1.00 0.00 WT1 H ATOM 17214 H2 TIP3 5664 -8.102 6.165 4.317 1.00 0.00 WT1 H ATOM 17215 OH2 TIP3 5668 4.385 6.321 -2.107 1.00 0.00 WT1 O ATOM 17216 H1 TIP3 5668 10.620 2.433 7.223 1.00 0.00 WT1 H ATOM 17217 H2 TIP3 5668 -4.035 6.881 3.909 1.00 0.00 WT1 H ATOM 17218 OH2 TIP3 5669 -2.217 1.248 3.398 1.00 0.00 WT1 O ATOM 17219 H1 TIP3 5669 0.745 3.718 0.780 1.00 0.00 WT1 H ATOM 17220 H2 TIP3 5669 -2.280 -3.613 1.925 1.00 0.00 WT1 H ATOM 17221 OH2 TIP3 5670 4.600 -8.341 3.815 1.00 0.00 WT1 O ATOM 17222 H1 TIP3 5670 -5.836 -1.509 12.073 1.00 0.00 WT1 H ATOM 17223 H2 TIP3 5670 1.163 27.891 0.322 1.00 0.00 WT1 H ATOM 17224 OH2 TIP3 5671 2.922 5.444 4.568 1.00 0.00 WT1 O ATOM 17225 H1 TIP3 5671 -0.606 0.396 1.269 1.00 0.00 WT1 H ATOM 17226 H2 TIP3 5671 -6.297 26.804 -25.804 1.00 0.00 WT1 H ATOM 17227 OH2 TIP3 5673 2.007 -1.008 -1.702 1.00 0.00 WT1 O ATOM 17228 H1 TIP3 5673 8.748 14.162 16.064 1.00 0.00 WT1 H ATOM 17229 H2 TIP3 5673 2.320 2.542 0.266 1.00 0.00 WT1 H ATOM 17230 OH2 TIP3 5674 1.004 0.974 3.403 1.00 0.00 WT1 O ATOM 17231 H1 TIP3 5674 -3.006 2.101 2.066 1.00 0.00 WT1 H ATOM 17232 H2 TIP3 5674 8.549 1.009 0.764 1.00 0.00 WT1 H ATOM 17233 OH2 TIP3 5675 -1.338 -1.998 5.522 1.00 0.00 WT1 O ATOM 17234 H1 TIP3 5675 7.489 -14.945 8.242 1.00 0.00 WT1 H ATOM 17235 H2 TIP3 5675 -8.647 -22.439 -17.061 1.00 0.00 WT1 H ATOM 17236 OH2 TIP3 5676 -7.289 7.032 2.798 1.00 0.00 WT1 O ATOM 17237 H1 TIP3 5676 -0.574 4.293 -7.895 1.00 0.00 WT1 H ATOM 17238 H2 TIP3 5676 4.811 -2.582 -12.309 1.00 0.00 WT1 H ATOM 17239 OH2 TIP3 5678 -0.821 6.493 0.236 1.00 0.00 WT1 O ATOM 17240 H1 TIP3 5678 -16.247 6.402 3.891 1.00 0.00 WT1 H ATOM 17241 H2 TIP3 5678 9.426 11.170 -23.690 1.00 0.00 WT1 H ATOM 17242 OH2 TIP3 5679 3.599 4.518 4.697 1.00 0.00 WT1 O ATOM 17243 H1 TIP3 5679 8.074 -1.244 6.304 1.00 0.00 WT1 H ATOM 17244 H2 TIP3 5679 17.579 14.327 -20.304 1.00 0.00 WT1 H ATOM 17245 OH2 TIP3 5682 1.151 4.567 -0.006 1.00 0.00 WT1 O ATOM 17246 H1 TIP3 5682 7.137 5.977 7.057 1.00 0.00 WT1 H ATOM 17247 H2 TIP3 5682 -9.121 9.116 1.458 1.00 0.00 WT1 H ATOM 17248 OH2 TIP3 5683 3.219 6.842 1.839 1.00 0.00 WT1 O ATOM 17249 H1 TIP3 5683 -5.139 14.182 -5.286 1.00 0.00 WT1 H ATOM 17250 H2 TIP3 5683 6.741 2.492 -7.825 1.00 0.00 WT1 H ATOM 17251 OH2 TIP3 5687 0.548 6.121 -2.487 1.00 0.00 WT1 O ATOM 17252 H1 TIP3 5687 -16.713 -17.087 20.135 1.00 0.00 WT1 H ATOM 17253 H2 TIP3 5687 -5.667 8.393 9.856 1.00 0.00 WT1 H ATOM 17254 OH2 TIP3 5690 4.039 -0.050 -2.343 1.00 0.00 WT1 O ATOM 17255 H1 TIP3 5690 0.175 -4.236 -9.957 1.00 0.00 WT1 H ATOM 17256 H2 TIP3 5690 -6.320 25.647 -19.155 1.00 0.00 WT1 H ATOM 17257 OH2 TIP3 5691 -1.616 3.098 -3.501 1.00 0.00 WT1 O ATOM 17258 H1 TIP3 5691 -17.416 -2.231 17.474 1.00 0.00 WT1 H ATOM 17259 H2 TIP3 5691 6.917 28.939 -1.380 1.00 0.00 WT1 H ATOM 17260 OH2 TIP3 5692 3.608 -3.970 7.269 1.00 0.00 WT1 O ATOM 17261 H1 TIP3 5692 21.106 -13.408 20.832 1.00 0.00 WT1 H ATOM 17262 H2 TIP3 5692 -3.037 8.921 1.671 1.00 0.00 WT1 H ATOM 17263 OH2 TIP3 5694 1.070 -1.251 4.542 1.00 0.00 WT1 O ATOM 17264 H1 TIP3 5694 -6.873 11.801 -8.960 1.00 0.00 WT1 H ATOM 17265 H2 TIP3 5694 9.487 -6.348 14.535 1.00 0.00 WT1 H ATOM 17266 OH2 TIP3 5695 -1.690 1.895 -9.092 1.00 0.00 WT1 O ATOM 17267 H1 TIP3 5695 -9.261 14.594 -3.825 1.00 0.00 WT1 H ATOM 17268 H2 TIP3 5695 12.370 -16.760 3.387 1.00 0.00 WT1 H ATOM 17269 OH2 TIP3 5697 -2.745 1.975 1.438 1.00 0.00 WT1 O ATOM 17270 H1 TIP3 5697 2.463 -19.404 27.616 1.00 0.00 WT1 H ATOM 17271 H2 TIP3 5697 -6.388 3.825 -2.433 1.00 0.00 WT1 H ATOM 17272 OH2 TIP3 5698 1.550 2.549 4.225 1.00 0.00 WT1 O ATOM 17273 H1 TIP3 5698 10.360 5.023 9.458 1.00 0.00 WT1 H ATOM 17274 H2 TIP3 5698 21.244 7.977 11.065 1.00 0.00 WT1 H ATOM 17275 OH2 TIP3 5700 -2.566 -4.025 0.137 1.00 0.00 WT1 O ATOM 17276 H1 TIP3 5700 -5.446 -7.644 -21.475 1.00 0.00 WT1 H ATOM 17277 H2 TIP3 5700 -2.001 3.224 16.202 1.00 0.00 WT1 H ATOM 17278 OH2 TIP3 5701 4.306 0.696 0.032 1.00 0.00 WT1 O ATOM 17279 H1 TIP3 5701 1.546 20.721 14.649 1.00 0.00 WT1 H ATOM 17280 H2 TIP3 5701 3.312 0.912 -17.337 1.00 0.00 WT1 H ATOM 17281 OH2 TIP3 5702 -1.611 -6.716 -0.954 1.00 0.00 WT1 O ATOM 17282 H1 TIP3 5702 -14.498 -32.387 -4.704 1.00 0.00 WT1 H ATOM 17283 H2 TIP3 5702 2.153 -9.840 17.235 1.00 0.00 WT1 H ATOM 17284 OH2 TIP3 5704 4.877 -6.967 -3.586 1.00 0.00 WT1 O ATOM 17285 H1 TIP3 5704 3.270 -14.337 -19.053 1.00 0.00 WT1 H ATOM 17286 H2 TIP3 5704 16.469 -2.230 31.642 1.00 0.00 WT1 H ATOM 17287 OH2 TIP3 5705 -4.393 0.813 0.679 1.00 0.00 WT1 O ATOM 17288 H1 TIP3 5705 -32.415 9.644 0.439 1.00 0.00 WT1 H ATOM 17289 H2 TIP3 5705 3.985 7.119 8.828 1.00 0.00 WT1 H ATOM 17290 OH2 TIP3 5706 1.455 0.421 -4.392 1.00 0.00 WT1 O ATOM 17291 H1 TIP3 5706 0.846 -2.115 -0.658 1.00 0.00 WT1 H ATOM 17292 H2 TIP3 5706 5.287 4.825 -14.451 1.00 0.00 WT1 H ATOM 17293 OH2 TIP3 5709 4.729 4.501 1.672 1.00 0.00 WT1 O ATOM 17294 H1 TIP3 5709 9.580 18.890 -7.872 1.00 0.00 WT1 H ATOM 17295 H2 TIP3 5709 18.977 -2.061 8.819 1.00 0.00 WT1 H ATOM 17296 OH2 TIP3 5710 -1.509 -2.623 -7.221 1.00 0.00 WT1 O ATOM 17297 H1 TIP3 5710 5.487 0.379 -1.439 1.00 0.00 WT1 H ATOM 17298 H2 TIP3 5710 4.339 -18.677 6.601 1.00 0.00 WT1 H ATOM 17299 OH2 TIP3 5711 -1.135 -1.946 3.012 1.00 0.00 WT1 O ATOM 17300 H1 TIP3 5711 -1.639 2.395 -13.089 1.00 0.00 WT1 H ATOM 17301 H2 TIP3 5711 -0.043 -0.223 -8.202 1.00 0.00 WT1 H ATOM 17302 OH2 TIP3 5713 -4.947 -0.258 -9.267 1.00 0.00 WT1 O ATOM 17303 H1 TIP3 5713 -2.148 10.207 3.578 1.00 0.00 WT1 H ATOM 17304 H2 TIP3 5713 -14.358 4.792 -19.028 1.00 0.00 WT1 H ATOM 17305 OH2 TIP3 5714 -5.716 3.066 2.895 1.00 0.00 WT1 O ATOM 17306 H1 TIP3 5714 -12.810 5.909 11.453 1.00 0.00 WT1 H ATOM 17307 H2 TIP3 5714 -2.512 -9.617 -0.040 1.00 0.00 WT1 H ATOM 17308 OH2 TIP3 5716 -6.730 -0.782 0.916 1.00 0.00 WT1 O ATOM 17309 H1 TIP3 5716 20.472 -0.709 6.540 1.00 0.00 WT1 H ATOM 17310 H2 TIP3 5716 21.007 0.971 8.556 1.00 0.00 WT1 H ATOM 17311 OH2 TIP3 5717 -1.689 -2.825 1.354 1.00 0.00 WT1 O ATOM 17312 H1 TIP3 5717 -5.149 2.373 5.257 1.00 0.00 WT1 H ATOM 17313 H2 TIP3 5717 -6.559 3.370 7.242 1.00 0.00 WT1 H ATOM 17314 OH2 TIP3 5718 -3.010 -3.468 4.915 1.00 0.00 WT1 O ATOM 17315 H1 TIP3 5718 -7.024 1.333 7.542 1.00 0.00 WT1 H ATOM 17316 H2 TIP3 5718 -3.357 -8.179 1.085 1.00 0.00 WT1 H ATOM 17317 OH2 TIP3 5719 -2.014 -5.203 -0.389 1.00 0.00 WT1 O ATOM 17318 H1 TIP3 5719 17.308 -2.897 -10.518 1.00 0.00 WT1 H ATOM 17319 H2 TIP3 5719 26.269 -5.358 -4.236 1.00 0.00 WT1 H ATOM 17320 OH2 TIP3 5720 -0.101 -1.254 -1.737 1.00 0.00 WT1 O ATOM 17321 H1 TIP3 5720 4.785 -0.059 -3.836 1.00 0.00 WT1 H ATOM 17322 H2 TIP3 5720 0.317 0.253 -0.726 1.00 0.00 WT1 H ATOM 17323 OH2 TIP3 5722 -2.275 -5.236 8.675 1.00 0.00 WT1 O ATOM 17324 H1 TIP3 5722 17.569 -8.475 -10.886 1.00 0.00 WT1 H ATOM 17325 H2 TIP3 5722 -9.529 6.650 -17.074 1.00 0.00 WT1 H ATOM 17326 OH2 TIP3 5723 5.047 -2.236 5.078 1.00 0.00 WT1 O ATOM 17327 H1 TIP3 5723 2.544 -2.213 -1.854 1.00 0.00 WT1 H ATOM 17328 H2 TIP3 5723 0.233 -2.613 -9.119 1.00 0.00 WT1 H ATOM 17329 OH2 TIP3 5726 -3.956 -4.648 -5.233 1.00 0.00 WT1 O ATOM 17330 H1 TIP3 5726 -12.805 5.388 1.192 1.00 0.00 WT1 H ATOM 17331 H2 TIP3 5726 -5.392 -5.599 -0.926 1.00 0.00 WT1 H ATOM 17332 OH2 TIP3 5727 6.559 -2.093 2.815 1.00 0.00 WT1 O ATOM 17333 H1 TIP3 5727 -0.742 -8.205 -20.504 1.00 0.00 WT1 H ATOM 17334 H2 TIP3 5727 7.463 -12.571 20.133 1.00 0.00 WT1 H ATOM 17335 OH2 TIP3 5728 -7.069 -1.975 -1.395 1.00 0.00 WT1 O ATOM 17336 H1 TIP3 5728 -15.526 -19.999 13.797 1.00 0.00 WT1 H ATOM 17337 H2 TIP3 5728 -7.387 21.327 13.624 1.00 0.00 WT1 H ATOM 17338 OH2 TIP3 5729 -1.789 1.166 3.690 1.00 0.00 WT1 O ATOM 17339 H1 TIP3 5729 21.127 0.424 -4.627 1.00 0.00 WT1 H ATOM 17340 H2 TIP3 5729 0.269 -17.315 -3.560 1.00 0.00 WT1 H ATOM 17341 OH2 TIP3 5730 -1.348 -7.340 -1.260 1.00 0.00 WT1 O ATOM 17342 H1 TIP3 5730 -6.413 21.172 -2.295 1.00 0.00 WT1 H ATOM 17343 H2 TIP3 5730 -8.463 19.929 -8.196 1.00 0.00 WT1 H ATOM 17344 OH2 TIP3 5732 1.510 -3.173 2.830 1.00 0.00 WT1 O ATOM 17345 H1 TIP3 5732 16.139 -4.724 -11.359 1.00 0.00 WT1 H ATOM 17346 H2 TIP3 5732 9.666 5.343 19.354 1.00 0.00 WT1 H ATOM 17347 OH2 TIP3 5733 -6.255 -3.831 2.283 1.00 0.00 WT1 O ATOM 17348 H1 TIP3 5733 -1.265 -10.161 2.737 1.00 0.00 WT1 H ATOM 17349 H2 TIP3 5733 1.475 -6.324 3.991 1.00 0.00 WT1 H ATOM 17350 OH2 TIP3 5734 2.753 -2.657 -3.000 1.00 0.00 WT1 O ATOM 17351 H1 TIP3 5734 9.343 -9.235 -7.490 1.00 0.00 WT1 H ATOM 17352 H2 TIP3 5734 -2.126 7.578 9.141 1.00 0.00 WT1 H ATOM 17353 OH2 TIP3 5735 -2.231 -2.285 -7.235 1.00 0.00 WT1 O ATOM 17354 H1 TIP3 5735 -4.893 -31.304 10.945 1.00 0.00 WT1 H ATOM 17355 H2 TIP3 5735 4.711 3.593 -7.813 1.00 0.00 WT1 H ATOM 17356 OH2 TIP3 5736 -1.428 0.409 5.751 1.00 0.00 WT1 O ATOM 17357 H1 TIP3 5736 9.574 -2.327 -1.243 1.00 0.00 WT1 H ATOM 17358 H2 TIP3 5736 -7.528 1.556 17.758 1.00 0.00 WT1 H ATOM 17359 OH2 TIP3 5737 2.979 1.190 -3.404 1.00 0.00 WT1 O ATOM 17360 H1 TIP3 5737 6.171 -11.259 0.552 1.00 0.00 WT1 H ATOM 17361 H2 TIP3 5737 -7.629 -13.419 -5.286 1.00 0.00 WT1 H ATOM 17362 OH2 TIP3 5738 -0.053 -1.521 -2.570 1.00 0.00 WT1 O ATOM 17363 H1 TIP3 5738 -6.949 0.977 -5.883 1.00 0.00 WT1 H ATOM 17364 H2 TIP3 5738 -0.609 -8.493 2.481 1.00 0.00 WT1 H ATOM 17365 OH2 TIP3 5741 2.365 -3.397 -3.843 1.00 0.00 WT1 O ATOM 17366 H1 TIP3 5741 19.110 -7.613 9.671 1.00 0.00 WT1 H ATOM 17367 H2 TIP3 5741 -16.117 19.338 3.159 1.00 0.00 WT1 H ATOM 17368 OH2 TIP3 5742 -0.930 3.670 -7.309 1.00 0.00 WT1 O ATOM 17369 H1 TIP3 5742 -14.145 8.075 -8.394 1.00 0.00 WT1 H ATOM 17370 H2 TIP3 5742 -9.835 0.130 -7.931 1.00 0.00 WT1 H ATOM 17371 OH2 TIP3 5744 14.304 -1.680 -0.361 1.00 0.00 WT1 O ATOM 17372 H1 TIP3 5744 -5.124 10.191 1.453 1.00 0.00 WT1 H ATOM 17373 H2 TIP3 5744 22.397 1.792 19.409 1.00 0.00 WT1 H ATOM 17374 OH2 TIP3 5746 -0.893 -1.139 0.417 1.00 0.00 WT1 O ATOM 17375 H1 TIP3 5746 -8.889 -7.615 7.194 1.00 0.00 WT1 H ATOM 17376 H2 TIP3 5746 -22.237 14.857 -20.133 1.00 0.00 WT1 H ATOM 17377 OH2 TIP3 5748 2.591 6.570 0.872 1.00 0.00 WT1 O ATOM 17378 H1 TIP3 5748 13.900 4.362 -16.528 1.00 0.00 WT1 H ATOM 17379 H2 TIP3 5748 1.674 7.699 7.753 1.00 0.00 WT1 H ATOM 17380 OH2 TIP3 5749 -6.617 5.636 0.991 1.00 0.00 WT1 O ATOM 17381 H1 TIP3 5749 -5.750 3.698 14.476 1.00 0.00 WT1 H ATOM 17382 H2 TIP3 5749 -11.581 -0.853 8.730 1.00 0.00 WT1 H ATOM 17383 OH2 TIP3 5750 -0.004 -0.202 -0.414 1.00 0.00 WT1 O ATOM 17384 H1 TIP3 5750 -18.906 5.048 26.077 1.00 0.00 WT1 H ATOM 17385 H2 TIP3 5750 -2.603 -15.080 -6.210 1.00 0.00 WT1 H ATOM 17386 OH2 TIP3 5752 -2.704 2.292 -1.292 1.00 0.00 WT1 O ATOM 17387 H1 TIP3 5752 -7.184 -6.584 -5.699 1.00 0.00 WT1 H ATOM 17388 H2 TIP3 5752 -0.395 2.736 2.971 1.00 0.00 WT1 H ATOM 17389 OH2 TIP3 5753 -4.487 0.911 6.728 1.00 0.00 WT1 O ATOM 17390 H1 TIP3 5753 -4.629 14.314 -22.148 1.00 0.00 WT1 H ATOM 17391 H2 TIP3 5753 -0.352 1.051 14.557 1.00 0.00 WT1 H ATOM 17392 OH2 TIP3 5754 0.420 3.098 -1.277 1.00 0.00 WT1 O ATOM 17393 H1 TIP3 5754 1.127 2.102 -4.189 1.00 0.00 WT1 H ATOM 17394 H2 TIP3 5754 3.698 2.932 0.207 1.00 0.00 WT1 H ATOM 17395 OH2 TIP3 5755 4.083 0.773 -6.798 1.00 0.00 WT1 O ATOM 17396 H1 TIP3 5755 -24.812 -11.959 13.244 1.00 0.00 WT1 H ATOM 17397 H2 TIP3 5755 7.413 -13.295 15.352 1.00 0.00 WT1 H ATOM 17398 OH2 TIP3 5756 1.500 0.780 -3.083 1.00 0.00 WT1 O ATOM 17399 H1 TIP3 5756 11.068 1.138 -4.389 1.00 0.00 WT1 H ATOM 17400 H2 TIP3 5756 6.381 -3.923 -18.843 1.00 0.00 WT1 H ATOM 17401 OH2 TIP3 5757 1.066 2.418 3.849 1.00 0.00 WT1 O ATOM 17402 H1 TIP3 5757 11.437 -0.164 -4.077 1.00 0.00 WT1 H ATOM 17403 H2 TIP3 5757 -1.358 14.493 1.439 1.00 0.00 WT1 H ATOM 17404 OH2 TIP3 5758 1.031 -5.214 0.772 1.00 0.00 WT1 O ATOM 17405 H1 TIP3 5758 -6.497 8.845 19.398 1.00 0.00 WT1 H ATOM 17406 H2 TIP3 5758 2.117 3.619 4.452 1.00 0.00 WT1 H ATOM 17407 OH2 TIP3 5759 3.040 3.878 -0.062 1.00 0.00 WT1 O ATOM 17408 H1 TIP3 5759 14.454 12.610 13.033 1.00 0.00 WT1 H ATOM 17409 H2 TIP3 5759 -24.665 33.790 10.246 1.00 0.00 WT1 H ATOM 17410 OH2 TIP3 5760 -3.502 5.897 1.115 1.00 0.00 WT1 O ATOM 17411 H1 TIP3 5760 -9.210 13.038 -20.525 1.00 0.00 WT1 H ATOM 17412 H2 TIP3 5760 20.552 1.935 1.652 1.00 0.00 WT1 H ATOM 17413 OH2 TIP3 5761 -6.142 -5.784 2.862 1.00 0.00 WT1 O ATOM 17414 H1 TIP3 5761 10.574 -0.971 5.751 1.00 0.00 WT1 H ATOM 17415 H2 TIP3 5761 2.074 -6.817 3.352 1.00 0.00 WT1 H ATOM 17416 OH2 TIP3 5762 6.038 -3.749 4.972 1.00 0.00 WT1 O ATOM 17417 H1 TIP3 5762 7.153 -22.504 -8.244 1.00 0.00 WT1 H ATOM 17418 H2 TIP3 5762 9.199 -9.199 5.260 1.00 0.00 WT1 H ATOM 17419 OH2 TIP3 5763 6.588 0.029 -0.779 1.00 0.00 WT1 O ATOM 17420 H1 TIP3 5763 -10.762 5.983 36.925 1.00 0.00 WT1 H ATOM 17421 H2 TIP3 5763 -7.115 -8.987 -7.441 1.00 0.00 WT1 H ATOM 17422 OH2 TIP3 5764 2.865 -3.373 0.741 1.00 0.00 WT1 O ATOM 17423 H1 TIP3 5764 10.618 -12.540 38.766 1.00 0.00 WT1 H ATOM 17424 H2 TIP3 5764 -3.404 -6.781 1.330 1.00 0.00 WT1 H ATOM 17425 OH2 TIP3 5765 -4.044 4.632 -4.914 1.00 0.00 WT1 O ATOM 17426 H1 TIP3 5765 10.172 0.355 -14.245 1.00 0.00 WT1 H ATOM 17427 H2 TIP3 5765 -1.483 -11.486 17.386 1.00 0.00 WT1 H ATOM 17428 OH2 TIP3 5767 -4.546 0.778 3.375 1.00 0.00 WT1 O ATOM 17429 H1 TIP3 5767 -7.510 15.162 4.413 1.00 0.00 WT1 H ATOM 17430 H2 TIP3 5767 14.094 0.760 -23.841 1.00 0.00 WT1 H ATOM 17431 OH2 TIP3 5768 0.837 -0.313 -7.848 1.00 0.00 WT1 O ATOM 17432 H1 TIP3 5768 4.704 4.414 -4.480 1.00 0.00 WT1 H ATOM 17433 H2 TIP3 5768 -4.945 -7.722 -6.318 1.00 0.00 WT1 H ATOM 17434 OH2 TIP3 5769 -4.825 -4.859 -8.040 1.00 0.00 WT1 O ATOM 17435 H1 TIP3 5769 26.119 -36.350 -24.257 1.00 0.00 WT1 H ATOM 17436 H2 TIP3 5769 -5.273 10.509 30.335 1.00 0.00 WT1 H ATOM 17437 OH2 TIP3 5772 3.592 -3.665 4.696 1.00 0.00 WT1 O ATOM 17438 H1 TIP3 5772 4.068 -6.113 4.579 1.00 0.00 WT1 H ATOM 17439 H2 TIP3 5772 2.399 16.589 -11.725 1.00 0.00 WT1 H ATOM 17440 OH2 TIP3 5773 3.180 3.377 4.094 1.00 0.00 WT1 O ATOM 17441 H1 TIP3 5773 7.251 -3.950 -15.874 1.00 0.00 WT1 H ATOM 17442 H2 TIP3 5773 -10.343 -8.951 24.245 1.00 0.00 WT1 H ATOM 17443 OH2 TIP3 5774 -6.254 -1.385 6.779 1.00 0.00 WT1 O ATOM 17444 H1 TIP3 5774 -1.611 -14.526 15.308 1.00 0.00 WT1 H ATOM 17445 H2 TIP3 5774 0.975 9.155 22.280 1.00 0.00 WT1 H ATOM 17446 OH2 TIP3 5775 4.003 -6.166 0.266 1.00 0.00 WT1 O ATOM 17447 H1 TIP3 5775 -16.690 0.880 4.387 1.00 0.00 WT1 H ATOM 17448 H2 TIP3 5775 7.312 -4.990 20.957 1.00 0.00 WT1 H ATOM 17449 OH2 TIP3 5776 -2.940 -7.197 10.346 1.00 0.00 WT1 O ATOM 17450 H1 TIP3 5776 10.278 -6.199 -3.018 1.00 0.00 WT1 H ATOM 17451 H2 TIP3 5776 -0.682 0.427 16.918 1.00 0.00 WT1 H ATOM 17452 OH2 TIP3 5777 7.079 1.529 8.240 1.00 0.00 WT1 O ATOM 17453 H1 TIP3 5777 6.653 8.133 23.168 1.00 0.00 WT1 H ATOM 17454 H2 TIP3 5777 9.873 12.490 -4.214 1.00 0.00 WT1 H ATOM 17455 OH2 TIP3 5778 -0.306 0.313 -0.974 1.00 0.00 WT1 O ATOM 17456 H1 TIP3 5778 -3.815 2.187 1.908 1.00 0.00 WT1 H ATOM 17457 H2 TIP3 5778 -20.378 9.662 3.873 1.00 0.00 WT1 H ATOM 17458 OH2 TIP3 5779 -8.417 -5.151 -0.809 1.00 0.00 WT1 O ATOM 17459 H1 TIP3 5779 -23.192 26.602 -9.192 1.00 0.00 WT1 H ATOM 17460 H2 TIP3 5779 -3.585 -13.202 0.769 1.00 0.00 WT1 H ATOM 17461 OH2 TIP3 5780 -2.432 -0.322 -3.534 1.00 0.00 WT1 O ATOM 17462 H1 TIP3 5780 8.461 -18.843 -3.367 1.00 0.00 WT1 H ATOM 17463 H2 TIP3 5780 8.981 4.549 -6.788 1.00 0.00 WT1 H ATOM 17464 OH2 TIP3 5781 2.217 -1.672 -0.803 1.00 0.00 WT1 O ATOM 17465 H1 TIP3 5781 2.338 -0.552 -3.436 1.00 0.00 WT1 H ATOM 17466 H2 TIP3 5781 4.611 2.320 -8.575 1.00 0.00 WT1 H ATOM 17467 OH2 TIP3 5782 -4.133 6.580 -0.091 1.00 0.00 WT1 O ATOM 17468 H1 TIP3 5782 -2.273 9.130 11.777 1.00 0.00 WT1 H ATOM 17469 H2 TIP3 5782 -18.934 -21.817 0.566 1.00 0.00 WT1 H ATOM 17470 OH2 TIP3 5783 -2.588 -3.177 3.373 1.00 0.00 WT1 O ATOM 17471 H1 TIP3 5783 -7.683 -2.409 6.066 1.00 0.00 WT1 H ATOM 17472 H2 TIP3 5783 -9.829 -2.042 7.395 1.00 0.00 WT1 H ATOM 17473 OH2 TIP3 5784 0.210 -0.591 -0.638 1.00 0.00 WT1 O ATOM 17474 H1 TIP3 5784 -14.083 -17.744 11.319 1.00 0.00 WT1 H ATOM 17475 H2 TIP3 5784 0.847 -3.749 1.830 1.00 0.00 WT1 H ATOM 17476 OH2 TIP3 5785 1.802 -5.689 -1.757 1.00 0.00 WT1 O ATOM 17477 H1 TIP3 5785 -30.993 3.418 -4.101 1.00 0.00 WT1 H ATOM 17478 H2 TIP3 5785 -13.121 6.431 -2.619 1.00 0.00 WT1 H ATOM 17479 OH2 TIP3 5786 5.461 4.435 3.704 1.00 0.00 WT1 O ATOM 17480 H1 TIP3 5786 -1.547 8.428 4.449 1.00 0.00 WT1 H ATOM 17481 H2 TIP3 5786 -0.493 -9.839 4.998 1.00 0.00 WT1 H ATOM 17482 OH2 TIP3 5787 3.754 -3.069 -1.991 1.00 0.00 WT1 O ATOM 17483 H1 TIP3 5787 9.289 27.778 3.494 1.00 0.00 WT1 H ATOM 17484 H2 TIP3 5787 -2.652 -24.710 5.173 1.00 0.00 WT1 H ATOM 17485 OH2 TIP3 5788 8.083 -5.182 -3.525 1.00 0.00 WT1 O ATOM 17486 H1 TIP3 5788 13.106 -11.425 -13.886 1.00 0.00 WT1 H ATOM 17487 H2 TIP3 5788 -19.608 27.239 6.139 1.00 0.00 WT1 H ATOM 17488 OH2 TIP3 5789 -2.482 1.657 6.682 1.00 0.00 WT1 O ATOM 17489 H1 TIP3 5789 -4.361 7.492 -8.100 1.00 0.00 WT1 H ATOM 17490 H2 TIP3 5789 13.896 5.621 -5.119 1.00 0.00 WT1 H ATOM 17491 OH2 TIP3 5790 -2.863 1.844 0.713 1.00 0.00 WT1 O ATOM 17492 H1 TIP3 5790 -12.291 -11.219 -4.705 1.00 0.00 WT1 H ATOM 17493 H2 TIP3 5790 -2.030 11.659 -7.183 1.00 0.00 WT1 H ATOM 17494 OH2 TIP3 5791 0.750 0.979 0.562 1.00 0.00 WT1 O ATOM 17495 H1 TIP3 5791 -2.093 9.103 3.109 1.00 0.00 WT1 H ATOM 17496 H2 TIP3 5791 -5.860 14.967 5.841 1.00 0.00 WT1 H ATOM 17497 OH2 TIP3 5792 1.675 2.534 3.441 1.00 0.00 WT1 O ATOM 17498 H1 TIP3 5792 -7.809 3.023 15.903 1.00 0.00 WT1 H ATOM 17499 H2 TIP3 5792 12.413 7.831 0.622 1.00 0.00 WT1 H ATOM 17500 OH2 TIP3 5793 4.030 0.371 6.497 1.00 0.00 WT1 O ATOM 17501 H1 TIP3 5793 -5.463 -18.892 4.926 1.00 0.00 WT1 H ATOM 17502 H2 TIP3 5793 5.531 5.435 7.182 1.00 0.00 WT1 H ATOM 17503 OH2 TIP3 5794 -5.197 4.972 -11.183 1.00 0.00 WT1 O ATOM 17504 H1 TIP3 5794 8.277 -22.356 7.862 1.00 0.00 WT1 H ATOM 17505 H2 TIP3 5794 2.317 -0.238 -10.558 1.00 0.00 WT1 H ATOM 17506 OH2 TIP3 5795 -1.794 1.636 1.298 1.00 0.00 WT1 O ATOM 17507 H1 TIP3 5795 -8.125 2.772 0.519 1.00 0.00 WT1 H ATOM 17508 H2 TIP3 5795 2.261 0.253 1.510 1.00 0.00 WT1 H ATOM 17509 OH2 TIP3 5796 2.760 -1.527 -0.530 1.00 0.00 WT1 O ATOM 17510 H1 TIP3 5796 -20.831 1.394 -1.692 1.00 0.00 WT1 H ATOM 17511 H2 TIP3 5796 7.734 -1.398 4.539 1.00 0.00 WT1 H ATOM 17512 OH2 TIP3 5797 0.006 -7.917 -0.252 1.00 0.00 WT1 O ATOM 17513 H1 TIP3 5797 8.944 -1.487 -4.478 1.00 0.00 WT1 H ATOM 17514 H2 TIP3 5797 -0.960 -25.541 -3.764 1.00 0.00 WT1 H ATOM 17515 OH2 TIP3 5798 2.566 2.536 -3.748 1.00 0.00 WT1 O ATOM 17516 H1 TIP3 5798 9.314 -8.003 1.143 1.00 0.00 WT1 H ATOM 17517 H2 TIP3 5798 7.658 -3.148 -3.723 1.00 0.00 WT1 H ATOM 17518 OH2 TIP3 5799 0.084 -0.414 4.893 1.00 0.00 WT1 O ATOM 17519 H1 TIP3 5799 17.640 17.473 -6.970 1.00 0.00 WT1 H ATOM 17520 H2 TIP3 5799 11.264 26.687 -11.014 1.00 0.00 WT1 H ATOM 17521 OH2 TIP3 5800 -4.097 1.874 2.288 1.00 0.00 WT1 O ATOM 17522 H1 TIP3 5800 -17.940 -7.170 -10.269 1.00 0.00 WT1 H ATOM 17523 H2 TIP3 5800 -7.326 8.015 -1.911 1.00 0.00 WT1 H ATOM 17524 OH2 TIP3 5801 0.528 -0.923 1.826 1.00 0.00 WT1 O ATOM 17525 H1 TIP3 5801 4.091 -4.468 17.373 1.00 0.00 WT1 H ATOM 17526 H2 TIP3 5801 -2.738 2.129 -2.644 1.00 0.00 WT1 H ATOM 17527 OH2 TIP3 5802 4.651 -2.973 4.303 1.00 0.00 WT1 O ATOM 17528 H1 TIP3 5802 4.024 7.379 9.774 1.00 0.00 WT1 H ATOM 17529 H2 TIP3 5802 4.730 -2.886 23.965 1.00 0.00 WT1 H ATOM 17530 OH2 TIP3 5803 2.899 -2.931 -2.372 1.00 0.00 WT1 O ATOM 17531 H1 TIP3 5803 -16.753 7.335 33.776 1.00 0.00 WT1 H ATOM 17532 H2 TIP3 5803 -13.178 -3.715 5.192 1.00 0.00 WT1 H ATOM 17533 OH2 TIP3 5804 -0.883 4.923 -0.780 1.00 0.00 WT1 O ATOM 17534 H1 TIP3 5804 -2.371 5.911 -2.659 1.00 0.00 WT1 H ATOM 17535 H2 TIP3 5804 -1.683 -2.537 -1.077 1.00 0.00 WT1 H ATOM 17536 OH2 TIP3 5805 -3.927 7.534 4.808 1.00 0.00 WT1 O ATOM 17537 H1 TIP3 5805 6.944 13.388 -9.469 1.00 0.00 WT1 H ATOM 17538 H2 TIP3 5805 -8.838 4.364 1.931 1.00 0.00 WT1 H ATOM 17539 OH2 TIP3 5806 8.104 8.601 1.914 1.00 0.00 WT1 O ATOM 17540 H1 TIP3 5806 -19.541 -1.901 25.102 1.00 0.00 WT1 H ATOM 17541 H2 TIP3 5806 37.773 14.639 -18.943 1.00 0.00 WT1 H ATOM 17542 OH2 TIP3 5807 -0.360 -5.052 0.654 1.00 0.00 WT1 O ATOM 17543 H1 TIP3 5807 1.221 8.570 8.994 1.00 0.00 WT1 H ATOM 17544 H2 TIP3 5807 0.437 3.089 10.689 1.00 0.00 WT1 H ATOM 17545 OH2 TIP3 5808 2.793 -2.255 -0.117 1.00 0.00 WT1 O ATOM 17546 H1 TIP3 5808 14.924 1.551 -2.479 1.00 0.00 WT1 H ATOM 17547 H2 TIP3 5808 -1.534 -5.349 1.738 1.00 0.00 WT1 H ATOM 17548 OH2 TIP3 5809 3.589 2.371 6.404 1.00 0.00 WT1 O ATOM 17549 H1 TIP3 5809 -9.012 24.229 1.437 1.00 0.00 WT1 H ATOM 17550 H2 TIP3 5809 4.026 2.898 17.759 1.00 0.00 WT1 H ATOM 17551 OH2 TIP3 5810 5.345 -4.758 5.387 1.00 0.00 WT1 O ATOM 17552 H1 TIP3 5810 -15.393 -6.015 4.588 1.00 0.00 WT1 H ATOM 17553 H2 TIP3 5810 2.332 13.771 -30.007 1.00 0.00 WT1 H ATOM 17554 OH2 TIP3 5813 -2.456 7.238 -3.136 1.00 0.00 WT1 O ATOM 17555 H1 TIP3 5813 6.186 10.650 12.177 1.00 0.00 WT1 H ATOM 17556 H2 TIP3 5813 -4.957 4.205 -6.119 1.00 0.00 WT1 H ATOM 17557 OH2 TIP3 5814 3.496 -3.253 2.161 1.00 0.00 WT1 O ATOM 17558 H1 TIP3 5814 6.314 -13.648 12.367 1.00 0.00 WT1 H ATOM 17559 H2 TIP3 5814 17.014 9.348 -2.434 1.00 0.00 WT1 H ATOM 17560 OH2 TIP3 5815 -5.876 -1.191 5.809 1.00 0.00 WT1 O ATOM 17561 H1 TIP3 5815 -1.031 7.942 -2.299 1.00 0.00 WT1 H ATOM 17562 H2 TIP3 5815 -9.113 2.842 -5.893 1.00 0.00 WT1 H ATOM 17563 OH2 TIP3 5816 2.396 1.595 -0.099 1.00 0.00 WT1 O ATOM 17564 H1 TIP3 5816 12.190 0.172 3.156 1.00 0.00 WT1 H ATOM 17565 H2 TIP3 5816 -21.303 -2.110 7.275 1.00 0.00 WT1 H ATOM 17566 OH2 TIP3 5817 0.656 -1.720 -1.401 1.00 0.00 WT1 O ATOM 17567 H1 TIP3 5817 0.779 -8.040 26.586 1.00 0.00 WT1 H ATOM 17568 H2 TIP3 5817 19.426 9.144 -7.510 1.00 0.00 WT1 H ATOM 17569 OH2 TIP3 5818 -7.643 8.677 -5.497 1.00 0.00 WT1 O ATOM 17570 H1 TIP3 5818 0.721 -8.088 26.721 1.00 0.00 WT1 H ATOM 17571 H2 TIP3 5818 -0.539 8.645 8.752 1.00 0.00 WT1 H ATOM 17572 OH2 TIP3 5819 1.845 4.920 -1.137 1.00 0.00 WT1 O ATOM 17573 H1 TIP3 5819 0.937 1.740 7.901 1.00 0.00 WT1 H ATOM 17574 H2 TIP3 5819 20.568 -6.260 -9.374 1.00 0.00 WT1 H ATOM 17575 OH2 TIP3 5820 2.234 3.579 2.143 1.00 0.00 WT1 O ATOM 17576 H1 TIP3 5820 -3.779 2.343 6.436 1.00 0.00 WT1 H ATOM 17577 H2 TIP3 5820 6.398 1.671 -1.584 1.00 0.00 WT1 H ATOM 17578 OH2 TIP3 5821 2.114 -0.720 -3.476 1.00 0.00 WT1 O ATOM 17579 H1 TIP3 5821 -11.688 -6.881 -3.131 1.00 0.00 WT1 H ATOM 17580 H2 TIP3 5821 13.403 1.318 14.027 1.00 0.00 WT1 H ATOM 17581 OH2 TIP3 5822 11.221 4.884 7.136 1.00 0.00 WT1 O ATOM 17582 H1 TIP3 5822 5.603 22.222 -4.309 1.00 0.00 WT1 H ATOM 17583 H2 TIP3 5822 -4.839 0.792 19.505 1.00 0.00 WT1 H ATOM 17584 OH2 TIP3 5823 -10.656 4.287 7.195 1.00 0.00 WT1 O ATOM 17585 H1 TIP3 5823 -1.562 -1.082 16.107 1.00 0.00 WT1 H ATOM 17586 H2 TIP3 5823 -0.187 0.895 15.785 1.00 0.00 WT1 H ATOM 17587 OH2 TIP3 5824 -0.596 0.111 -2.785 1.00 0.00 WT1 O ATOM 17588 H1 TIP3 5824 5.045 9.071 1.076 1.00 0.00 WT1 H ATOM 17589 H2 TIP3 5824 29.671 -10.871 -28.821 1.00 0.00 WT1 H ATOM 17590 OH2 TIP3 5826 5.879 -0.950 3.395 1.00 0.00 WT1 O ATOM 17591 H1 TIP3 5826 16.837 0.632 13.597 1.00 0.00 WT1 H ATOM 17592 H2 TIP3 5826 -20.164 14.146 -20.801 1.00 0.00 WT1 H ATOM 17593 OH2 TIP3 5827 -0.689 4.048 -3.369 1.00 0.00 WT1 O ATOM 17594 H1 TIP3 5827 -13.436 9.432 -9.647 1.00 0.00 WT1 H ATOM 17595 H2 TIP3 5827 7.058 -2.527 -27.023 1.00 0.00 WT1 H ATOM 17596 OH2 TIP3 5828 3.257 0.206 -2.995 1.00 0.00 WT1 O ATOM 17597 H1 TIP3 5828 8.504 2.422 -2.276 1.00 0.00 WT1 H ATOM 17598 H2 TIP3 5828 9.646 -2.200 -9.843 1.00 0.00 WT1 H ATOM 17599 OH2 TIP3 5830 -0.927 -0.495 -3.479 1.00 0.00 WT1 O ATOM 17600 H1 TIP3 5830 0.819 -6.289 -15.116 1.00 0.00 WT1 H ATOM 17601 H2 TIP3 5830 14.029 3.057 -13.751 1.00 0.00 WT1 H ATOM 17602 OH2 TIP3 5831 3.807 2.696 -0.023 1.00 0.00 WT1 O ATOM 17603 H1 TIP3 5831 -2.556 0.300 -23.032 1.00 0.00 WT1 H ATOM 17604 H2 TIP3 5831 -9.764 -4.312 20.832 1.00 0.00 WT1 H ATOM 17605 OH2 TIP3 5832 0.931 -2.415 1.278 1.00 0.00 WT1 O ATOM 17606 H1 TIP3 5832 4.781 -6.983 5.057 1.00 0.00 WT1 H ATOM 17607 H2 TIP3 5832 -5.407 6.964 -8.194 1.00 0.00 WT1 H ATOM 17608 OH2 TIP3 5833 2.998 -5.244 -7.377 1.00 0.00 WT1 O ATOM 17609 H1 TIP3 5833 2.207 5.022 -4.810 1.00 0.00 WT1 H ATOM 17610 H2 TIP3 5833 17.634 3.651 -5.381 1.00 0.00 WT1 H ATOM 17611 OH2 TIP3 5834 -0.847 1.651 2.034 1.00 0.00 WT1 O ATOM 17612 H1 TIP3 5834 3.514 3.438 -2.948 1.00 0.00 WT1 H ATOM 17613 H2 TIP3 5834 -17.008 -4.038 2.135 1.00 0.00 WT1 H ATOM 17614 OH2 TIP3 5835 -2.363 -0.233 0.831 1.00 0.00 WT1 O ATOM 17615 H1 TIP3 5835 -16.424 0.114 7.901 1.00 0.00 WT1 H ATOM 17616 H2 TIP3 5835 14.194 18.608 -2.249 1.00 0.00 WT1 H ATOM 17617 OH2 TIP3 5836 0.499 0.468 1.626 1.00 0.00 WT1 O ATOM 17618 H1 TIP3 5836 5.499 7.223 0.264 1.00 0.00 WT1 H ATOM 17619 H2 TIP3 5836 -7.694 -10.489 3.868 1.00 0.00 WT1 H ATOM 17620 OH2 TIP3 5837 -0.148 -5.093 2.587 1.00 0.00 WT1 O ATOM 17621 H1 TIP3 5837 13.339 3.675 4.795 1.00 0.00 WT1 H ATOM 17622 H2 TIP3 5837 -11.531 -20.094 22.891 1.00 0.00 WT1 H ATOM 17623 OH2 TIP3 5838 0.811 -1.382 -3.430 1.00 0.00 WT1 O ATOM 17624 H1 TIP3 5838 4.001 6.375 -2.329 1.00 0.00 WT1 H ATOM 17625 H2 TIP3 5838 -13.278 -8.619 -20.154 1.00 0.00 WT1 H ATOM 17626 OH2 TIP3 5839 0.683 -1.101 -3.509 1.00 0.00 WT1 O ATOM 17627 H1 TIP3 5839 -0.632 3.231 -22.699 1.00 0.00 WT1 H ATOM 17628 H2 TIP3 5839 33.437 -2.424 -1.226 1.00 0.00 WT1 H ATOM 17629 OH2 TIP3 5840 3.907 -3.590 8.221 1.00 0.00 WT1 O ATOM 17630 H1 TIP3 5840 -6.948 -7.522 10.947 1.00 0.00 WT1 H ATOM 17631 H2 TIP3 5840 16.958 0.058 5.754 1.00 0.00 WT1 H ATOM 17632 OH2 TIP3 5841 0.466 -0.977 -3.903 1.00 0.00 WT1 O ATOM 17633 H1 TIP3 5841 12.326 -1.669 -1.383 1.00 0.00 WT1 H ATOM 17634 H2 TIP3 5841 23.133 1.624 0.676 1.00 0.00 WT1 H ATOM 17635 OH2 TIP3 5842 -6.307 -4.602 1.501 1.00 0.00 WT1 O ATOM 17636 H1 TIP3 5842 13.648 -13.853 -0.892 1.00 0.00 WT1 H ATOM 17637 H2 TIP3 5842 -15.242 3.527 -27.715 1.00 0.00 WT1 H ATOM 17638 OH2 TIP3 5843 -1.270 1.470 -4.148 1.00 0.00 WT1 O ATOM 17639 H1 TIP3 5843 15.605 14.515 15.124 1.00 0.00 WT1 H ATOM 17640 H2 TIP3 5843 -0.491 -13.857 -4.203 1.00 0.00 WT1 H ATOM 17641 OH2 TIP3 5844 -8.008 5.332 1.412 1.00 0.00 WT1 O ATOM 17642 H1 TIP3 5844 5.437 13.968 19.251 1.00 0.00 WT1 H ATOM 17643 H2 TIP3 5844 -18.358 1.754 -18.049 1.00 0.00 WT1 H ATOM 17644 OH2 TIP3 5845 -2.324 -1.042 1.687 1.00 0.00 WT1 O ATOM 17645 H1 TIP3 5845 -4.376 4.380 -5.980 1.00 0.00 WT1 H ATOM 17646 H2 TIP3 5845 1.448 -4.367 1.709 1.00 0.00 WT1 H ATOM 17647 OH2 TIP3 5846 5.933 6.718 1.384 1.00 0.00 WT1 O ATOM 17648 H1 TIP3 5846 7.983 5.732 3.394 1.00 0.00 WT1 H ATOM 17649 H2 TIP3 5846 -6.132 7.702 -7.696 1.00 0.00 WT1 H ATOM 17650 OH2 TIP3 5847 -0.411 -0.220 3.418 1.00 0.00 WT1 O ATOM 17651 H1 TIP3 5847 15.960 -17.603 -5.349 1.00 0.00 WT1 H ATOM 17652 H2 TIP3 5847 10.935 -14.045 -0.909 1.00 0.00 WT1 H ATOM 17653 OH2 TIP3 5848 -1.017 2.154 -1.180 1.00 0.00 WT1 O ATOM 17654 H1 TIP3 5848 16.336 0.428 4.678 1.00 0.00 WT1 H ATOM 17655 H2 TIP3 5848 -18.428 0.662 -4.707 1.00 0.00 WT1 H ATOM 17656 OH2 TIP3 5850 2.471 -0.625 -1.769 1.00 0.00 WT1 O ATOM 17657 H1 TIP3 5850 -4.339 6.374 6.987 1.00 0.00 WT1 H ATOM 17658 H2 TIP3 5850 -17.032 8.588 -17.539 1.00 0.00 WT1 H ATOM 17659 OH2 TIP3 5851 0.465 5.786 -0.066 1.00 0.00 WT1 O ATOM 17660 H1 TIP3 5851 18.970 -2.262 -9.369 1.00 0.00 WT1 H ATOM 17661 H2 TIP3 5851 22.068 12.031 8.508 1.00 0.00 WT1 H ATOM 17662 OH2 TIP3 5852 3.776 -3.203 11.755 1.00 0.00 WT1 O ATOM 17663 H1 TIP3 5852 -9.064 -8.201 23.037 1.00 0.00 WT1 H ATOM 17664 H2 TIP3 5852 3.457 -12.217 10.320 1.00 0.00 WT1 H ATOM 17665 OH2 TIP3 5853 -1.674 0.973 0.236 1.00 0.00 WT1 O ATOM 17666 H1 TIP3 5853 3.444 -12.206 -0.141 1.00 0.00 WT1 H ATOM 17667 H2 TIP3 5853 -0.082 -24.626 -25.699 1.00 0.00 WT1 H ATOM 17668 OH2 TIP3 5854 3.943 -0.782 0.927 1.00 0.00 WT1 O ATOM 17669 H1 TIP3 5854 17.069 -21.073 10.633 1.00 0.00 WT1 H ATOM 17670 H2 TIP3 5854 -10.338 10.157 19.203 1.00 0.00 WT1 H ATOM 17671 OH2 TIP3 5855 -3.008 3.136 1.224 1.00 0.00 WT1 O ATOM 17672 H1 TIP3 5855 -7.747 -1.593 7.557 1.00 0.00 WT1 H ATOM 17673 H2 TIP3 5855 4.527 21.084 13.170 1.00 0.00 WT1 H ATOM 17674 OH2 TIP3 5856 -3.587 -3.244 -2.167 1.00 0.00 WT1 O ATOM 17675 H1 TIP3 5856 1.267 -0.340 6.608 1.00 0.00 WT1 H ATOM 17676 H2 TIP3 5856 -9.702 -1.292 -0.459 1.00 0.00 WT1 H ATOM 17677 OH2 TIP3 5857 0.191 -2.105 6.126 1.00 0.00 WT1 O ATOM 17678 H1 TIP3 5857 17.290 -25.474 0.782 1.00 0.00 WT1 H ATOM 17679 H2 TIP3 5857 14.214 -12.848 -11.724 1.00 0.00 WT1 H ATOM 17680 OH2 TIP3 5858 3.994 -0.549 -1.397 1.00 0.00 WT1 O ATOM 17681 H1 TIP3 5858 -17.985 3.610 0.895 1.00 0.00 WT1 H ATOM 17682 H2 TIP3 5858 2.568 -3.360 -4.599 1.00 0.00 WT1 H ATOM 17683 OH2 TIP3 5859 3.666 -2.612 0.041 1.00 0.00 WT1 O ATOM 17684 H1 TIP3 5859 5.200 -0.037 -5.020 1.00 0.00 WT1 H ATOM 17685 H2 TIP3 5859 10.819 3.134 2.611 1.00 0.00 WT1 H ATOM 17686 OH2 TIP3 5860 2.906 -2.296 1.024 1.00 0.00 WT1 O ATOM 17687 H1 TIP3 5860 14.365 -10.944 1.821 1.00 0.00 WT1 H ATOM 17688 H2 TIP3 5860 10.519 -2.464 -13.310 1.00 0.00 WT1 H ATOM 17689 OH2 TIP3 5861 -8.833 0.486 2.956 1.00 0.00 WT1 O ATOM 17690 H1 TIP3 5861 8.318 1.016 -6.185 1.00 0.00 WT1 H ATOM 17691 H2 TIP3 5861 15.432 -10.164 3.662 1.00 0.00 WT1 H ATOM 17692 OH2 TIP3 5862 2.301 -1.561 3.130 1.00 0.00 WT1 O ATOM 17693 H1 TIP3 5862 -7.120 3.043 8.687 1.00 0.00 WT1 H ATOM 17694 H2 TIP3 5862 17.539 -2.788 -14.346 1.00 0.00 WT1 H ATOM 17695 OH2 TIP3 5863 -4.465 -0.858 1.163 1.00 0.00 WT1 O ATOM 17696 H1 TIP3 5863 -7.384 14.792 13.371 1.00 0.00 WT1 H ATOM 17697 H2 TIP3 5863 -0.553 -2.450 5.048 1.00 0.00 WT1 H ATOM 17698 OH2 TIP3 5865 -5.017 3.277 -3.205 1.00 0.00 WT1 O ATOM 17699 H1 TIP3 5865 -0.385 14.292 4.373 1.00 0.00 WT1 H ATOM 17700 H2 TIP3 5865 4.359 -34.726 4.262 1.00 0.00 WT1 H ATOM 17701 OH2 TIP3 5866 5.509 -2.023 0.353 1.00 0.00 WT1 O ATOM 17702 H1 TIP3 5866 41.463 -2.092 3.646 1.00 0.00 WT1 H ATOM 17703 H2 TIP3 5866 2.448 -0.612 1.919 1.00 0.00 WT1 H ATOM 17704 OH2 TIP3 5867 1.792 -5.108 -5.347 1.00 0.00 WT1 O ATOM 17705 H1 TIP3 5867 15.080 33.780 -6.033 1.00 0.00 WT1 H ATOM 17706 H2 TIP3 5867 7.796 -14.171 -16.050 1.00 0.00 WT1 H ATOM 17707 OH2 TIP3 5868 -2.526 -6.543 5.492 1.00 0.00 WT1 O ATOM 17708 H1 TIP3 5868 10.977 14.656 3.454 1.00 0.00 WT1 H ATOM 17709 H2 TIP3 5868 -30.232 14.010 15.187 1.00 0.00 WT1 H ATOM 17710 OH2 TIP3 5869 -6.125 1.425 0.909 1.00 0.00 WT1 O ATOM 17711 H1 TIP3 5869 -12.510 0.726 -8.269 1.00 0.00 WT1 H ATOM 17712 H2 TIP3 5869 1.613 -5.526 -2.285 1.00 0.00 WT1 H ATOM 17713 OH2 TIP3 5871 4.715 -1.640 7.459 1.00 0.00 WT1 O ATOM 17714 H1 TIP3 5871 3.688 26.686 18.181 1.00 0.00 WT1 H ATOM 17715 H2 TIP3 5871 29.149 12.347 -11.566 1.00 0.00 WT1 H ATOM 17716 OH2 TIP3 5872 -2.525 -3.063 -3.063 1.00 0.00 WT1 O ATOM 17717 H1 TIP3 5872 14.618 6.055 7.750 1.00 0.00 WT1 H ATOM 17718 H2 TIP3 5872 24.460 4.836 -7.909 1.00 0.00 WT1 H ATOM 17719 OH2 TIP3 5873 -1.596 -10.948 -11.185 1.00 0.00 WT1 O ATOM 17720 H1 TIP3 5873 4.436 -7.500 4.462 1.00 0.00 WT1 H ATOM 17721 H2 TIP3 5873 -13.009 -10.412 -13.039 1.00 0.00 WT1 H ATOM 17722 OH2 TIP3 5874 0.596 9.081 -6.162 1.00 0.00 WT1 O ATOM 17723 H1 TIP3 5874 -0.551 -2.761 1.229 1.00 0.00 WT1 H ATOM 17724 H2 TIP3 5874 11.247 4.044 -0.851 1.00 0.00 WT1 H ATOM 17725 OH2 TIP3 5875 5.500 5.132 2.508 1.00 0.00 WT1 O ATOM 17726 H1 TIP3 5875 -7.963 -2.517 12.147 1.00 0.00 WT1 H ATOM 17727 H2 TIP3 5875 -1.134 22.030 -1.477 1.00 0.00 WT1 H ATOM 17728 OH2 TIP3 5876 3.093 7.517 -1.390 1.00 0.00 WT1 O ATOM 17729 H1 TIP3 5876 -5.061 -5.014 -5.838 1.00 0.00 WT1 H ATOM 17730 H2 TIP3 5876 -16.142 8.541 10.326 1.00 0.00 WT1 H ATOM 17731 OH2 TIP3 5877 3.556 -1.830 -0.892 1.00 0.00 WT1 O ATOM 17732 H1 TIP3 5877 0.526 2.482 -0.669 1.00 0.00 WT1 H ATOM 17733 H2 TIP3 5877 3.510 -0.090 -4.473 1.00 0.00 WT1 H ATOM 17734 OH2 TIP3 5878 -4.231 -3.840 2.995 1.00 0.00 WT1 O ATOM 17735 H1 TIP3 5878 -2.960 -2.486 9.964 1.00 0.00 WT1 H ATOM 17736 H2 TIP3 5878 -3.452 -3.086 5.034 1.00 0.00 WT1 H ATOM 17737 OH2 TIP3 5879 -0.200 5.642 0.239 1.00 0.00 WT1 O ATOM 17738 H1 TIP3 5879 -5.860 -18.858 1.364 1.00 0.00 WT1 H ATOM 17739 H2 TIP3 5879 14.077 7.772 20.437 1.00 0.00 WT1 H ATOM 17740 OH2 TIP3 5880 0.501 -0.974 -1.761 1.00 0.00 WT1 O ATOM 17741 H1 TIP3 5880 0.685 -14.780 -23.589 1.00 0.00 WT1 H ATOM 17742 H2 TIP3 5880 -3.449 -8.226 12.004 1.00 0.00 WT1 H ATOM 17743 OH2 TIP3 5881 2.387 -2.494 2.558 1.00 0.00 WT1 O ATOM 17744 H1 TIP3 5881 -14.935 -1.710 -8.598 1.00 0.00 WT1 H ATOM 17745 H2 TIP3 5881 -0.184 -18.508 10.013 1.00 0.00 WT1 H ATOM 17746 OH2 TIP3 5882 -4.856 3.246 0.394 1.00 0.00 WT1 O ATOM 17747 H1 TIP3 5882 -3.007 -10.194 7.369 1.00 0.00 WT1 H ATOM 17748 H2 TIP3 5882 -10.882 5.714 -5.789 1.00 0.00 WT1 H ATOM 17749 OH2 TIP3 5883 1.398 -6.186 3.903 1.00 0.00 WT1 O ATOM 17750 H1 TIP3 5883 17.893 16.356 -1.282 1.00 0.00 WT1 H ATOM 17751 H2 TIP3 5883 -6.348 -39.073 -21.213 1.00 0.00 WT1 H ATOM 17752 OH2 TIP3 5884 -0.983 0.335 3.818 1.00 0.00 WT1 O ATOM 17753 H1 TIP3 5884 -1.806 2.884 -2.266 1.00 0.00 WT1 H ATOM 17754 H2 TIP3 5884 -5.273 2.626 6.530 1.00 0.00 WT1 H ATOM 17755 OH2 TIP3 5885 -4.299 -0.036 -1.107 1.00 0.00 WT1 O ATOM 17756 H1 TIP3 5885 -2.402 -4.203 0.496 1.00 0.00 WT1 H ATOM 17757 H2 TIP3 5885 -1.912 -9.780 -1.801 1.00 0.00 WT1 H ATOM 17758 OH2 TIP3 5886 5.673 -0.729 1.563 1.00 0.00 WT1 O ATOM 17759 H1 TIP3 5886 20.914 4.022 6.706 1.00 0.00 WT1 H ATOM 17760 H2 TIP3 5886 -6.735 -0.223 -2.571 1.00 0.00 WT1 H ATOM 17761 OH2 TIP3 5887 2.694 4.708 -3.688 1.00 0.00 WT1 O ATOM 17762 H1 TIP3 5887 -5.206 26.051 -12.613 1.00 0.00 WT1 H ATOM 17763 H2 TIP3 5887 10.116 -1.308 -15.243 1.00 0.00 WT1 H ATOM 17764 OH2 TIP3 5888 7.624 2.180 2.558 1.00 0.00 WT1 O ATOM 17765 H1 TIP3 5888 13.625 -2.714 -5.851 1.00 0.00 WT1 H ATOM 17766 H2 TIP3 5888 9.563 -15.134 1.911 1.00 0.00 WT1 H ATOM 17767 OH2 TIP3 5889 -1.001 -1.608 -1.998 1.00 0.00 WT1 O ATOM 17768 H1 TIP3 5889 -0.516 0.690 -0.688 1.00 0.00 WT1 H ATOM 17769 H2 TIP3 5889 -1.039 -0.213 -1.020 1.00 0.00 WT1 H ATOM 17770 OH2 TIP3 5890 -3.476 6.448 1.500 1.00 0.00 WT1 O ATOM 17771 H1 TIP3 5890 -5.965 7.223 12.288 1.00 0.00 WT1 H ATOM 17772 H2 TIP3 5890 -0.888 0.254 -10.063 1.00 0.00 WT1 H ATOM 17773 OH2 TIP3 5891 -3.108 4.605 5.916 1.00 0.00 WT1 O ATOM 17774 H1 TIP3 5891 16.729 10.043 -5.200 1.00 0.00 WT1 H ATOM 17775 H2 TIP3 5891 -8.972 -0.934 -3.705 1.00 0.00 WT1 H ATOM 17776 OH2 TIP3 5893 -5.968 3.484 6.958 1.00 0.00 WT1 O ATOM 17777 H1 TIP3 5893 -25.497 23.814 3.414 1.00 0.00 WT1 H ATOM 17778 H2 TIP3 5893 0.747 -11.125 -9.571 1.00 0.00 WT1 H ATOM 17779 OH2 TIP3 5894 7.499 2.426 -9.334 1.00 0.00 WT1 O ATOM 17780 H1 TIP3 5894 8.732 28.876 -4.062 1.00 0.00 WT1 H ATOM 17781 H2 TIP3 5894 -20.799 2.432 -32.202 1.00 0.00 WT1 H ATOM 17782 OH2 TIP3 5896 4.226 -10.847 2.223 1.00 0.00 WT1 O ATOM 17783 H1 TIP3 5896 -10.188 -17.556 17.622 1.00 0.00 WT1 H ATOM 17784 H2 TIP3 5896 9.783 14.260 14.820 1.00 0.00 WT1 H ATOM 17785 OH2 TIP3 5897 0.690 2.390 2.125 1.00 0.00 WT1 O ATOM 17786 H1 TIP3 5897 -18.626 -23.447 13.802 1.00 0.00 WT1 H ATOM 17787 H2 TIP3 5897 13.428 -8.987 7.344 1.00 0.00 WT1 H ATOM 17788 OH2 TIP3 5898 -0.182 -2.958 -2.063 1.00 0.00 WT1 O ATOM 17789 H1 TIP3 5898 0.973 -2.077 -1.197 1.00 0.00 WT1 H ATOM 17790 H2 TIP3 5898 2.876 -2.979 2.414 1.00 0.00 WT1 H ATOM 17791 OH2 TIP3 5899 -1.666 -3.175 -5.479 1.00 0.00 WT1 O ATOM 17792 H1 TIP3 5899 -5.153 13.688 11.152 1.00 0.00 WT1 H ATOM 17793 H2 TIP3 5899 15.271 -8.598 12.627 1.00 0.00 WT1 H ATOM 17794 OH2 TIP3 5900 -1.667 -1.542 -0.144 1.00 0.00 WT1 O ATOM 17795 H1 TIP3 5900 -16.012 -2.929 -3.441 1.00 0.00 WT1 H ATOM 17796 H2 TIP3 5900 -6.418 15.873 6.801 1.00 0.00 WT1 H ATOM 17797 OH2 TIP3 5901 -0.857 -10.611 2.828 1.00 0.00 WT1 O ATOM 17798 H1 TIP3 5901 -16.097 -20.321 -35.311 1.00 0.00 WT1 H ATOM 17799 H2 TIP3 5901 -3.227 3.139 -6.789 1.00 0.00 WT1 H ATOM 17800 OH2 TIP3 5902 -1.318 -4.659 -8.137 1.00 0.00 WT1 O ATOM 17801 H1 TIP3 5902 -26.589 -17.037 -10.411 1.00 0.00 WT1 H ATOM 17802 H2 TIP3 5902 15.602 9.784 22.634 1.00 0.00 WT1 H ATOM 17803 OH2 TIP3 5903 2.292 -5.452 -3.187 1.00 0.00 WT1 O ATOM 17804 H1 TIP3 5903 8.120 -25.124 -4.431 1.00 0.00 WT1 H ATOM 17805 H2 TIP3 5903 22.137 -2.034 -25.021 1.00 0.00 WT1 H ATOM 17806 OH2 TIP3 5904 -9.145 -2.685 5.951 1.00 0.00 WT1 O ATOM 17807 H1 TIP3 5904 7.030 -4.817 2.213 1.00 0.00 WT1 H ATOM 17808 H2 TIP3 5904 -5.882 -4.562 1.099 1.00 0.00 WT1 H ATOM 17809 OH2 TIP3 5906 3.777 -4.834 -2.454 1.00 0.00 WT1 O ATOM 17810 H1 TIP3 5906 16.101 10.616 18.620 1.00 0.00 WT1 H ATOM 17811 H2 TIP3 5906 -12.492 9.563 -4.953 1.00 0.00 WT1 H ATOM 17812 OH2 TIP3 5907 0.690 1.154 0.343 1.00 0.00 WT1 O ATOM 17813 H1 TIP3 5907 15.151 9.755 -7.000 1.00 0.00 WT1 H ATOM 17814 H2 TIP3 5907 0.199 -10.856 -7.607 1.00 0.00 WT1 H ATOM 17815 OH2 TIP3 5909 3.224 2.556 -3.710 1.00 0.00 WT1 O ATOM 17816 H1 TIP3 5909 6.341 -1.445 -5.233 1.00 0.00 WT1 H ATOM 17817 H2 TIP3 5909 14.383 -1.745 -14.406 1.00 0.00 WT1 H ATOM 17818 OH2 TIP3 5911 -1.006 -3.155 -2.678 1.00 0.00 WT1 O ATOM 17819 H1 TIP3 5911 -0.090 16.593 14.793 1.00 0.00 WT1 H ATOM 17820 H2 TIP3 5911 18.122 -11.264 7.101 1.00 0.00 WT1 H ATOM 17821 OH2 TIP3 5912 1.651 -3.001 -3.853 1.00 0.00 WT1 O ATOM 17822 H1 TIP3 5912 -5.976 -11.929 9.560 1.00 0.00 WT1 H ATOM 17823 H2 TIP3 5912 -10.088 -11.799 13.338 1.00 0.00 WT1 H ATOM 17824 OH2 TIP3 5914 -1.703 0.567 -2.151 1.00 0.00 WT1 O ATOM 17825 H1 TIP3 5914 -10.849 -4.582 -6.859 1.00 0.00 WT1 H ATOM 17826 H2 TIP3 5914 -0.214 8.918 4.678 1.00 0.00 WT1 H ATOM 17827 OH2 TIP3 5915 0.788 -0.771 -2.832 1.00 0.00 WT1 O ATOM 17828 H1 TIP3 5915 -4.341 -0.703 -11.425 1.00 0.00 WT1 H ATOM 17829 H2 TIP3 5915 5.658 5.158 1.206 1.00 0.00 WT1 H ATOM 17830 OH2 TIP3 5916 -3.029 -1.122 9.118 1.00 0.00 WT1 O ATOM 17831 H1 TIP3 5916 2.928 1.610 10.046 1.00 0.00 WT1 H ATOM 17832 H2 TIP3 5916 -12.816 -8.394 7.108 1.00 0.00 WT1 H ATOM 17833 OH2 TIP3 5917 1.459 -6.110 1.332 1.00 0.00 WT1 O ATOM 17834 H1 TIP3 5917 2.645 15.235 -2.558 1.00 0.00 WT1 H ATOM 17835 H2 TIP3 5917 10.022 -5.049 -7.778 1.00 0.00 WT1 H ATOM 17836 OH2 TIP3 5919 -3.646 -3.999 -1.315 1.00 0.00 WT1 O ATOM 17837 H1 TIP3 5919 4.669 -3.274 4.968 1.00 0.00 WT1 H ATOM 17838 H2 TIP3 5919 -5.085 -5.587 9.485 1.00 0.00 WT1 H ATOM 17839 OH2 TIP3 5920 1.951 1.295 0.851 1.00 0.00 WT1 O ATOM 17840 H1 TIP3 5920 18.084 12.207 -13.170 1.00 0.00 WT1 H ATOM 17841 H2 TIP3 5920 -29.139 21.539 5.935 1.00 0.00 WT1 H ATOM 17842 OH2 TIP3 5921 1.453 1.462 0.880 1.00 0.00 WT1 O ATOM 17843 H1 TIP3 5921 -8.081 0.711 7.116 1.00 0.00 WT1 H ATOM 17844 H2 TIP3 5921 2.043 -9.414 0.928 1.00 0.00 WT1 H ATOM 17845 OH2 TIP3 5923 -5.389 -1.663 -2.043 1.00 0.00 WT1 O ATOM 17846 H1 TIP3 5923 -14.730 -24.203 -1.424 1.00 0.00 WT1 H ATOM 17847 H2 TIP3 5923 -3.276 6.775 5.769 1.00 0.00 WT1 H ATOM 17848 OH2 TIP3 5924 -6.754 -5.227 7.511 1.00 0.00 WT1 O ATOM 17849 H1 TIP3 5924 16.256 -27.581 -20.805 1.00 0.00 WT1 H ATOM 17850 H2 TIP3 5924 -0.390 -8.169 1.066 1.00 0.00 WT1 H ATOM 17851 OH2 TIP3 5925 -0.423 5.306 -1.308 1.00 0.00 WT1 O ATOM 17852 H1 TIP3 5925 8.878 -7.830 0.371 1.00 0.00 WT1 H ATOM 17853 H2 TIP3 5925 3.944 3.892 -4.700 1.00 0.00 WT1 H ATOM 17854 OH2 TIP3 5926 2.664 -1.516 1.681 1.00 0.00 WT1 O ATOM 17855 H1 TIP3 5926 0.197 -20.817 7.966 1.00 0.00 WT1 H ATOM 17856 H2 TIP3 5926 -4.428 11.312 -16.052 1.00 0.00 WT1 H ATOM 17857 OH2 TIP3 5927 -0.090 1.487 -4.068 1.00 0.00 WT1 O ATOM 17858 H1 TIP3 5927 5.426 9.523 -15.276 1.00 0.00 WT1 H ATOM 17859 H2 TIP3 5927 -6.137 7.347 2.970 1.00 0.00 WT1 H ATOM 17860 OH2 TIP3 5928 1.914 4.443 0.068 1.00 0.00 WT1 O ATOM 17861 H1 TIP3 5928 31.533 -8.367 14.828 1.00 0.00 WT1 H ATOM 17862 H2 TIP3 5928 -15.501 7.276 10.102 1.00 0.00 WT1 H ATOM 17863 OH2 TIP3 5929 0.903 -4.094 3.644 1.00 0.00 WT1 O ATOM 17864 H1 TIP3 5929 9.174 11.060 -0.166 1.00 0.00 WT1 H ATOM 17865 H2 TIP3 5929 8.387 -9.301 11.532 1.00 0.00 WT1 H ATOM 17866 OH2 TIP3 5930 -3.570 2.437 2.268 1.00 0.00 WT1 O ATOM 17867 H1 TIP3 5930 1.744 -4.770 8.646 1.00 0.00 WT1 H ATOM 17868 H2 TIP3 5930 -0.337 -1.557 5.626 1.00 0.00 WT1 H ATOM 17869 OH2 TIP3 5931 -2.659 3.966 1.335 1.00 0.00 WT1 O ATOM 17870 H1 TIP3 5931 5.263 -2.423 -5.021 1.00 0.00 WT1 H ATOM 17871 H2 TIP3 5931 -15.889 19.380 5.454 1.00 0.00 WT1 H ATOM 17872 OH2 TIP3 5932 -3.149 5.064 -4.358 1.00 0.00 WT1 O ATOM 17873 H1 TIP3 5932 -18.063 5.675 -16.729 1.00 0.00 WT1 H ATOM 17874 H2 TIP3 5932 -10.763 -14.492 -9.911 1.00 0.00 WT1 H ATOM 17875 OH2 TIP3 5934 -1.124 -6.552 6.972 1.00 0.00 WT1 O ATOM 17876 H1 TIP3 5934 -4.549 -34.590 -0.234 1.00 0.00 WT1 H ATOM 17877 H2 TIP3 5934 0.137 7.240 -18.340 1.00 0.00 WT1 H ATOM 17878 OH2 TIP3 5936 1.371 -2.308 1.586 1.00 0.00 WT1 O ATOM 17879 H1 TIP3 5936 -1.271 0.898 1.697 1.00 0.00 WT1 H ATOM 17880 H2 TIP3 5936 -19.080 22.580 -0.973 1.00 0.00 WT1 H ATOM 17881 OH2 TIP3 5937 -5.880 2.292 -1.244 1.00 0.00 WT1 O ATOM 17882 H1 TIP3 5937 -13.967 -1.150 -6.295 1.00 0.00 WT1 H ATOM 17883 H2 TIP3 5937 -31.518 4.974 0.218 1.00 0.00 WT1 H ATOM 17884 OH2 TIP3 5939 5.351 -1.497 -6.971 1.00 0.00 WT1 O ATOM 17885 H1 TIP3 5939 12.540 10.820 -10.966 1.00 0.00 WT1 H ATOM 17886 H2 TIP3 5939 15.158 -8.857 1.352 1.00 0.00 WT1 H ATOM 17887 OH2 TIP3 5941 -4.098 -2.861 -0.202 1.00 0.00 WT1 O ATOM 17888 H1 TIP3 5941 -8.361 -5.536 1.039 1.00 0.00 WT1 H ATOM 17889 H2 TIP3 5941 -18.638 -30.995 8.530 1.00 0.00 WT1 H ATOM 17890 OH2 TIP3 5942 1.002 -0.875 -1.875 1.00 0.00 WT1 O ATOM 17891 H1 TIP3 5942 -3.075 7.561 -2.776 1.00 0.00 WT1 H ATOM 17892 H2 TIP3 5942 5.707 -11.440 -14.073 1.00 0.00 WT1 H ATOM 17893 OH2 TIP3 5943 5.934 1.818 -3.331 1.00 0.00 WT1 O ATOM 17894 H1 TIP3 5943 -0.980 -10.282 32.164 1.00 0.00 WT1 H ATOM 17895 H2 TIP3 5943 -1.987 14.047 -18.841 1.00 0.00 WT1 H ATOM 17896 OH2 TIP3 5944 4.346 0.060 3.784 1.00 0.00 WT1 O ATOM 17897 H1 TIP3 5944 -6.265 0.424 9.954 1.00 0.00 WT1 H ATOM 17898 H2 TIP3 5944 14.160 13.674 -6.841 1.00 0.00 WT1 H ATOM 17899 OH2 TIP3 5945 -1.288 0.748 3.697 1.00 0.00 WT1 O ATOM 17900 H1 TIP3 5945 -12.793 -3.609 20.702 1.00 0.00 WT1 H ATOM 17901 H2 TIP3 5945 1.345 -18.106 -4.950 1.00 0.00 WT1 H ATOM 17902 OH2 TIP3 5946 -1.451 0.176 -0.015 1.00 0.00 WT1 O ATOM 17903 H1 TIP3 5946 1.600 1.367 3.938 1.00 0.00 WT1 H ATOM 17904 H2 TIP3 5946 -10.073 -3.461 -16.391 1.00 0.00 WT1 H ATOM 17905 OH2 TIP3 5947 -4.553 2.249 1.086 1.00 0.00 WT1 O ATOM 17906 H1 TIP3 5947 7.417 9.502 -0.902 1.00 0.00 WT1 H ATOM 17907 H2 TIP3 5947 6.177 9.697 2.769 1.00 0.00 WT1 H ATOM 17908 OH2 TIP3 5948 -4.016 6.525 0.686 1.00 0.00 WT1 O ATOM 17909 H1 TIP3 5948 18.393 5.615 -0.105 1.00 0.00 WT1 H ATOM 17910 H2 TIP3 5948 2.371 7.443 14.582 1.00 0.00 WT1 H ATOM 17911 OH2 TIP3 5949 0.295 -0.635 0.670 1.00 0.00 WT1 O ATOM 17912 H1 TIP3 5949 5.086 3.862 -0.850 1.00 0.00 WT1 H ATOM 17913 H2 TIP3 5949 -2.693 1.582 -11.648 1.00 0.00 WT1 H ATOM 17914 OH2 TIP3 5950 -4.505 3.559 -3.905 1.00 0.00 WT1 O ATOM 17915 H1 TIP3 5950 0.767 0.019 -4.954 1.00 0.00 WT1 H ATOM 17916 H2 TIP3 5950 21.135 -11.059 -17.286 1.00 0.00 WT1 H ATOM 17917 OH2 TIP3 5951 1.462 3.082 -0.548 1.00 0.00 WT1 O ATOM 17918 H1 TIP3 5951 -25.171 1.170 16.939 1.00 0.00 WT1 H ATOM 17919 H2 TIP3 5951 6.111 -5.052 0.651 1.00 0.00 WT1 H ATOM 17920 OH2 TIP3 5952 -1.557 0.977 -2.978 1.00 0.00 WT1 O ATOM 17921 H1 TIP3 5952 -7.290 -1.234 -5.877 1.00 0.00 WT1 H ATOM 17922 H2 TIP3 5952 -5.161 -0.965 -23.505 1.00 0.00 WT1 H ATOM 17923 OH2 TIP3 5953 -1.485 8.154 0.620 1.00 0.00 WT1 O ATOM 17924 H1 TIP3 5953 2.952 0.848 -1.645 1.00 0.00 WT1 H ATOM 17925 H2 TIP3 5953 -13.005 21.913 -0.717 1.00 0.00 WT1 H ATOM 17926 OH2 TIP3 5954 -6.596 -3.322 1.282 1.00 0.00 WT1 O ATOM 17927 H1 TIP3 5954 1.228 -10.153 16.448 1.00 0.00 WT1 H ATOM 17928 H2 TIP3 5954 0.048 4.717 -11.428 1.00 0.00 WT1 H ATOM 17929 OH2 TIP3 5955 1.162 3.771 4.771 1.00 0.00 WT1 O ATOM 17930 H1 TIP3 5955 22.895 7.534 2.849 1.00 0.00 WT1 H ATOM 17931 H2 TIP3 5955 -22.362 16.085 1.855 1.00 0.00 WT1 H ATOM 17932 OH2 TIP3 5956 -0.702 -0.106 4.328 1.00 0.00 WT1 O ATOM 17933 H1 TIP3 5956 -15.508 0.873 -2.388 1.00 0.00 WT1 H ATOM 17934 H2 TIP3 5956 -12.290 -0.398 12.765 1.00 0.00 WT1 H ATOM 17935 OH2 TIP3 5957 -1.848 -1.843 1.617 1.00 0.00 WT1 O ATOM 17936 H1 TIP3 5957 -11.795 -4.046 22.275 1.00 0.00 WT1 H ATOM 17937 H2 TIP3 5957 -5.207 4.100 -14.741 1.00 0.00 WT1 H ATOM 17938 OH2 TIP3 5958 -5.069 4.143 1.120 1.00 0.00 WT1 O ATOM 17939 H1 TIP3 5958 -1.776 8.819 5.822 1.00 0.00 WT1 H ATOM 17940 H2 TIP3 5958 -1.484 1.816 -6.253 1.00 0.00 WT1 H ATOM 17941 OH2 TIP3 5959 2.037 -2.828 3.010 1.00 0.00 WT1 O ATOM 17942 H1 TIP3 5959 -3.944 -10.907 14.914 1.00 0.00 WT1 H ATOM 17943 H2 TIP3 5959 5.817 2.631 -6.339 1.00 0.00 WT1 H ATOM 17944 OH2 TIP3 5960 2.035 -0.242 2.051 1.00 0.00 WT1 O ATOM 17945 H1 TIP3 5960 23.348 -23.646 -1.927 1.00 0.00 WT1 H ATOM 17946 H2 TIP3 5960 -14.331 24.553 14.661 1.00 0.00 WT1 H ATOM 17947 OH2 TIP3 5961 2.815 8.769 -2.238 1.00 0.00 WT1 O ATOM 17948 H1 TIP3 5961 -7.713 -2.376 14.265 1.00 0.00 WT1 H ATOM 17949 H2 TIP3 5961 -3.170 -5.816 10.087 1.00 0.00 WT1 H ATOM 17950 OH2 TIP3 5963 -3.097 -1.059 -0.668 1.00 0.00 WT1 O ATOM 17951 H1 TIP3 5963 -0.060 21.805 -15.921 1.00 0.00 WT1 H ATOM 17952 H2 TIP3 5963 0.051 12.805 12.882 1.00 0.00 WT1 H ATOM 17953 OH2 TIP3 5965 0.763 -2.844 1.710 1.00 0.00 WT1 O ATOM 17954 H1 TIP3 5965 7.950 5.080 -0.693 1.00 0.00 WT1 H ATOM 17955 H2 TIP3 5965 3.738 -8.872 4.851 1.00 0.00 WT1 H ATOM 17956 OH2 TIP3 5966 1.635 -2.031 -1.022 1.00 0.00 WT1 O ATOM 17957 H1 TIP3 5966 -14.841 -1.924 8.418 1.00 0.00 WT1 H ATOM 17958 H2 TIP3 5966 6.960 -12.772 37.072 1.00 0.00 WT1 H ATOM 17959 OH2 TIP3 5968 -5.895 0.592 -1.353 1.00 0.00 WT1 O ATOM 17960 H1 TIP3 5968 3.194 34.514 -2.887 1.00 0.00 WT1 H ATOM 17961 H2 TIP3 5968 -15.101 -18.984 9.290 1.00 0.00 WT1 H ATOM 17962 OH2 TIP3 5969 1.095 1.000 -2.416 1.00 0.00 WT1 O ATOM 17963 H1 TIP3 5969 5.622 10.868 0.020 1.00 0.00 WT1 H ATOM 17964 H2 TIP3 5969 6.623 3.522 -23.374 1.00 0.00 WT1 H ATOM 17965 OH2 TIP3 5970 6.857 -4.990 -0.722 1.00 0.00 WT1 O ATOM 17966 H1 TIP3 5970 7.733 -12.669 5.401 1.00 0.00 WT1 H ATOM 17967 H2 TIP3 5970 7.749 -6.245 7.217 1.00 0.00 WT1 H ATOM 17968 OH2 TIP3 5971 -1.409 6.696 -0.352 1.00 0.00 WT1 O ATOM 17969 H1 TIP3 5971 9.347 2.616 -1.964 1.00 0.00 WT1 H ATOM 17970 H2 TIP3 5971 -6.174 12.203 1.367 1.00 0.00 WT1 H ATOM 17971 OH2 TIP3 5972 -5.502 -2.824 8.920 1.00 0.00 WT1 O ATOM 17972 H1 TIP3 5972 -11.469 -23.889 1.241 1.00 0.00 WT1 H ATOM 17973 H2 TIP3 5972 -21.003 4.884 -17.776 1.00 0.00 WT1 H ATOM 17974 OH2 TIP3 5973 -4.808 6.384 -3.323 1.00 0.00 WT1 O ATOM 17975 H1 TIP3 5973 8.956 16.901 32.477 1.00 0.00 WT1 H ATOM 17976 H2 TIP3 5973 4.413 -18.543 -14.959 1.00 0.00 WT1 H ATOM 17977 OH2 TIP3 5974 -3.626 6.032 1.084 1.00 0.00 WT1 O ATOM 17978 H1 TIP3 5974 2.597 16.676 3.042 1.00 0.00 WT1 H ATOM 17979 H2 TIP3 5974 -8.582 7.491 -10.985 1.00 0.00 WT1 H ATOM 17980 OH2 TIP3 5975 -8.385 6.725 1.237 1.00 0.00 WT1 O ATOM 17981 H1 TIP3 5975 11.308 -19.415 -3.790 1.00 0.00 WT1 H ATOM 17982 H2 TIP3 5975 -13.704 7.766 -2.664 1.00 0.00 WT1 H ATOM 17983 OH2 TIP3 5977 3.557 0.969 3.345 1.00 0.00 WT1 O ATOM 17984 H1 TIP3 5977 14.830 -13.307 2.766 1.00 0.00 WT1 H ATOM 17985 H2 TIP3 5977 -6.405 1.257 3.268 1.00 0.00 WT1 H ATOM 17986 OH2 TIP3 5978 1.972 -0.434 6.579 1.00 0.00 WT1 O ATOM 17987 H1 TIP3 5978 0.168 -19.596 -3.766 1.00 0.00 WT1 H ATOM 17988 H2 TIP3 5978 19.838 1.585 27.065 1.00 0.00 WT1 H ATOM 17989 OH2 TIP3 5979 6.580 -0.671 -0.855 1.00 0.00 WT1 O ATOM 17990 H1 TIP3 5979 11.414 1.471 -5.386 1.00 0.00 WT1 H ATOM 17991 H2 TIP3 5979 -4.010 3.755 -8.468 1.00 0.00 WT1 H ATOM 17992 OH2 TIP3 5980 -0.967 0.810 1.598 1.00 0.00 WT1 O ATOM 17993 H1 TIP3 5980 -11.035 15.085 12.177 1.00 0.00 WT1 H ATOM 17994 H2 TIP3 5980 -11.287 19.086 12.163 1.00 0.00 WT1 H ATOM 17995 OH2 TIP3 5981 1.458 -0.688 0.388 1.00 0.00 WT1 O ATOM 17996 H1 TIP3 5981 -16.959 -5.285 14.671 1.00 0.00 WT1 H ATOM 17997 H2 TIP3 5981 15.349 12.192 -8.747 1.00 0.00 WT1 H ATOM 17998 OH2 TIP3 5982 -1.679 -3.458 -2.043 1.00 0.00 WT1 O ATOM 17999 H1 TIP3 5982 1.190 11.609 1.193 1.00 0.00 WT1 H ATOM 18000 H2 TIP3 5982 -17.133 -3.579 5.343 1.00 0.00 WT1 H ATOM 18001 OH2 TIP3 5983 -1.747 -1.625 2.627 1.00 0.00 WT1 O ATOM 18002 H1 TIP3 5983 5.471 7.832 -1.390 1.00 0.00 WT1 H ATOM 18003 H2 TIP3 5983 -5.112 -27.844 -44.372 1.00 0.00 WT1 H ATOM 18004 OH2 TIP3 5986 -0.198 0.641 0.465 1.00 0.00 WT1 O ATOM 18005 H1 TIP3 5986 1.685 -0.712 -1.115 1.00 0.00 WT1 H ATOM 18006 H2 TIP3 5986 17.261 -4.436 -4.547 1.00 0.00 WT1 H ATOM 18007 OH2 TIP3 5987 0.396 -3.072 -5.868 1.00 0.00 WT1 O ATOM 18008 H1 TIP3 5987 -4.050 -1.897 -4.977 1.00 0.00 WT1 H ATOM 18009 H2 TIP3 5987 0.448 3.578 -8.898 1.00 0.00 WT1 H ATOM 18010 OH2 TIP3 5988 1.295 -1.736 -5.985 1.00 0.00 WT1 O ATOM 18011 H1 TIP3 5988 -13.440 4.343 -4.666 1.00 0.00 WT1 H ATOM 18012 H2 TIP3 5988 11.276 7.549 3.408 1.00 0.00 WT1 H ATOM 18013 OH2 TIP3 5989 -2.079 4.806 -0.429 1.00 0.00 WT1 O ATOM 18014 H1 TIP3 5989 0.119 -20.868 -8.579 1.00 0.00 WT1 H ATOM 18015 H2 TIP3 5989 -2.039 -9.975 -6.558 1.00 0.00 WT1 H ATOM 18016 OH2 TIP3 5990 -5.438 -8.807 -2.478 1.00 0.00 WT1 O ATOM 18017 H1 TIP3 5990 9.186 3.533 30.284 1.00 0.00 WT1 H ATOM 18018 H2 TIP3 5990 20.052 8.862 -26.961 1.00 0.00 WT1 H ATOM 18019 OH2 TIP3 5991 -3.698 -2.103 -3.062 1.00 0.00 WT1 O ATOM 18020 H1 TIP3 5991 10.157 -16.835 -9.765 1.00 0.00 WT1 H ATOM 18021 H2 TIP3 5991 8.073 8.282 -0.147 1.00 0.00 WT1 H ATOM 18022 OH2 TIP3 5992 -1.197 -0.073 2.526 1.00 0.00 WT1 O ATOM 18023 H1 TIP3 5992 -0.936 -3.483 -5.868 1.00 0.00 WT1 H ATOM 18024 H2 TIP3 5992 -3.126 -6.623 9.886 1.00 0.00 WT1 H ATOM 18025 OH2 TIP3 5993 1.145 -4.649 6.693 1.00 0.00 WT1 O ATOM 18026 H1 TIP3 5993 11.453 0.991 2.052 1.00 0.00 WT1 H ATOM 18027 H2 TIP3 5993 9.831 -14.660 18.909 1.00 0.00 WT1 H ATOM 18028 OH2 TIP3 5994 4.765 -1.008 1.304 1.00 0.00 WT1 O ATOM 18029 H1 TIP3 5994 14.412 -2.387 -18.741 1.00 0.00 WT1 H ATOM 18030 H2 TIP3 5994 -0.118 2.946 18.382 1.00 0.00 WT1 H ATOM 18031 OH2 TIP3 5995 -1.246 5.597 0.796 1.00 0.00 WT1 O ATOM 18032 H1 TIP3 5995 5.259 -6.794 -5.026 1.00 0.00 WT1 H ATOM 18033 H2 TIP3 5995 4.536 16.497 -6.919 1.00 0.00 WT1 H ATOM 18034 OH2 TIP3 5996 1.088 2.807 -0.633 1.00 0.00 WT1 O ATOM 18035 H1 TIP3 5996 -0.929 6.725 16.742 1.00 0.00 WT1 H ATOM 18036 H2 TIP3 5996 -8.192 -5.165 -10.185 1.00 0.00 WT1 H ATOM 18037 OH2 TIP3 5997 -7.933 -0.678 -5.530 1.00 0.00 WT1 O ATOM 18038 H1 TIP3 5997 -8.229 -1.887 -5.185 1.00 0.00 WT1 H ATOM 18039 H2 TIP3 5997 -6.995 -1.115 -4.965 1.00 0.00 WT1 H ATOM 18040 OH2 TIP3 5998 1.256 2.492 11.532 1.00 0.00 WT1 O ATOM 18041 H1 TIP3 5998 19.417 6.657 1.665 1.00 0.00 WT1 H ATOM 18042 H2 TIP3 5998 -5.424 3.276 4.862 1.00 0.00 WT1 H ATOM 18043 OH2 TIP3 5999 0.074 3.528 2.895 1.00 0.00 WT1 O ATOM 18044 H1 TIP3 5999 -4.524 -0.187 -9.592 1.00 0.00 WT1 H ATOM 18045 H2 TIP3 5999 -10.925 -3.918 -2.306 1.00 0.00 WT1 H ATOM 18046 OH2 TIP3 6001 2.590 -2.856 -1.460 1.00 0.00 WT1 O ATOM 18047 H1 TIP3 6001 5.117 -4.361 3.797 1.00 0.00 WT1 H ATOM 18048 H2 TIP3 6001 4.658 3.259 -3.627 1.00 0.00 WT1 H ATOM 18049 OH2 TIP3 6004 3.621 -2.893 4.246 1.00 0.00 WT1 O ATOM 18050 H1 TIP3 6004 -6.573 -1.852 6.860 1.00 0.00 WT1 H ATOM 18051 H2 TIP3 6004 10.873 7.372 -12.434 1.00 0.00 WT1 H ATOM 18052 OH2 TIP3 6006 0.827 -0.776 3.007 1.00 0.00 WT1 O ATOM 18053 H1 TIP3 6006 -5.258 -3.669 3.394 1.00 0.00 WT1 H ATOM 18054 H2 TIP3 6006 15.044 7.292 -6.904 1.00 0.00 WT1 H ATOM 18055 OH2 TIP3 6007 -1.247 -10.914 -4.619 1.00 0.00 WT1 O ATOM 18056 H1 TIP3 6007 12.788 -17.535 -13.105 1.00 0.00 WT1 H ATOM 18057 H2 TIP3 6007 -0.843 10.005 -8.176 1.00 0.00 WT1 H ATOM 18058 OH2 TIP3 6009 -5.724 0.767 -1.938 1.00 0.00 WT1 O ATOM 18059 H1 TIP3 6009 1.043 -4.554 -26.269 1.00 0.00 WT1 H ATOM 18060 H2 TIP3 6009 7.930 1.683 0.856 1.00 0.00 WT1 H ATOM 18061 OH2 TIP3 6011 -3.814 7.479 1.852 1.00 0.00 WT1 O ATOM 18062 H1 TIP3 6011 -23.245 19.163 -12.005 1.00 0.00 WT1 H ATOM 18063 H2 TIP3 6011 15.316 -14.700 -3.268 1.00 0.00 WT1 H ATOM 18064 OH2 TIP3 6013 -1.017 3.277 5.153 1.00 0.00 WT1 O ATOM 18065 H1 TIP3 6013 4.515 -15.085 4.147 1.00 0.00 WT1 H ATOM 18066 H2 TIP3 6013 0.608 10.518 8.690 1.00 0.00 WT1 H ATOM 18067 OH2 TIP3 6014 3.449 -0.920 4.877 1.00 0.00 WT1 O ATOM 18068 H1 TIP3 6014 2.320 8.116 16.955 1.00 0.00 WT1 H ATOM 18069 H2 TIP3 6014 8.072 3.075 15.904 1.00 0.00 WT1 H ATOM 18070 OH2 TIP3 6015 -7.299 -4.360 4.367 1.00 0.00 WT1 O ATOM 18071 H1 TIP3 6015 -7.796 -4.426 3.310 1.00 0.00 WT1 H ATOM 18072 H2 TIP3 6015 -0.086 -10.289 -31.990 1.00 0.00 WT1 H ATOM 18073 OH2 TIP3 6016 -2.806 0.041 2.381 1.00 0.00 WT1 O ATOM 18074 H1 TIP3 6016 -12.957 -2.947 9.396 1.00 0.00 WT1 H ATOM 18075 H2 TIP3 6016 5.530 1.355 -12.457 1.00 0.00 WT1 H ATOM 18076 OH2 TIP3 6018 0.012 4.581 -9.470 1.00 0.00 WT1 O ATOM 18077 H1 TIP3 6018 -1.429 10.659 -12.299 1.00 0.00 WT1 H ATOM 18078 H2 TIP3 6018 -0.104 7.622 -18.446 1.00 0.00 WT1 H ATOM 18079 OH2 TIP3 6019 -4.963 -5.527 -5.344 1.00 0.00 WT1 O ATOM 18080 H1 TIP3 6019 -10.271 13.951 -17.155 1.00 0.00 WT1 H ATOM 18081 H2 TIP3 6019 -21.472 -22.761 -11.741 1.00 0.00 WT1 H ATOM 18082 OH2 TIP3 6020 2.482 9.476 -1.879 1.00 0.00 WT1 O ATOM 18083 H1 TIP3 6020 5.413 -25.529 -16.079 1.00 0.00 WT1 H ATOM 18084 H2 TIP3 6020 1.481 22.874 -4.139 1.00 0.00 WT1 H ATOM 18085 OH2 TIP3 6021 -1.099 2.237 1.077 1.00 0.00 WT1 O ATOM 18086 H1 TIP3 6021 -5.315 -11.095 4.724 1.00 0.00 WT1 H ATOM 18087 H2 TIP3 6021 0.410 2.452 2.781 1.00 0.00 WT1 H ATOM 18088 OH2 TIP3 6024 -0.606 -3.447 -0.121 1.00 0.00 WT1 O ATOM 18089 H1 TIP3 6024 -11.393 -0.029 3.963 1.00 0.00 WT1 H ATOM 18090 H2 TIP3 6024 -4.025 -1.932 1.997 1.00 0.00 WT1 H ATOM 18091 OH2 TIP3 6026 -5.424 1.075 -0.865 1.00 0.00 WT1 O ATOM 18092 H1 TIP3 6026 -13.119 -9.774 -2.376 1.00 0.00 WT1 H ATOM 18093 H2 TIP3 6026 2.736 -18.477 3.450 1.00 0.00 WT1 H ATOM 18094 OH2 TIP3 6027 0.926 -0.526 0.195 1.00 0.00 WT1 O ATOM 18095 H1 TIP3 6027 5.703 -7.334 -14.325 1.00 0.00 WT1 H ATOM 18096 H2 TIP3 6027 12.153 -7.460 12.988 1.00 0.00 WT1 H ATOM 18097 OH2 TIP3 6030 -1.430 4.956 1.694 1.00 0.00 WT1 O ATOM 18098 H1 TIP3 6030 -8.809 0.256 9.786 1.00 0.00 WT1 H ATOM 18099 H2 TIP3 6030 -9.092 10.990 -6.074 1.00 0.00 WT1 H ATOM 18100 OH2 TIP3 6031 -1.761 7.242 -2.013 1.00 0.00 WT1 O ATOM 18101 H1 TIP3 6031 -10.252 0.760 -5.389 1.00 0.00 WT1 H ATOM 18102 H2 TIP3 6031 2.691 5.841 -3.547 1.00 0.00 WT1 H ATOM 18103 OH2 TIP3 6032 -0.696 0.249 0.226 1.00 0.00 WT1 O ATOM 18104 H1 TIP3 6032 -15.964 8.909 -2.334 1.00 0.00 WT1 H ATOM 18105 H2 TIP3 6032 3.977 3.776 -7.611 1.00 0.00 WT1 H ATOM 18106 OH2 TIP3 6034 -4.186 -5.643 2.019 1.00 0.00 WT1 O ATOM 18107 H1 TIP3 6034 1.039 -9.508 3.039 1.00 0.00 WT1 H ATOM 18108 H2 TIP3 6034 -7.849 1.668 1.251 1.00 0.00 WT1 H ATOM 18109 OH2 TIP3 6035 -1.668 -0.417 2.051 1.00 0.00 WT1 O ATOM 18110 H1 TIP3 6035 18.337 11.963 2.565 1.00 0.00 WT1 H ATOM 18111 H2 TIP3 6035 4.831 3.524 -0.016 1.00 0.00 WT1 H ATOM 18112 OH2 TIP3 6036 3.584 5.615 -1.220 1.00 0.00 WT1 O ATOM 18113 H1 TIP3 6036 -5.421 5.945 9.714 1.00 0.00 WT1 H ATOM 18114 H2 TIP3 6036 7.873 10.960 -2.973 1.00 0.00 WT1 H ATOM 18115 OH2 TIP3 6037 3.079 -4.345 2.873 1.00 0.00 WT1 O ATOM 18116 H1 TIP3 6037 -0.688 -4.970 2.472 1.00 0.00 WT1 H ATOM 18117 H2 TIP3 6037 -8.494 -7.894 -7.519 1.00 0.00 WT1 H ATOM 18118 OH2 TIP3 6039 -4.731 -1.208 2.522 1.00 0.00 WT1 O ATOM 18119 H1 TIP3 6039 -1.659 -8.577 16.195 1.00 0.00 WT1 H ATOM 18120 H2 TIP3 6039 -14.470 -5.343 -6.144 1.00 0.00 WT1 H ATOM 18121 OH2 TIP3 6042 4.676 3.079 -0.514 1.00 0.00 WT1 O ATOM 18122 H1 TIP3 6042 8.192 -13.312 5.003 1.00 0.00 WT1 H ATOM 18123 H2 TIP3 6042 -10.108 11.925 -10.973 1.00 0.00 WT1 H ATOM 18124 OH2 TIP3 6044 -0.580 3.251 3.205 1.00 0.00 WT1 O ATOM 18125 H1 TIP3 6044 -17.632 6.304 4.600 1.00 0.00 WT1 H ATOM 18126 H2 TIP3 6044 15.781 14.450 -9.409 1.00 0.00 WT1 H ATOM 18127 OH2 TIP3 6046 -2.097 -3.468 0.821 1.00 0.00 WT1 O ATOM 18128 H1 TIP3 6046 -3.124 13.306 3.096 1.00 0.00 WT1 H ATOM 18129 H2 TIP3 6046 -7.094 -12.682 -5.493 1.00 0.00 WT1 H ATOM 18130 OH2 TIP3 6048 -7.816 -0.071 -0.875 1.00 0.00 WT1 O ATOM 18131 H1 TIP3 6048 0.512 9.368 -3.103 1.00 0.00 WT1 H ATOM 18132 H2 TIP3 6048 0.975 -19.712 -3.130 1.00 0.00 WT1 H ATOM 18133 OH2 TIP3 6049 -0.190 -2.430 -0.793 1.00 0.00 WT1 O ATOM 18134 H1 TIP3 6049 -7.373 1.083 4.586 1.00 0.00 WT1 H ATOM 18135 H2 TIP3 6049 -7.982 9.096 7.087 1.00 0.00 WT1 H ATOM 18136 OH2 TIP3 6050 1.773 -4.780 3.946 1.00 0.00 WT1 O ATOM 18137 H1 TIP3 6050 5.116 -1.254 5.278 1.00 0.00 WT1 H ATOM 18138 H2 TIP3 6050 6.581 3.353 18.831 1.00 0.00 WT1 H ATOM 18139 OH2 TIP3 6051 5.898 -1.607 -6.575 1.00 0.00 WT1 O ATOM 18140 H1 TIP3 6051 19.376 -10.921 -5.756 1.00 0.00 WT1 H ATOM 18141 H2 TIP3 6051 9.030 -8.478 -12.903 1.00 0.00 WT1 H ATOM 18142 OH2 TIP3 6052 1.427 -3.854 2.061 1.00 0.00 WT1 O ATOM 18143 H1 TIP3 6052 11.475 0.013 -3.464 1.00 0.00 WT1 H ATOM 18144 H2 TIP3 6052 14.529 9.427 -1.287 1.00 0.00 WT1 H ATOM 18145 OH2 TIP3 6053 -4.079 -2.673 -2.945 1.00 0.00 WT1 O ATOM 18146 H1 TIP3 6053 -22.203 -6.137 -7.148 1.00 0.00 WT1 H ATOM 18147 H2 TIP3 6053 3.527 -8.730 -25.038 1.00 0.00 WT1 H ATOM 18148 OH2 TIP3 6054 -2.544 -0.965 4.410 1.00 0.00 WT1 O ATOM 18149 H1 TIP3 6054 -6.719 6.250 -11.209 1.00 0.00 WT1 H ATOM 18150 H2 TIP3 6054 -2.500 -1.645 6.858 1.00 0.00 WT1 H ATOM 18151 OH2 TIP3 6058 -2.416 4.494 -2.862 1.00 0.00 WT1 O ATOM 18152 H1 TIP3 6058 5.437 -0.939 -3.217 1.00 0.00 WT1 H ATOM 18153 H2 TIP3 6058 -10.644 -2.712 3.456 1.00 0.00 WT1 H ATOM 18154 OH2 TIP3 6059 -0.722 -6.914 -8.364 1.00 0.00 WT1 O ATOM 18155 H1 TIP3 6059 -1.418 -1.689 -22.301 1.00 0.00 WT1 H ATOM 18156 H2 TIP3 6059 -0.100 -10.457 2.415 1.00 0.00 WT1 H ATOM 18157 OH2 TIP3 6061 -6.320 1.095 -3.866 1.00 0.00 WT1 O ATOM 18158 H1 TIP3 6061 24.327 -3.092 -13.350 1.00 0.00 WT1 H ATOM 18159 H2 TIP3 6061 -10.314 3.985 6.991 1.00 0.00 WT1 H ATOM 18160 OH2 TIP3 6068 -3.046 1.216 -1.335 1.00 0.00 WT1 O ATOM 18161 H1 TIP3 6068 -1.051 1.417 -2.666 1.00 0.00 WT1 H ATOM 18162 H2 TIP3 6068 -16.138 8.271 19.138 1.00 0.00 WT1 H ATOM 18163 OH2 TIP3 6069 0.884 -3.665 2.961 1.00 0.00 WT1 O ATOM 18164 H1 TIP3 6069 11.324 -1.460 -13.023 1.00 0.00 WT1 H ATOM 18165 H2 TIP3 6069 -2.590 -6.758 14.259 1.00 0.00 WT1 H ATOM 18166 OH2 TIP3 6070 -1.296 -1.157 4.643 1.00 0.00 WT1 O ATOM 18167 H1 TIP3 6070 3.878 8.248 -8.776 1.00 0.00 WT1 H ATOM 18168 H2 TIP3 6070 13.582 -8.695 -0.581 1.00 0.00 WT1 H ATOM 18169 OH2 TIP3 6071 -8.121 -3.466 7.236 1.00 0.00 WT1 O ATOM 18170 H1 TIP3 6071 -2.685 16.540 -14.925 1.00 0.00 WT1 H ATOM 18171 H2 TIP3 6071 -15.419 8.442 13.363 1.00 0.00 WT1 H ATOM 18172 OH2 TIP3 6072 -6.709 3.932 -8.209 1.00 0.00 WT1 O ATOM 18173 H1 TIP3 6072 -17.262 16.391 -1.288 1.00 0.00 WT1 H ATOM 18174 H2 TIP3 6072 -17.354 -4.862 1.131 1.00 0.00 WT1 H ATOM 18175 OH2 TIP3 6073 3.425 -0.298 2.220 1.00 0.00 WT1 O ATOM 18176 H1 TIP3 6073 -0.405 -1.425 3.784 1.00 0.00 WT1 H ATOM 18177 H2 TIP3 6073 3.128 0.435 -5.734 1.00 0.00 WT1 H ATOM 18178 OH2 TIP3 6074 -1.630 -0.064 -1.620 1.00 0.00 WT1 O ATOM 18179 H1 TIP3 6074 -2.677 2.329 -0.624 1.00 0.00 WT1 H ATOM 18180 H2 TIP3 6074 1.233 0.003 -3.832 1.00 0.00 WT1 H ATOM 18181 OH2 TIP3 6075 -4.897 0.518 -3.194 1.00 0.00 WT1 O ATOM 18182 H1 TIP3 6075 -16.315 -2.370 12.230 1.00 0.00 WT1 H ATOM 18183 H2 TIP3 6075 0.781 5.648 -31.665 1.00 0.00 WT1 H ATOM 18184 OH2 TIP3 6077 -2.924 -1.072 2.621 1.00 0.00 WT1 O ATOM 18185 H1 TIP3 6077 -2.898 17.041 -27.573 1.00 0.00 WT1 H ATOM 18186 H2 TIP3 6077 2.351 -7.553 18.395 1.00 0.00 WT1 H ATOM 18187 OH2 TIP3 6079 2.979 -0.309 -1.459 1.00 0.00 WT1 O ATOM 18188 H1 TIP3 6079 6.893 -1.984 -1.738 1.00 0.00 WT1 H ATOM 18189 H2 TIP3 6079 -14.940 -0.293 -16.822 1.00 0.00 WT1 H ATOM 18190 OH2 TIP3 6083 -2.761 -2.055 -6.063 1.00 0.00 WT1 O ATOM 18191 H1 TIP3 6083 -4.104 2.953 3.914 1.00 0.00 WT1 H ATOM 18192 H2 TIP3 6083 -10.466 -10.173 -9.368 1.00 0.00 WT1 H ATOM 18193 OH2 TIP3 6084 -5.556 0.534 -2.441 1.00 0.00 WT1 O ATOM 18194 H1 TIP3 6084 6.456 -7.976 -5.207 1.00 0.00 WT1 H ATOM 18195 H2 TIP3 6084 -17.813 -4.931 -2.313 1.00 0.00 WT1 H ATOM 18196 OH2 TIP3 6087 4.432 3.352 -3.946 1.00 0.00 WT1 O ATOM 18197 H1 TIP3 6087 -5.310 12.841 12.318 1.00 0.00 WT1 H ATOM 18198 H2 TIP3 6087 2.310 7.840 -6.026 1.00 0.00 WT1 H ATOM 18199 OH2 TIP3 6088 -1.088 -0.083 0.210 1.00 0.00 WT1 O ATOM 18200 H1 TIP3 6088 12.574 -24.051 -5.842 1.00 0.00 WT1 H ATOM 18201 H2 TIP3 6088 -20.521 16.233 16.122 1.00 0.00 WT1 H ATOM 18202 OH2 TIP3 6089 -0.209 -2.303 2.962 1.00 0.00 WT1 O ATOM 18203 H1 TIP3 6089 7.931 11.293 -24.412 1.00 0.00 WT1 H ATOM 18204 H2 TIP3 6089 -2.670 -15.334 10.303 1.00 0.00 WT1 H ATOM 18205 OH2 TIP3 6090 -2.237 -3.606 -5.367 1.00 0.00 WT1 O ATOM 18206 H1 TIP3 6090 13.273 7.651 -20.636 1.00 0.00 WT1 H ATOM 18207 H2 TIP3 6090 -14.404 6.632 2.410 1.00 0.00 WT1 H ATOM 18208 OH2 TIP3 6091 1.671 -5.169 -5.846 1.00 0.00 WT1 O ATOM 18209 H1 TIP3 6091 -1.502 -20.883 9.549 1.00 0.00 WT1 H ATOM 18210 H2 TIP3 6091 15.287 0.474 -11.112 1.00 0.00 WT1 H ATOM 18211 OH2 TIP3 6092 -1.538 -3.047 -1.171 1.00 0.00 WT1 O ATOM 18212 H1 TIP3 6092 -6.724 12.378 8.132 1.00 0.00 WT1 H ATOM 18213 H2 TIP3 6092 -4.114 4.531 2.288 1.00 0.00 WT1 H ATOM 18214 OH2 TIP3 6093 1.483 7.820 -6.574 1.00 0.00 WT1 O ATOM 18215 H1 TIP3 6093 1.172 20.837 -9.049 1.00 0.00 WT1 H ATOM 18216 H2 TIP3 6093 18.639 -30.121 -21.797 1.00 0.00 WT1 H ATOM 18217 OH2 TIP3 6095 0.508 -2.986 -3.400 1.00 0.00 WT1 O ATOM 18218 H1 TIP3 6095 4.325 -2.024 6.845 1.00 0.00 WT1 H ATOM 18219 H2 TIP3 6095 6.030 -1.209 11.304 1.00 0.00 WT1 H ATOM 18220 OH2 TIP3 6096 6.371 2.731 6.197 1.00 0.00 WT1 O ATOM 18221 H1 TIP3 6096 3.842 17.702 -0.136 1.00 0.00 WT1 H ATOM 18222 H2 TIP3 6096 12.698 13.314 6.441 1.00 0.00 WT1 H ATOM 18223 OH2 TIP3 6097 -1.668 2.033 -2.182 1.00 0.00 WT1 O ATOM 18224 H1 TIP3 6097 8.245 6.706 -1.216 1.00 0.00 WT1 H ATOM 18225 H2 TIP3 6097 -7.987 -1.080 -9.916 1.00 0.00 WT1 H ATOM 18226 OH2 TIP3 6098 -2.063 1.652 0.192 1.00 0.00 WT1 O ATOM 18227 H1 TIP3 6098 2.172 4.476 -7.516 1.00 0.00 WT1 H ATOM 18228 H2 TIP3 6098 -8.182 -0.123 7.554 1.00 0.00 WT1 H ATOM 18229 OH2 TIP3 6099 -7.244 1.432 2.518 1.00 0.00 WT1 O ATOM 18230 H1 TIP3 6099 -5.790 -8.623 0.301 1.00 0.00 WT1 H ATOM 18231 H2 TIP3 6099 -6.830 17.428 6.576 1.00 0.00 WT1 H ATOM 18232 OH2 TIP3 6101 7.541 -0.793 0.144 1.00 0.00 WT1 O ATOM 18233 H1 TIP3 6101 1.011 2.920 3.583 1.00 0.00 WT1 H ATOM 18234 H2 TIP3 6101 12.889 -7.328 7.385 1.00 0.00 WT1 H ATOM 18235 OH2 TIP3 6102 -4.301 -4.536 -8.002 1.00 0.00 WT1 O ATOM 18236 H1 TIP3 6102 2.829 5.332 23.583 1.00 0.00 WT1 H ATOM 18237 H2 TIP3 6102 -20.755 -4.008 -11.679 1.00 0.00 WT1 H ATOM 18238 OH2 TIP3 6105 -3.297 2.168 -0.302 1.00 0.00 WT1 O ATOM 18239 H1 TIP3 6105 6.709 4.575 0.314 1.00 0.00 WT1 H ATOM 18240 H2 TIP3 6105 15.768 -2.217 4.352 1.00 0.00 WT1 H ATOM 18241 OH2 TIP3 6106 -3.433 -11.285 -2.998 1.00 0.00 WT1 O ATOM 18242 H1 TIP3 6106 -16.171 -13.853 0.395 1.00 0.00 WT1 H ATOM 18243 H2 TIP3 6106 7.097 -5.480 -15.774 1.00 0.00 WT1 H ATOM 18244 OH2 TIP3 6108 2.089 -1.529 -2.750 1.00 0.00 WT1 O ATOM 18245 H1 TIP3 6108 -5.132 1.464 -11.530 1.00 0.00 WT1 H ATOM 18246 H2 TIP3 6108 12.347 -3.040 -4.459 1.00 0.00 WT1 H ATOM 18247 OH2 TIP3 6110 5.230 -8.297 -5.000 1.00 0.00 WT1 O ATOM 18248 H1 TIP3 6110 1.324 0.121 -0.432 1.00 0.00 WT1 H ATOM 18249 H2 TIP3 6110 9.134 28.146 4.842 1.00 0.00 WT1 H ATOM 18250 OH2 TIP3 6111 -1.658 3.493 -1.269 1.00 0.00 WT1 O ATOM 18251 H1 TIP3 6111 6.182 5.771 -2.791 1.00 0.00 WT1 H ATOM 18252 H2 TIP3 6111 -15.624 -7.641 4.068 1.00 0.00 WT1 H ATOM 18253 OH2 TIP3 6112 5.002 1.182 1.298 1.00 0.00 WT1 O ATOM 18254 H1 TIP3 6112 13.657 -13.968 -0.683 1.00 0.00 WT1 H ATOM 18255 H2 TIP3 6112 6.847 4.368 0.849 1.00 0.00 WT1 H ATOM 18256 OH2 TIP3 6113 -4.381 0.963 0.410 1.00 0.00 WT1 O ATOM 18257 H1 TIP3 6113 -1.421 -6.082 -22.535 1.00 0.00 WT1 H ATOM 18258 H2 TIP3 6113 -4.053 2.924 9.546 1.00 0.00 WT1 H ATOM 18259 OH2 TIP3 6116 1.399 -6.419 -2.563 1.00 0.00 WT1 O ATOM 18260 H1 TIP3 6116 -1.092 0.966 2.233 1.00 0.00 WT1 H ATOM 18261 H2 TIP3 6116 5.917 -16.110 -8.308 1.00 0.00 WT1 H ATOM 18262 OH2 TIP3 6117 4.139 1.766 3.002 1.00 0.00 WT1 O ATOM 18263 H1 TIP3 6117 0.573 -12.882 -10.217 1.00 0.00 WT1 H ATOM 18264 H2 TIP3 6117 23.007 -5.256 10.266 1.00 0.00 WT1 H ATOM 18265 OH2 TIP3 6120 3.769 2.216 3.211 1.00 0.00 WT1 O ATOM 18266 H1 TIP3 6120 2.906 -17.016 9.583 1.00 0.00 WT1 H ATOM 18267 H2 TIP3 6120 8.934 2.914 -17.081 1.00 0.00 WT1 H ATOM 18268 OH2 TIP3 6122 -0.071 2.273 3.898 1.00 0.00 WT1 O ATOM 18269 H1 TIP3 6122 -4.132 -13.469 6.286 1.00 0.00 WT1 H ATOM 18270 H2 TIP3 6122 9.904 18.096 -23.483 1.00 0.00 WT1 H ATOM 18271 OH2 TIP3 6125 0.461 0.296 -2.801 1.00 0.00 WT1 O ATOM 18272 H1 TIP3 6125 11.442 5.038 2.128 1.00 0.00 WT1 H ATOM 18273 H2 TIP3 6125 -23.585 -10.294 12.924 1.00 0.00 WT1 H ATOM 18274 OH2 TIP3 6126 -2.389 1.946 4.318 1.00 0.00 WT1 O ATOM 18275 H1 TIP3 6126 6.325 13.088 16.767 1.00 0.00 WT1 H ATOM 18276 H2 TIP3 6126 -2.990 10.230 -4.456 1.00 0.00 WT1 H ATOM 18277 OH2 TIP3 6127 1.597 1.141 -1.604 1.00 0.00 WT1 O ATOM 18278 H1 TIP3 6127 0.219 -2.569 -4.309 1.00 0.00 WT1 H ATOM 18279 H2 TIP3 6127 -2.990 0.804 2.965 1.00 0.00 WT1 H ATOM 18280 OH2 TIP3 6130 -2.741 -3.641 6.150 1.00 0.00 WT1 O ATOM 18281 H1 TIP3 6130 -20.708 1.717 -0.153 1.00 0.00 WT1 H ATOM 18282 H2 TIP3 6130 -2.386 -6.183 2.832 1.00 0.00 WT1 H ATOM 18283 OH2 TIP3 6131 3.051 1.828 -3.454 1.00 0.00 WT1 O ATOM 18284 H1 TIP3 6131 3.663 -7.880 7.100 1.00 0.00 WT1 H ATOM 18285 H2 TIP3 6131 10.659 -1.539 -2.302 1.00 0.00 WT1 H ATOM 18286 OH2 TIP3 6132 6.684 -0.859 0.928 1.00 0.00 WT1 O ATOM 18287 H1 TIP3 6132 -0.092 0.341 -0.641 1.00 0.00 WT1 H ATOM 18288 H2 TIP3 6132 5.212 -1.484 3.262 1.00 0.00 WT1 H ATOM 18289 OH2 TIP3 6133 -2.123 -3.564 7.050 1.00 0.00 WT1 O ATOM 18290 H1 TIP3 6133 -9.998 -3.464 -2.715 1.00 0.00 WT1 H ATOM 18291 H2 TIP3 6133 7.427 -8.691 1.442 1.00 0.00 WT1 H ATOM 18292 OH2 TIP3 6134 0.748 -1.838 6.627 1.00 0.00 WT1 O ATOM 18293 H1 TIP3 6134 -14.757 -23.516 -14.592 1.00 0.00 WT1 H ATOM 18294 H2 TIP3 6134 -11.559 -19.494 -10.217 1.00 0.00 WT1 H ATOM 18295 OH2 TIP3 6135 0.564 -3.071 4.196 1.00 0.00 WT1 O ATOM 18296 H1 TIP3 6135 17.788 17.669 14.135 1.00 0.00 WT1 H ATOM 18297 H2 TIP3 6135 -4.977 -7.663 -9.721 1.00 0.00 WT1 H ATOM 18298 OH2 TIP3 6136 0.314 -10.074 -2.561 1.00 0.00 WT1 O ATOM 18299 H1 TIP3 6136 -4.352 25.884 -13.489 1.00 0.00 WT1 H ATOM 18300 H2 TIP3 6136 -2.578 12.530 -12.435 1.00 0.00 WT1 H ATOM 18301 OH2 TIP3 6137 -0.262 -1.155 4.129 1.00 0.00 WT1 O ATOM 18302 H1 TIP3 6137 -10.719 1.390 2.721 1.00 0.00 WT1 H ATOM 18303 H2 TIP3 6137 4.321 5.192 -2.168 1.00 0.00 WT1 H ATOM 18304 OH2 TIP3 6138 -3.275 1.232 1.486 1.00 0.00 WT1 O ATOM 18305 H1 TIP3 6138 24.879 -21.029 2.365 1.00 0.00 WT1 H ATOM 18306 H2 TIP3 6138 -17.542 5.917 0.084 1.00 0.00 WT1 H ATOM 18307 OH2 TIP3 6139 1.439 1.200 2.552 1.00 0.00 WT1 O ATOM 18308 H1 TIP3 6139 -0.236 -19.658 -2.907 1.00 0.00 WT1 H ATOM 18309 H2 TIP3 6139 -5.775 12.727 -8.998 1.00 0.00 WT1 H ATOM 18310 OH2 TIP3 6141 2.812 6.597 -1.715 1.00 0.00 WT1 O ATOM 18311 H1 TIP3 6141 -1.977 3.482 -8.697 1.00 0.00 WT1 H ATOM 18312 H2 TIP3 6141 10.989 6.700 -5.033 1.00 0.00 WT1 H ATOM 18313 OH2 TIP3 6144 -0.538 -9.496 -3.374 1.00 0.00 WT1 O ATOM 18314 H1 TIP3 6144 -6.977 -2.970 -2.342 1.00 0.00 WT1 H ATOM 18315 H2 TIP3 6144 -18.211 -14.927 -1.907 1.00 0.00 WT1 H ATOM 18316 OH2 TIP3 6146 1.681 -0.543 3.220 1.00 0.00 WT1 O ATOM 18317 H1 TIP3 6146 6.149 4.715 2.789 1.00 0.00 WT1 H ATOM 18318 H2 TIP3 6146 -19.606 -23.237 11.405 1.00 0.00 WT1 H ATOM 18319 OH2 TIP3 6147 -2.955 1.912 -4.245 1.00 0.00 WT1 O ATOM 18320 H1 TIP3 6147 23.723 -0.526 -4.325 1.00 0.00 WT1 H ATOM 18321 H2 TIP3 6147 17.845 1.051 2.159 1.00 0.00 WT1 H ATOM 18322 OH2 TIP3 6148 0.471 2.136 4.130 1.00 0.00 WT1 O ATOM 18323 H1 TIP3 6148 26.766 -13.849 -13.082 1.00 0.00 WT1 H ATOM 18324 H2 TIP3 6148 -3.368 5.228 7.653 1.00 0.00 WT1 H ATOM 18325 OH2 TIP3 6150 0.641 -3.392 -2.141 1.00 0.00 WT1 O ATOM 18326 H1 TIP3 6150 -2.878 -11.460 5.459 1.00 0.00 WT1 H ATOM 18327 H2 TIP3 6150 15.452 9.040 8.376 1.00 0.00 WT1 H ATOM 18328 OH2 TIP3 6151 -5.906 4.130 -3.968 1.00 0.00 WT1 O ATOM 18329 H1 TIP3 6151 -4.849 5.187 -6.751 1.00 0.00 WT1 H ATOM 18330 H2 TIP3 6151 -6.830 4.931 -13.701 1.00 0.00 WT1 H ATOM 18331 OH2 TIP3 6152 1.582 -2.442 1.578 1.00 0.00 WT1 O ATOM 18332 H1 TIP3 6152 -0.416 -5.271 2.005 1.00 0.00 WT1 H ATOM 18333 H2 TIP3 6152 19.382 1.542 -1.494 1.00 0.00 WT1 H ATOM 18334 OH2 TIP3 6153 0.511 -2.690 5.163 1.00 0.00 WT1 O ATOM 18335 H1 TIP3 6153 -5.091 -3.673 15.227 1.00 0.00 WT1 H ATOM 18336 H2 TIP3 6153 -14.588 -5.614 2.762 1.00 0.00 WT1 H ATOM 18337 OH2 TIP3 6154 -1.507 3.499 2.300 1.00 0.00 WT1 O ATOM 18338 H1 TIP3 6154 -9.161 -9.711 8.666 1.00 0.00 WT1 H ATOM 18339 H2 TIP3 6154 9.059 1.301 -12.285 1.00 0.00 WT1 H ATOM 18340 OH2 TIP3 6155 -0.351 -2.068 -1.153 1.00 0.00 WT1 O ATOM 18341 H1 TIP3 6155 32.571 -2.780 0.464 1.00 0.00 WT1 H ATOM 18342 H2 TIP3 6155 8.845 -1.456 6.722 1.00 0.00 WT1 H ATOM 18343 OH2 TIP3 6156 -0.754 -1.082 -0.637 1.00 0.00 WT1 O ATOM 18344 H1 TIP3 6156 -7.747 -2.663 11.174 1.00 0.00 WT1 H ATOM 18345 H2 TIP3 6156 -1.258 -1.629 -0.364 1.00 0.00 WT1 H ATOM 18346 OH2 TIP3 6157 5.025 -4.905 -3.050 1.00 0.00 WT1 O ATOM 18347 H1 TIP3 6157 2.353 -17.732 10.805 1.00 0.00 WT1 H ATOM 18348 H2 TIP3 6157 -12.610 -13.497 9.524 1.00 0.00 WT1 H ATOM 18349 OH2 TIP3 6158 -5.260 -3.146 2.432 1.00 0.00 WT1 O ATOM 18350 H1 TIP3 6158 -11.289 -5.526 -2.897 1.00 0.00 WT1 H ATOM 18351 H2 TIP3 6158 -6.839 5.803 6.208 1.00 0.00 WT1 H ATOM 18352 OH2 TIP3 6159 7.326 -9.365 -0.945 1.00 0.00 WT1 O ATOM 18353 H1 TIP3 6159 5.495 -9.972 -4.186 1.00 0.00 WT1 H ATOM 18354 H2 TIP3 6159 13.775 -6.670 -6.681 1.00 0.00 WT1 H ATOM 18355 OH2 TIP3 6160 1.791 0.567 2.767 1.00 0.00 WT1 O ATOM 18356 H1 TIP3 6160 8.607 12.142 -12.707 1.00 0.00 WT1 H ATOM 18357 H2 TIP3 6160 -4.972 8.597 16.888 1.00 0.00 WT1 H ATOM 18358 OH2 TIP3 6162 1.118 1.334 -3.374 1.00 0.00 WT1 O ATOM 18359 H1 TIP3 6162 3.515 14.878 -3.628 1.00 0.00 WT1 H ATOM 18360 H2 TIP3 6162 -13.926 -0.939 -0.066 1.00 0.00 WT1 H ATOM 18361 OH2 TIP3 6163 -3.295 -0.584 0.398 1.00 0.00 WT1 O ATOM 18362 H1 TIP3 6163 9.133 6.442 14.586 1.00 0.00 WT1 H ATOM 18363 H2 TIP3 6163 2.727 -3.998 8.077 1.00 0.00 WT1 H ATOM 18364 OH2 TIP3 6164 0.560 -1.069 0.750 1.00 0.00 WT1 O ATOM 18365 H1 TIP3 6164 1.884 6.197 1.214 1.00 0.00 WT1 H ATOM 18366 H2 TIP3 6164 5.962 -22.546 16.427 1.00 0.00 WT1 H ATOM 18367 OH2 TIP3 6166 -0.929 0.578 -0.192 1.00 0.00 WT1 O ATOM 18368 H1 TIP3 6166 8.568 7.115 0.712 1.00 0.00 WT1 H ATOM 18369 H2 TIP3 6166 -0.651 3.087 6.141 1.00 0.00 WT1 H ATOM 18370 OH2 TIP3 6167 0.271 2.041 2.339 1.00 0.00 WT1 O ATOM 18371 H1 TIP3 6167 -1.480 -2.917 -10.644 1.00 0.00 WT1 H ATOM 18372 H2 TIP3 6167 7.461 -8.282 2.636 1.00 0.00 WT1 H ATOM 18373 OH2 TIP3 6171 -0.701 7.628 -1.135 1.00 0.00 WT1 O ATOM 18374 H1 TIP3 6171 -4.753 37.337 1.506 1.00 0.00 WT1 H ATOM 18375 H2 TIP3 6171 -3.806 -11.646 10.583 1.00 0.00 WT1 H ATOM 18376 OH2 TIP3 6172 1.976 4.398 -6.322 1.00 0.00 WT1 O ATOM 18377 H1 TIP3 6172 10.125 -5.232 -16.742 1.00 0.00 WT1 H ATOM 18378 H2 TIP3 6172 31.775 4.091 15.979 1.00 0.00 WT1 H ATOM 18379 OH2 TIP3 6175 -4.209 5.465 -6.999 1.00 0.00 WT1 O ATOM 18380 H1 TIP3 6175 3.778 18.291 -9.915 1.00 0.00 WT1 H ATOM 18381 H2 TIP3 6175 18.098 26.903 9.379 1.00 0.00 WT1 H ATOM 18382 OH2 TIP3 6176 -1.160 -3.085 -4.672 1.00 0.00 WT1 O ATOM 18383 H1 TIP3 6176 2.333 -17.752 -10.641 1.00 0.00 WT1 H ATOM 18384 H2 TIP3 6176 16.694 3.230 -0.737 1.00 0.00 WT1 H ATOM 18385 OH2 TIP3 6177 1.430 -5.919 -5.434 1.00 0.00 WT1 O ATOM 18386 H1 TIP3 6177 7.139 -15.047 6.034 1.00 0.00 WT1 H ATOM 18387 H2 TIP3 6177 -4.527 -20.587 -18.400 1.00 0.00 WT1 H ATOM 18388 OH2 TIP3 6178 -6.019 -5.255 4.042 1.00 0.00 WT1 O ATOM 18389 H1 TIP3 6178 6.086 6.322 4.778 1.00 0.00 WT1 H ATOM 18390 H2 TIP3 6178 -8.676 -18.959 18.866 1.00 0.00 WT1 H ATOM 18391 OH2 TIP3 6180 -2.576 1.301 -0.742 1.00 0.00 WT1 O ATOM 18392 H1 TIP3 6180 17.544 -16.324 3.926 1.00 0.00 WT1 H ATOM 18393 H2 TIP3 6180 -19.416 16.619 -4.347 1.00 0.00 WT1 H ATOM 18394 OH2 TIP3 6181 -1.056 0.812 0.407 1.00 0.00 WT1 O ATOM 18395 H1 TIP3 6181 -16.709 -1.026 -3.997 1.00 0.00 WT1 H ATOM 18396 H2 TIP3 6181 -34.088 13.368 -9.187 1.00 0.00 WT1 H ATOM 18397 OH2 TIP3 6182 -1.707 -0.308 -0.055 1.00 0.00 WT1 O ATOM 18398 H1 TIP3 6182 -1.885 -1.203 -0.740 1.00 0.00 WT1 H ATOM 18399 H2 TIP3 6182 -3.736 -15.429 -11.888 1.00 0.00 WT1 H ATOM 18400 OH2 TIP3 6183 6.533 2.041 -1.894 1.00 0.00 WT1 O ATOM 18401 H1 TIP3 6183 -2.756 -15.621 7.849 1.00 0.00 WT1 H ATOM 18402 H2 TIP3 6183 23.262 -1.781 -10.781 1.00 0.00 WT1 H ATOM 18403 OH2 TIP3 6184 -1.045 -3.959 -3.587 1.00 0.00 WT1 O ATOM 18404 H1 TIP3 6184 -11.132 -5.115 10.738 1.00 0.00 WT1 H ATOM 18405 H2 TIP3 6184 17.297 -3.450 -5.431 1.00 0.00 WT1 H ATOM 18406 OH2 TIP3 6186 4.093 -4.957 -0.564 1.00 0.00 WT1 O ATOM 18407 H1 TIP3 6186 5.167 5.001 -2.105 1.00 0.00 WT1 H ATOM 18408 H2 TIP3 6186 -2.088 -13.661 -1.974 1.00 0.00 WT1 H ATOM 18409 OH2 TIP3 6187 0.320 -4.124 -7.468 1.00 0.00 WT1 O ATOM 18410 H1 TIP3 6187 -21.408 -24.371 -2.036 1.00 0.00 WT1 H ATOM 18411 H2 TIP3 6187 12.113 4.575 -16.582 1.00 0.00 WT1 H ATOM 18412 OH2 TIP3 6188 0.082 -1.653 2.988 1.00 0.00 WT1 O ATOM 18413 H1 TIP3 6188 3.622 4.770 10.081 1.00 0.00 WT1 H ATOM 18414 H2 TIP3 6188 12.596 -12.909 -6.714 1.00 0.00 WT1 H ATOM 18415 OH2 TIP3 6189 -2.334 1.882 0.889 1.00 0.00 WT1 O ATOM 18416 H1 TIP3 6189 20.648 -17.981 -2.253 1.00 0.00 WT1 H ATOM 18417 H2 TIP3 6189 -5.627 3.960 24.371 1.00 0.00 WT1 H ATOM 18418 OH2 TIP3 6191 -0.593 2.235 -1.354 1.00 0.00 WT1 O ATOM 18419 H1 TIP3 6191 17.574 1.271 -14.361 1.00 0.00 WT1 H ATOM 18420 H2 TIP3 6191 -0.216 -17.191 7.533 1.00 0.00 WT1 H ATOM 18421 OH2 TIP3 6192 -1.826 2.760 -4.071 1.00 0.00 WT1 O ATOM 18422 H1 TIP3 6192 -1.384 5.524 -11.048 1.00 0.00 WT1 H ATOM 18423 H2 TIP3 6192 -1.447 2.199 -3.044 1.00 0.00 WT1 H ATOM 18424 OH2 TIP3 6193 4.538 1.858 -1.853 1.00 0.00 WT1 O ATOM 18425 H1 TIP3 6193 -5.741 1.627 -9.967 1.00 0.00 WT1 H ATOM 18426 H2 TIP3 6193 -0.979 -24.890 -4.094 1.00 0.00 WT1 H ATOM 18427 OH2 TIP3 6194 0.112 2.668 5.574 1.00 0.00 WT1 O ATOM 18428 H1 TIP3 6194 1.173 14.812 -4.472 1.00 0.00 WT1 H ATOM 18429 H2 TIP3 6194 -2.215 -3.678 -5.437 1.00 0.00 WT1 H ATOM 18430 OH2 TIP3 6195 -1.452 -0.742 7.143 1.00 0.00 WT1 O ATOM 18431 H1 TIP3 6195 23.809 -4.620 13.587 1.00 0.00 WT1 H ATOM 18432 H2 TIP3 6195 -2.762 26.160 19.810 1.00 0.00 WT1 H ATOM 18433 OH2 TIP3 6196 -2.010 1.681 -3.120 1.00 0.00 WT1 O ATOM 18434 H1 TIP3 6196 17.592 28.538 -6.766 1.00 0.00 WT1 H ATOM 18435 H2 TIP3 6196 -23.873 -23.714 16.813 1.00 0.00 WT1 H ATOM 18436 OH2 TIP3 6197 2.738 1.437 0.591 1.00 0.00 WT1 O ATOM 18437 H1 TIP3 6197 -1.232 3.196 6.536 1.00 0.00 WT1 H ATOM 18438 H2 TIP3 6197 -6.721 15.526 -9.996 1.00 0.00 WT1 H ATOM 18439 OH2 TIP3 6198 -0.470 -6.734 0.006 1.00 0.00 WT1 O ATOM 18440 H1 TIP3 6198 -2.782 1.155 5.025 1.00 0.00 WT1 H ATOM 18441 H2 TIP3 6198 -5.303 -0.955 3.487 1.00 0.00 WT1 H ATOM 18442 OH2 TIP3 6199 -3.327 7.219 -8.382 1.00 0.00 WT1 O ATOM 18443 H1 TIP3 6199 4.903 -2.354 -2.537 1.00 0.00 WT1 H ATOM 18444 H2 TIP3 6199 6.283 -2.435 -1.804 1.00 0.00 WT1 H ATOM 18445 OH2 TIP3 6200 -2.251 -2.861 -0.936 1.00 0.00 WT1 O ATOM 18446 H1 TIP3 6200 0.314 -7.500 -6.819 1.00 0.00 WT1 H ATOM 18447 H2 TIP3 6200 7.671 -4.950 5.636 1.00 0.00 WT1 H ATOM 18448 OH2 TIP3 6201 9.894 0.018 0.929 1.00 0.00 WT1 O ATOM 18449 H1 TIP3 6201 7.496 4.272 -17.396 1.00 0.00 WT1 H ATOM 18450 H2 TIP3 6201 17.926 -11.250 0.146 1.00 0.00 WT1 H ATOM 18451 OH2 TIP3 6202 1.870 0.392 1.602 1.00 0.00 WT1 O ATOM 18452 H1 TIP3 6202 -0.936 2.752 4.389 1.00 0.00 WT1 H ATOM 18453 H2 TIP3 6202 -20.553 1.353 -6.050 1.00 0.00 WT1 H ATOM 18454 OH2 TIP3 6203 0.193 -7.195 -3.528 1.00 0.00 WT1 O ATOM 18455 H1 TIP3 6203 15.071 8.272 19.677 1.00 0.00 WT1 H ATOM 18456 H2 TIP3 6203 -14.954 -22.955 5.654 1.00 0.00 WT1 H ATOM 18457 OH2 TIP3 6204 1.828 5.215 -9.035 1.00 0.00 WT1 O ATOM 18458 H1 TIP3 6204 -9.883 -7.860 -13.353 1.00 0.00 WT1 H ATOM 18459 H2 TIP3 6204 8.964 2.366 -20.746 1.00 0.00 WT1 H ATOM 18460 OH2 TIP3 6205 -0.519 5.011 10.612 1.00 0.00 WT1 O ATOM 18461 H1 TIP3 6205 -9.432 -16.217 25.647 1.00 0.00 WT1 H ATOM 18462 H2 TIP3 6205 -1.973 8.162 4.721 1.00 0.00 WT1 H ATOM 18463 OH2 TIP3 6207 -3.884 1.530 -5.030 1.00 0.00 WT1 O ATOM 18464 H1 TIP3 6207 -11.893 -0.885 -7.618 1.00 0.00 WT1 H ATOM 18465 H2 TIP3 6207 4.646 -5.975 -1.996 1.00 0.00 WT1 H ATOM 18466 OH2 TIP3 6208 -4.083 4.916 3.943 1.00 0.00 WT1 O ATOM 18467 H1 TIP3 6208 -3.054 -3.993 19.607 1.00 0.00 WT1 H ATOM 18468 H2 TIP3 6208 4.939 4.126 -15.768 1.00 0.00 WT1 H ATOM 18469 OH2 TIP3 6209 -2.796 0.349 -0.786 1.00 0.00 WT1 O ATOM 18470 H1 TIP3 6209 -3.969 -7.620 -6.700 1.00 0.00 WT1 H ATOM 18471 H2 TIP3 6209 4.535 4.318 -3.728 1.00 0.00 WT1 H ATOM 18472 OH2 TIP3 6210 4.022 2.247 -1.297 1.00 0.00 WT1 O ATOM 18473 H1 TIP3 6210 3.654 0.593 -12.928 1.00 0.00 WT1 H ATOM 18474 H2 TIP3 6210 2.472 4.463 4.359 1.00 0.00 WT1 H ATOM 18475 OH2 TIP3 6211 2.479 -4.994 -3.704 1.00 0.00 WT1 O ATOM 18476 H1 TIP3 6211 -6.574 -12.522 27.910 1.00 0.00 WT1 H ATOM 18477 H2 TIP3 6211 -8.639 2.078 -7.644 1.00 0.00 WT1 H ATOM 18478 OH2 TIP3 6212 6.219 2.686 -2.538 1.00 0.00 WT1 O ATOM 18479 H1 TIP3 6212 6.881 2.983 1.312 1.00 0.00 WT1 H ATOM 18480 H2 TIP3 6212 5.264 3.199 -6.215 1.00 0.00 WT1 H ATOM 18481 OH2 TIP3 6213 -4.104 -3.304 2.088 1.00 0.00 WT1 O ATOM 18482 H1 TIP3 6213 -10.443 -9.224 -1.249 1.00 0.00 WT1 H ATOM 18483 H2 TIP3 6213 27.721 11.171 4.958 1.00 0.00 WT1 H ATOM 18484 OH2 TIP3 6214 -3.385 4.790 4.044 1.00 0.00 WT1 O ATOM 18485 H1 TIP3 6214 -1.089 2.099 -17.151 1.00 0.00 WT1 H ATOM 18486 H2 TIP3 6214 -4.318 -0.319 -4.229 1.00 0.00 WT1 H ATOM 18487 OH2 TIP3 6215 1.524 3.013 4.689 1.00 0.00 WT1 O ATOM 18488 H1 TIP3 6215 1.336 5.111 6.797 1.00 0.00 WT1 H ATOM 18489 H2 TIP3 6215 4.307 10.205 10.168 1.00 0.00 WT1 H ATOM 18490 OH2 TIP3 6216 0.847 1.028 -6.324 1.00 0.00 WT1 O ATOM 18491 H1 TIP3 6216 -13.343 4.356 2.169 1.00 0.00 WT1 H ATOM 18492 H2 TIP3 6216 0.978 20.937 -2.291 1.00 0.00 WT1 H ATOM 18493 OH2 TIP3 6217 1.646 -1.240 0.969 1.00 0.00 WT1 O ATOM 18494 H1 TIP3 6217 -6.377 10.433 -14.994 1.00 0.00 WT1 H ATOM 18495 H2 TIP3 6217 -12.845 -19.558 5.832 1.00 0.00 WT1 H ATOM 18496 OH2 TIP3 6218 6.350 -7.110 -2.802 1.00 0.00 WT1 O ATOM 18497 H1 TIP3 6218 11.046 -14.045 -11.206 1.00 0.00 WT1 H ATOM 18498 H2 TIP3 6218 1.267 -0.014 -6.389 1.00 0.00 WT1 H ATOM 18499 OH2 TIP3 6219 0.395 -5.663 -4.784 1.00 0.00 WT1 O ATOM 18500 H1 TIP3 6219 7.843 8.448 5.845 1.00 0.00 WT1 H ATOM 18501 H2 TIP3 6219 14.796 -1.222 5.410 1.00 0.00 WT1 H ATOM 18502 OH2 TIP3 6220 7.775 6.344 3.195 1.00 0.00 WT1 O ATOM 18503 H1 TIP3 6220 2.668 14.408 -1.640 1.00 0.00 WT1 H ATOM 18504 H2 TIP3 6220 0.147 -10.718 4.244 1.00 0.00 WT1 H ATOM 18505 OH2 TIP3 6221 5.071 -0.044 -0.557 1.00 0.00 WT1 O ATOM 18506 H1 TIP3 6221 4.468 -16.096 10.319 1.00 0.00 WT1 H ATOM 18507 H2 TIP3 6221 4.693 -8.459 4.604 1.00 0.00 WT1 H ATOM 18508 OH2 TIP3 6223 -4.068 -0.290 0.490 1.00 0.00 WT1 O ATOM 18509 H1 TIP3 6223 -30.779 -8.296 3.365 1.00 0.00 WT1 H ATOM 18510 H2 TIP3 6223 11.325 -4.952 12.526 1.00 0.00 WT1 H ATOM 18511 OH2 TIP3 6224 -4.162 1.317 -1.431 1.00 0.00 WT1 O ATOM 18512 H1 TIP3 6224 -11.068 2.206 -11.487 1.00 0.00 WT1 H ATOM 18513 H2 TIP3 6224 -9.741 2.913 -9.953 1.00 0.00 WT1 H ATOM 18514 OH2 TIP3 6225 1.446 2.075 -2.544 1.00 0.00 WT1 O ATOM 18515 H1 TIP3 6225 -3.091 -16.722 12.731 1.00 0.00 WT1 H ATOM 18516 H2 TIP3 6225 -10.515 17.772 5.871 1.00 0.00 WT1 H ATOM 18517 OH2 TIP3 6227 -4.237 5.007 6.488 1.00 0.00 WT1 O ATOM 18518 H1 TIP3 6227 -19.790 -4.813 9.238 1.00 0.00 WT1 H ATOM 18519 H2 TIP3 6227 12.518 -6.575 7.354 1.00 0.00 WT1 H ATOM 18520 OH2 TIP3 6228 -2.499 7.312 2.212 1.00 0.00 WT1 O ATOM 18521 H1 TIP3 6228 4.890 -19.644 -3.029 1.00 0.00 WT1 H ATOM 18522 H2 TIP3 6228 -18.795 21.096 9.761 1.00 0.00 WT1 H ATOM 18523 OH2 TIP3 6229 -0.984 -2.003 -7.057 1.00 0.00 WT1 O ATOM 18524 H1 TIP3 6229 -3.382 -0.871 -28.011 1.00 0.00 WT1 H ATOM 18525 H2 TIP3 6229 -15.469 -8.028 -6.549 1.00 0.00 WT1 H ATOM 18526 OH2 TIP3 6230 -6.389 2.446 -3.042 1.00 0.00 WT1 O ATOM 18527 H1 TIP3 6230 3.618 18.223 16.822 1.00 0.00 WT1 H ATOM 18528 H2 TIP3 6230 -18.481 -21.404 -1.408 1.00 0.00 WT1 H ATOM 18529 OH2 TIP3 6231 -3.047 5.707 -5.712 1.00 0.00 WT1 O ATOM 18530 H1 TIP3 6231 -14.377 2.428 -5.015 1.00 0.00 WT1 H ATOM 18531 H2 TIP3 6231 5.057 3.064 -12.516 1.00 0.00 WT1 H ATOM 18532 OH2 TIP3 6232 -1.543 4.148 -4.904 1.00 0.00 WT1 O ATOM 18533 H1 TIP3 6232 2.681 7.936 -0.731 1.00 0.00 WT1 H ATOM 18534 H2 TIP3 6232 -4.727 9.554 -9.975 1.00 0.00 WT1 H ATOM 18535 OH2 TIP3 6233 -3.060 -1.969 -1.094 1.00 0.00 WT1 O ATOM 18536 H1 TIP3 6233 -16.027 -29.041 -17.012 1.00 0.00 WT1 H ATOM 18537 H2 TIP3 6233 -11.609 4.539 -24.866 1.00 0.00 WT1 H ATOM 18538 OH2 TIP3 6234 -2.233 -3.265 -3.713 1.00 0.00 WT1 O ATOM 18539 H1 TIP3 6234 -16.427 10.375 -6.513 1.00 0.00 WT1 H ATOM 18540 H2 TIP3 6234 1.290 -3.066 -5.856 1.00 0.00 WT1 H ATOM 18541 OH2 TIP3 6235 2.683 -1.291 3.237 1.00 0.00 WT1 O ATOM 18542 H1 TIP3 6235 -9.808 4.802 -4.331 1.00 0.00 WT1 H ATOM 18543 H2 TIP3 6235 3.798 -0.554 3.848 1.00 0.00 WT1 H ATOM 18544 OH2 TIP3 6236 0.240 6.415 -3.125 1.00 0.00 WT1 O ATOM 18545 H1 TIP3 6236 -0.196 5.713 -3.596 1.00 0.00 WT1 H ATOM 18546 H2 TIP3 6236 -10.998 3.374 -1.812 1.00 0.00 WT1 H ATOM 18547 OH2 TIP3 6237 0.272 -5.363 3.391 1.00 0.00 WT1 O ATOM 18548 H1 TIP3 6237 -2.598 2.485 3.540 1.00 0.00 WT1 H ATOM 18549 H2 TIP3 6237 -0.817 3.916 6.056 1.00 0.00 WT1 H ATOM 18550 OH2 TIP3 6238 -2.331 -5.082 -1.228 1.00 0.00 WT1 O ATOM 18551 H1 TIP3 6238 -10.331 -29.434 3.387 1.00 0.00 WT1 H ATOM 18552 H2 TIP3 6238 0.413 -4.958 -6.196 1.00 0.00 WT1 H ATOM 18553 OH2 TIP3 6239 2.901 1.274 -0.837 1.00 0.00 WT1 O ATOM 18554 H1 TIP3 6239 1.401 -0.761 6.983 1.00 0.00 WT1 H ATOM 18555 H2 TIP3 6239 -6.879 6.571 7.666 1.00 0.00 WT1 H ATOM 18556 OH2 TIP3 6240 -5.177 -3.607 -1.400 1.00 0.00 WT1 O ATOM 18557 H1 TIP3 6240 -11.064 -13.436 14.730 1.00 0.00 WT1 H ATOM 18558 H2 TIP3 6240 -5.782 -7.454 14.378 1.00 0.00 WT1 H ATOM 18559 OH2 TIP3 6241 -1.155 -3.490 1.535 1.00 0.00 WT1 O ATOM 18560 H1 TIP3 6241 -7.563 22.247 5.857 1.00 0.00 WT1 H ATOM 18561 H2 TIP3 6241 0.663 11.184 6.779 1.00 0.00 WT1 H ATOM 18562 OH2 TIP3 6242 -1.720 7.161 1.257 1.00 0.00 WT1 O ATOM 18563 H1 TIP3 6242 -3.255 10.736 -17.204 1.00 0.00 WT1 H ATOM 18564 H2 TIP3 6242 6.825 -4.011 -21.247 1.00 0.00 WT1 H ATOM 18565 OH2 TIP3 6243 1.550 8.853 1.443 1.00 0.00 WT1 O ATOM 18566 H1 TIP3 6243 -9.045 23.273 13.604 1.00 0.00 WT1 H ATOM 18567 H2 TIP3 6243 0.954 -5.843 4.408 1.00 0.00 WT1 H ATOM 18568 OH2 TIP3 6245 -1.517 -1.084 0.601 1.00 0.00 WT1 O ATOM 18569 H1 TIP3 6245 4.825 -14.620 -11.293 1.00 0.00 WT1 H ATOM 18570 H2 TIP3 6245 -14.749 -17.169 7.527 1.00 0.00 WT1 H ATOM 18571 OH2 TIP3 6246 3.331 -1.428 4.445 1.00 0.00 WT1 O ATOM 18572 H1 TIP3 6246 0.927 4.867 -8.088 1.00 0.00 WT1 H ATOM 18573 H2 TIP3 6246 5.655 -15.939 2.579 1.00 0.00 WT1 H ATOM 18574 OH2 TIP3 6248 9.453 -2.273 2.621 1.00 0.00 WT1 O ATOM 18575 H1 TIP3 6248 29.679 -4.475 -28.456 1.00 0.00 WT1 H ATOM 18576 H2 TIP3 6248 8.834 -1.749 5.155 1.00 0.00 WT1 H ATOM 18577 OH2 TIP3 6249 5.936 3.325 1.774 1.00 0.00 WT1 O ATOM 18578 H1 TIP3 6249 5.030 5.038 7.444 1.00 0.00 WT1 H ATOM 18579 H2 TIP3 6249 6.019 2.519 -10.355 1.00 0.00 WT1 H ATOM 18580 OH2 TIP3 6250 -2.586 -3.291 -1.154 1.00 0.00 WT1 O ATOM 18581 H1 TIP3 6250 -1.780 13.013 -0.326 1.00 0.00 WT1 H ATOM 18582 H2 TIP3 6250 -11.023 -7.604 -16.069 1.00 0.00 WT1 H ATOM 18583 OH2 TIP3 6251 -7.235 15.248 5.698 1.00 0.00 WT1 O ATOM 18584 H1 TIP3 6251 2.741 26.224 -8.178 1.00 0.00 WT1 H ATOM 18585 H2 TIP3 6251 -5.409 -1.066 16.367 1.00 0.00 WT1 H ATOM 18586 OH2 TIP3 6252 5.507 5.813 8.839 1.00 0.00 WT1 O ATOM 18587 H1 TIP3 6252 -2.443 -5.920 -0.883 1.00 0.00 WT1 H ATOM 18588 H2 TIP3 6252 34.451 7.911 -23.410 1.00 0.00 WT1 H ATOM 18589 OH2 TIP3 6253 6.049 -0.619 4.415 1.00 0.00 WT1 O ATOM 18590 H1 TIP3 6253 -9.618 -11.924 18.301 1.00 0.00 WT1 H ATOM 18591 H2 TIP3 6253 0.534 -0.277 -3.393 1.00 0.00 WT1 H ATOM 18592 OH2 TIP3 6254 4.578 -2.388 -2.200 1.00 0.00 WT1 O ATOM 18593 H1 TIP3 6254 -6.050 13.932 7.593 1.00 0.00 WT1 H ATOM 18594 H2 TIP3 6254 2.952 -4.997 -3.703 1.00 0.00 WT1 H ATOM 18595 OH2 TIP3 6255 -5.096 3.907 1.005 1.00 0.00 WT1 O ATOM 18596 H1 TIP3 6255 22.923 10.970 2.430 1.00 0.00 WT1 H ATOM 18597 H2 TIP3 6255 13.890 9.581 1.629 1.00 0.00 WT1 H ATOM 18598 OH2 TIP3 6256 -0.865 3.444 5.481 1.00 0.00 WT1 O ATOM 18599 H1 TIP3 6256 11.127 -0.793 -6.246 1.00 0.00 WT1 H ATOM 18600 H2 TIP3 6256 -17.386 11.131 18.790 1.00 0.00 WT1 H ATOM 18601 OH2 TIP3 6257 2.539 2.407 -0.777 1.00 0.00 WT1 O ATOM 18602 H1 TIP3 6257 -1.230 19.429 17.657 1.00 0.00 WT1 H ATOM 18603 H2 TIP3 6257 0.729 19.120 1.782 1.00 0.00 WT1 H ATOM 18604 OH2 TIP3 6258 -1.453 3.416 -1.851 1.00 0.00 WT1 O ATOM 18605 H1 TIP3 6258 -2.258 10.003 0.001 1.00 0.00 WT1 H ATOM 18606 H2 TIP3 6258 -0.419 10.853 -0.274 1.00 0.00 WT1 H ATOM 18607 OH2 TIP3 6260 -3.455 -3.597 2.153 1.00 0.00 WT1 O ATOM 18608 H1 TIP3 6260 14.590 -8.807 -1.632 1.00 0.00 WT1 H ATOM 18609 H2 TIP3 6260 -7.648 -11.197 -3.415 1.00 0.00 WT1 H ATOM 18610 OH2 TIP3 6261 0.912 -4.092 2.462 1.00 0.00 WT1 O ATOM 18611 H1 TIP3 6261 -5.678 -1.155 -5.359 1.00 0.00 WT1 H ATOM 18612 H2 TIP3 6261 -19.594 -14.854 -11.741 1.00 0.00 WT1 H ATOM 18613 OH2 TIP3 6262 -3.597 -7.030 2.584 1.00 0.00 WT1 O ATOM 18614 H1 TIP3 6262 -3.036 -24.874 5.075 1.00 0.00 WT1 H ATOM 18615 H2 TIP3 6262 -5.035 -3.851 0.657 1.00 0.00 WT1 H ATOM 18616 OH2 TIP3 6263 -3.979 0.689 3.702 1.00 0.00 WT1 O ATOM 18617 H1 TIP3 6263 -2.994 4.136 -0.419 1.00 0.00 WT1 H ATOM 18618 H2 TIP3 6263 13.934 -4.031 -3.227 1.00 0.00 WT1 H ATOM 18619 OH2 TIP3 6264 -1.331 -0.168 -1.063 1.00 0.00 WT1 O ATOM 18620 H1 TIP3 6264 0.498 21.216 3.588 1.00 0.00 WT1 H ATOM 18621 H2 TIP3 6264 17.704 7.678 6.485 1.00 0.00 WT1 H ATOM 18622 OH2 TIP3 6266 -3.194 -3.360 -4.220 1.00 0.00 WT1 O ATOM 18623 H1 TIP3 6266 -25.345 -10.862 5.570 1.00 0.00 WT1 H ATOM 18624 H2 TIP3 6266 5.166 6.067 -1.548 1.00 0.00 WT1 H ATOM 18625 OH2 TIP3 6267 -6.298 -7.656 -1.292 1.00 0.00 WT1 O ATOM 18626 H1 TIP3 6267 -1.883 -7.262 -7.901 1.00 0.00 WT1 H ATOM 18627 H2 TIP3 6267 2.251 -6.239 -7.300 1.00 0.00 WT1 H ATOM 18628 OH2 TIP3 6268 -6.490 -0.108 5.207 1.00 0.00 WT1 O ATOM 18629 H1 TIP3 6268 3.831 -24.126 -4.680 1.00 0.00 WT1 H ATOM 18630 H2 TIP3 6268 -2.848 7.270 -18.783 1.00 0.00 WT1 H ATOM 18631 OH2 TIP3 6269 -5.062 3.353 -2.632 1.00 0.00 WT1 O ATOM 18632 H1 TIP3 6269 -5.271 0.902 9.855 1.00 0.00 WT1 H ATOM 18633 H2 TIP3 6269 -3.380 9.929 11.290 1.00 0.00 WT1 H ATOM 18634 OH2 TIP3 6270 -6.665 2.303 -0.555 1.00 0.00 WT1 O ATOM 18635 H1 TIP3 6270 -8.166 0.549 -0.353 1.00 0.00 WT1 H ATOM 18636 H2 TIP3 6270 0.011 10.853 -1.844 1.00 0.00 WT1 H ATOM 18637 OH2 TIP3 6271 -1.365 -5.522 -0.273 1.00 0.00 WT1 O ATOM 18638 H1 TIP3 6271 -1.534 -3.852 2.455 1.00 0.00 WT1 H ATOM 18639 H2 TIP3 6271 -4.720 3.078 12.159 1.00 0.00 WT1 H ATOM 18640 OH2 TIP3 6272 2.558 -8.396 -2.545 1.00 0.00 WT1 O ATOM 18641 H1 TIP3 6272 10.523 3.974 6.854 1.00 0.00 WT1 H ATOM 18642 H2 TIP3 6272 10.917 -12.190 -0.392 1.00 0.00 WT1 H ATOM 18643 OH2 TIP3 6273 -2.773 -3.274 -2.395 1.00 0.00 WT1 O ATOM 18644 H1 TIP3 6273 -12.580 -5.182 -12.910 1.00 0.00 WT1 H ATOM 18645 H2 TIP3 6273 1.516 -1.570 7.152 1.00 0.00 WT1 H ATOM 18646 OH2 TIP3 6274 -6.014 -1.812 4.613 1.00 0.00 WT1 O ATOM 18647 H1 TIP3 6274 -3.424 -2.411 -12.525 1.00 0.00 WT1 H ATOM 18648 H2 TIP3 6274 10.359 2.778 14.550 1.00 0.00 WT1 H ATOM 18649 OH2 TIP3 6275 2.604 -4.127 5.966 1.00 0.00 WT1 O ATOM 18650 H1 TIP3 6275 12.497 -11.092 13.135 1.00 0.00 WT1 H ATOM 18651 H2 TIP3 6275 -4.173 -10.963 -4.617 1.00 0.00 WT1 H ATOM 18652 OH2 TIP3 6276 2.461 0.180 -9.562 1.00 0.00 WT1 O ATOM 18653 H1 TIP3 6276 6.746 -6.745 -13.917 1.00 0.00 WT1 H ATOM 18654 H2 TIP3 6276 -0.747 -6.735 -2.454 1.00 0.00 WT1 H ATOM 18655 OH2 TIP3 6278 1.164 1.219 -3.302 1.00 0.00 WT1 O ATOM 18656 H1 TIP3 6278 -1.070 -8.599 -10.024 1.00 0.00 WT1 H ATOM 18657 H2 TIP3 6278 -8.668 -33.868 -21.102 1.00 0.00 WT1 H ATOM 18658 OH2 TIP3 6279 6.319 0.759 7.533 1.00 0.00 WT1 O ATOM 18659 H1 TIP3 6279 -6.611 -0.668 -2.882 1.00 0.00 WT1 H ATOM 18660 H2 TIP3 6279 1.239 0.763 -0.951 1.00 0.00 WT1 H ATOM 18661 OH2 TIP3 6280 8.588 -0.523 -7.965 1.00 0.00 WT1 O ATOM 18662 H1 TIP3 6280 -12.020 13.942 1.178 1.00 0.00 WT1 H ATOM 18663 H2 TIP3 6280 -9.941 14.199 2.425 1.00 0.00 WT1 H ATOM 18664 OH2 TIP3 6281 -3.126 -3.308 -3.255 1.00 0.00 WT1 O ATOM 18665 H1 TIP3 6281 27.700 -0.975 -2.950 1.00 0.00 WT1 H ATOM 18666 H2 TIP3 6281 -3.747 -2.227 -6.431 1.00 0.00 WT1 H ATOM 18667 OH2 TIP3 6282 0.399 -5.002 2.242 1.00 0.00 WT1 O ATOM 18668 H1 TIP3 6282 10.722 -37.336 4.171 1.00 0.00 WT1 H ATOM 18669 H2 TIP3 6282 10.028 -2.958 -7.666 1.00 0.00 WT1 H ATOM 18670 OH2 TIP3 6283 11.397 -1.187 -3.517 1.00 0.00 WT1 O ATOM 18671 H1 TIP3 6283 18.041 8.046 -16.778 1.00 0.00 WT1 H ATOM 18672 H2 TIP3 6283 -3.598 -3.302 -3.773 1.00 0.00 WT1 H ATOM 18673 OH2 TIP3 6284 -3.233 -0.591 -3.716 1.00 0.00 WT1 O ATOM 18674 H1 TIP3 6284 -6.887 1.775 -9.428 1.00 0.00 WT1 H ATOM 18675 H2 TIP3 6284 11.133 -18.111 -4.069 1.00 0.00 WT1 H ATOM 18676 OH2 TIP3 6285 3.003 -1.249 -3.427 1.00 0.00 WT1 O ATOM 18677 H1 TIP3 6285 19.909 -4.840 6.093 1.00 0.00 WT1 H ATOM 18678 H2 TIP3 6285 8.439 10.372 -2.123 1.00 0.00 WT1 H ATOM 18679 OH2 TIP3 6286 1.986 0.493 2.139 1.00 0.00 WT1 O ATOM 18680 H1 TIP3 6286 -11.470 -9.219 -1.648 1.00 0.00 WT1 H ATOM 18681 H2 TIP3 6286 5.970 11.018 4.043 1.00 0.00 WT1 H ATOM 18682 OH2 TIP3 6287 2.927 -4.713 -0.586 1.00 0.00 WT1 O ATOM 18683 H1 TIP3 6287 6.525 -0.289 -2.464 1.00 0.00 WT1 H ATOM 18684 H2 TIP3 6287 2.302 -5.591 -0.112 1.00 0.00 WT1 H ATOM 18685 OH2 TIP3 6288 -0.928 2.273 8.165 1.00 0.00 WT1 O ATOM 18686 H1 TIP3 6288 12.042 12.086 12.806 1.00 0.00 WT1 H ATOM 18687 H2 TIP3 6288 -4.121 4.588 -2.845 1.00 0.00 WT1 H ATOM 18688 OH2 TIP3 6289 -4.858 12.392 -0.732 1.00 0.00 WT1 O ATOM 18689 H1 TIP3 6289 -13.984 17.899 2.057 1.00 0.00 WT1 H ATOM 18690 H2 TIP3 6289 -11.378 -3.412 -1.596 1.00 0.00 WT1 H ATOM 18691 OH2 TIP3 6290 5.213 4.148 -1.641 1.00 0.00 WT1 O ATOM 18692 H1 TIP3 6290 -8.721 -11.584 8.328 1.00 0.00 WT1 H ATOM 18693 H2 TIP3 6290 3.285 9.930 -19.142 1.00 0.00 WT1 H ATOM 18694 OH2 TIP3 6291 9.363 2.806 -3.122 1.00 0.00 WT1 O ATOM 18695 H1 TIP3 6291 26.712 2.819 -4.532 1.00 0.00 WT1 H ATOM 18696 H2 TIP3 6291 19.057 13.164 1.205 1.00 0.00 WT1 H ATOM 18697 OH2 TIP3 6292 -0.811 3.383 2.755 1.00 0.00 WT1 O ATOM 18698 H1 TIP3 6292 19.021 7.480 -17.267 1.00 0.00 WT1 H ATOM 18699 H2 TIP3 6292 3.186 12.561 -0.517 1.00 0.00 WT1 H ATOM 18700 OH2 TIP3 6293 -3.304 0.716 10.709 1.00 0.00 WT1 O ATOM 18701 H1 TIP3 6293 7.839 12.521 21.143 1.00 0.00 WT1 H ATOM 18702 H2 TIP3 6293 1.387 5.674 -4.742 1.00 0.00 WT1 H ATOM 18703 OH2 TIP3 6294 -1.455 -1.674 -5.096 1.00 0.00 WT1 O ATOM 18704 H1 TIP3 6294 -5.887 -6.743 7.117 1.00 0.00 WT1 H ATOM 18705 H2 TIP3 6294 -16.661 -17.718 8.732 1.00 0.00 WT1 H ATOM 18706 OH2 TIP3 6295 -4.119 -2.634 5.247 1.00 0.00 WT1 O ATOM 18707 H1 TIP3 6295 6.935 -5.127 21.142 1.00 0.00 WT1 H ATOM 18708 H2 TIP3 6295 9.541 11.787 -16.270 1.00 0.00 WT1 H ATOM 18709 OH2 TIP3 6296 3.335 -1.745 1.603 1.00 0.00 WT1 O ATOM 18710 H1 TIP3 6296 5.579 3.831 -9.672 1.00 0.00 WT1 H ATOM 18711 H2 TIP3 6296 -13.478 3.182 5.986 1.00 0.00 WT1 H ATOM 18712 OH2 TIP3 6297 1.677 3.053 1.997 1.00 0.00 WT1 O ATOM 18713 H1 TIP3 6297 3.256 -0.139 -3.114 1.00 0.00 WT1 H ATOM 18714 H2 TIP3 6297 5.589 10.679 -3.990 1.00 0.00 WT1 H ATOM 18715 OH2 TIP3 6298 6.152 3.722 -4.828 1.00 0.00 WT1 O ATOM 18716 H1 TIP3 6298 11.006 20.815 -17.258 1.00 0.00 WT1 H ATOM 18717 H2 TIP3 6298 15.020 4.831 4.440 1.00 0.00 WT1 H ATOM 18718 OH2 TIP3 6299 1.406 4.435 -0.291 1.00 0.00 WT1 O ATOM 18719 H1 TIP3 6299 -21.355 -9.054 -5.075 1.00 0.00 WT1 H ATOM 18720 H2 TIP3 6299 5.106 24.685 -11.925 1.00 0.00 WT1 H ATOM 18721 OH2 TIP3 6300 -0.044 3.481 7.720 1.00 0.00 WT1 O ATOM 18722 H1 TIP3 6300 3.130 -14.080 8.617 1.00 0.00 WT1 H ATOM 18723 H2 TIP3 6300 1.223 -7.683 2.268 1.00 0.00 WT1 H ATOM 18724 OH2 TIP3 6301 0.878 2.673 -1.600 1.00 0.00 WT1 O ATOM 18725 H1 TIP3 6301 7.937 14.269 -1.450 1.00 0.00 WT1 H ATOM 18726 H2 TIP3 6301 -13.874 -1.086 -3.829 1.00 0.00 WT1 H ATOM 18727 OH2 TIP3 6302 0.543 0.723 -9.894 1.00 0.00 WT1 O ATOM 18728 H1 TIP3 6302 5.624 -1.883 -6.767 1.00 0.00 WT1 H ATOM 18729 H2 TIP3 6302 7.153 9.056 -27.726 1.00 0.00 WT1 H ATOM 18730 OH2 TIP3 6303 -5.517 3.517 -1.684 1.00 0.00 WT1 O ATOM 18731 H1 TIP3 6303 5.746 0.316 2.182 1.00 0.00 WT1 H ATOM 18732 H2 TIP3 6303 -3.026 0.332 -2.809 1.00 0.00 WT1 H ATOM 18733 OH2 TIP3 6304 3.755 3.816 0.154 1.00 0.00 WT1 O ATOM 18734 H1 TIP3 6304 3.328 17.462 2.407 1.00 0.00 WT1 H ATOM 18735 H2 TIP3 6304 1.688 1.717 -8.359 1.00 0.00 WT1 H ATOM 18736 OH2 TIP3 6305 3.774 0.322 0.745 1.00 0.00 WT1 O ATOM 18737 H1 TIP3 6305 16.092 17.858 -20.820 1.00 0.00 WT1 H ATOM 18738 H2 TIP3 6305 -5.214 10.812 0.528 1.00 0.00 WT1 H ATOM 18739 OH2 TIP3 6306 -0.766 8.593 1.404 1.00 0.00 WT1 O ATOM 18740 H1 TIP3 6306 -1.195 -7.083 -5.845 1.00 0.00 WT1 H ATOM 18741 H2 TIP3 6306 0.059 5.586 -0.183 1.00 0.00 WT1 H ATOM 18742 OH2 TIP3 6307 0.193 1.562 4.708 1.00 0.00 WT1 O ATOM 18743 H1 TIP3 6307 1.298 -6.409 -7.289 1.00 0.00 WT1 H ATOM 18744 H2 TIP3 6307 -9.975 -1.936 21.269 1.00 0.00 WT1 H ATOM 18745 OH2 TIP3 6308 3.771 2.329 -5.165 1.00 0.00 WT1 O ATOM 18746 H1 TIP3 6308 -9.215 16.892 3.483 1.00 0.00 WT1 H ATOM 18747 H2 TIP3 6308 1.382 1.334 -6.158 1.00 0.00 WT1 H ATOM 18748 OH2 TIP3 6309 -0.528 0.768 4.151 1.00 0.00 WT1 O ATOM 18749 H1 TIP3 6309 7.717 12.931 -7.824 1.00 0.00 WT1 H ATOM 18750 H2 TIP3 6309 -3.635 0.373 7.128 1.00 0.00 WT1 H ATOM 18751 OH2 TIP3 6310 4.309 3.954 6.918 1.00 0.00 WT1 O ATOM 18752 H1 TIP3 6310 4.291 2.895 7.920 1.00 0.00 WT1 H ATOM 18753 H2 TIP3 6310 3.538 -3.690 11.951 1.00 0.00 WT1 H ATOM 18754 OH2 TIP3 6311 4.507 -9.611 -5.628 1.00 0.00 WT1 O ATOM 18755 H1 TIP3 6311 6.002 -2.387 18.108 1.00 0.00 WT1 H ATOM 18756 H2 TIP3 6311 -6.974 -8.009 3.909 1.00 0.00 WT1 H ATOM 18757 OH2 TIP3 6312 -3.809 1.647 -3.522 1.00 0.00 WT1 O ATOM 18758 H1 TIP3 6312 -2.961 -4.049 -3.782 1.00 0.00 WT1 H ATOM 18759 H2 TIP3 6312 -9.473 -9.979 -4.134 1.00 0.00 WT1 H ATOM 18760 OH2 TIP3 6313 -6.639 -2.693 0.149 1.00 0.00 WT1 O ATOM 18761 H1 TIP3 6313 -4.685 -1.204 -1.517 1.00 0.00 WT1 H ATOM 18762 H2 TIP3 6313 42.213 -1.408 -8.273 1.00 0.00 WT1 H ATOM 18763 OH2 TIP3 6315 5.411 -0.849 -6.711 1.00 0.00 WT1 O ATOM 18764 H1 TIP3 6315 -2.132 8.664 -7.710 1.00 0.00 WT1 H ATOM 18765 H2 TIP3 6315 15.551 -18.310 -0.956 1.00 0.00 WT1 H ATOM 18766 OH2 TIP3 6316 -1.680 5.535 -0.296 1.00 0.00 WT1 O ATOM 18767 H1 TIP3 6316 -0.506 -12.756 -4.199 1.00 0.00 WT1 H ATOM 18768 H2 TIP3 6316 -2.211 -11.584 -3.804 1.00 0.00 WT1 H ATOM 18769 OH2 TIP3 6317 3.759 2.343 -4.908 1.00 0.00 WT1 O ATOM 18770 H1 TIP3 6317 14.343 7.102 -11.183 1.00 0.00 WT1 H ATOM 18771 H2 TIP3 6317 10.696 12.019 -23.564 1.00 0.00 WT1 H ATOM 18772 OH2 TIP3 6318 -4.715 -5.061 -4.135 1.00 0.00 WT1 O ATOM 18773 H1 TIP3 6318 -4.211 6.270 -5.196 1.00 0.00 WT1 H ATOM 18774 H2 TIP3 6318 12.475 12.499 8.856 1.00 0.00 WT1 H ATOM 18775 OH2 TIP3 6319 -3.099 -3.218 3.998 1.00 0.00 WT1 O ATOM 18776 H1 TIP3 6319 1.870 -5.904 -1.270 1.00 0.00 WT1 H ATOM 18777 H2 TIP3 6319 -5.060 -8.604 9.583 1.00 0.00 WT1 H ATOM 18778 OH2 TIP3 6320 6.497 -4.090 7.308 1.00 0.00 WT1 O ATOM 18779 H1 TIP3 6320 -13.624 -10.831 4.213 1.00 0.00 WT1 H ATOM 18780 H2 TIP3 6320 7.891 -28.777 -25.741 1.00 0.00 WT1 H ATOM 18781 OH2 TIP3 6321 2.601 -1.113 -0.847 1.00 0.00 WT1 O ATOM 18782 H1 TIP3 6321 4.666 26.622 5.480 1.00 0.00 WT1 H ATOM 18783 H2 TIP3 6321 -25.808 20.225 -2.294 1.00 0.00 WT1 H ATOM 18784 OH2 TIP3 6323 5.766 2.444 0.330 1.00 0.00 WT1 O ATOM 18785 H1 TIP3 6323 24.353 18.389 1.456 1.00 0.00 WT1 H ATOM 18786 H2 TIP3 6323 3.775 1.223 1.069 1.00 0.00 WT1 H ATOM 18787 OH2 TIP3 6324 -6.365 2.183 -9.827 1.00 0.00 WT1 O ATOM 18788 H1 TIP3 6324 -3.811 4.465 -9.490 1.00 0.00 WT1 H ATOM 18789 H2 TIP3 6324 -5.686 2.260 -4.284 1.00 0.00 WT1 H ATOM 18790 OH2 TIP3 6325 -1.646 -4.091 -0.965 1.00 0.00 WT1 O ATOM 18791 H1 TIP3 6325 -1.872 2.228 10.668 1.00 0.00 WT1 H ATOM 18792 H2 TIP3 6325 4.976 0.507 1.078 1.00 0.00 WT1 H ATOM 18793 OH2 TIP3 6326 -1.330 -1.630 -0.781 1.00 0.00 WT1 O ATOM 18794 H1 TIP3 6326 -4.233 -2.537 -9.421 1.00 0.00 WT1 H ATOM 18795 H2 TIP3 6326 3.434 -9.648 3.263 1.00 0.00 WT1 H ATOM 18796 OH2 TIP3 6327 1.652 -2.240 4.442 1.00 0.00 WT1 O ATOM 18797 H1 TIP3 6327 -4.383 -1.600 -11.034 1.00 0.00 WT1 H ATOM 18798 H2 TIP3 6327 8.164 9.037 9.277 1.00 0.00 WT1 H ATOM 18799 OH2 TIP3 6328 0.151 -0.164 1.634 1.00 0.00 WT1 O ATOM 18800 H1 TIP3 6328 2.692 5.162 -13.417 1.00 0.00 WT1 H ATOM 18801 H2 TIP3 6328 -4.336 -8.018 4.844 1.00 0.00 WT1 H ATOM 18802 OH2 TIP3 6329 0.857 4.001 3.725 1.00 0.00 WT1 O ATOM 18803 H1 TIP3 6329 5.330 7.785 7.052 1.00 0.00 WT1 H ATOM 18804 H2 TIP3 6329 -8.243 -8.432 6.627 1.00 0.00 WT1 H ATOM 18805 OH2 TIP3 6330 -0.993 4.736 3.239 1.00 0.00 WT1 O ATOM 18806 H1 TIP3 6330 4.430 -6.210 25.103 1.00 0.00 WT1 H ATOM 18807 H2 TIP3 6330 -8.664 -11.610 -13.597 1.00 0.00 WT1 H ATOM 18808 OH2 TIP3 6331 -0.348 -7.749 0.479 1.00 0.00 WT1 O ATOM 18809 H1 TIP3 6331 -11.325 -8.338 -4.690 1.00 0.00 WT1 H ATOM 18810 H2 TIP3 6331 9.042 -6.655 -1.799 1.00 0.00 WT1 H ATOM 18811 OH2 TIP3 6332 -0.723 1.245 0.805 1.00 0.00 WT1 O ATOM 18812 H1 TIP3 6332 -19.396 -27.297 5.552 1.00 0.00 WT1 H ATOM 18813 H2 TIP3 6332 25.845 -6.629 3.684 1.00 0.00 WT1 H ATOM 18814 OH2 TIP3 6333 6.163 -2.382 4.324 1.00 0.00 WT1 O ATOM 18815 H1 TIP3 6333 0.449 -5.067 -2.889 1.00 0.00 WT1 H ATOM 18816 H2 TIP3 6333 -11.048 15.855 20.212 1.00 0.00 WT1 H ATOM 18817 OH2 TIP3 6334 0.403 0.795 2.807 1.00 0.00 WT1 O ATOM 18818 H1 TIP3 6334 -15.171 -3.218 -6.782 1.00 0.00 WT1 H ATOM 18819 H2 TIP3 6334 -25.421 -14.566 -5.828 1.00 0.00 WT1 H ATOM 18820 OH2 TIP3 6335 -2.798 -1.544 -0.693 1.00 0.00 WT1 O ATOM 18821 H1 TIP3 6335 -0.547 -0.464 -1.255 1.00 0.00 WT1 H ATOM 18822 H2 TIP3 6335 18.630 -0.762 -5.172 1.00 0.00 WT1 H ATOM 18823 OH2 TIP3 6336 3.223 3.510 2.614 1.00 0.00 WT1 O ATOM 18824 H1 TIP3 6336 1.088 -3.371 0.881 1.00 0.00 WT1 H ATOM 18825 H2 TIP3 6336 -7.192 -5.023 -5.780 1.00 0.00 WT1 H ATOM 18826 OH2 TIP3 6337 0.183 2.183 0.311 1.00 0.00 WT1 O ATOM 18827 H1 TIP3 6337 13.840 9.078 17.771 1.00 0.00 WT1 H ATOM 18828 H2 TIP3 6337 14.066 1.267 -17.983 1.00 0.00 WT1 H ATOM 18829 OH2 TIP3 6338 2.278 -5.458 3.534 1.00 0.00 WT1 O ATOM 18830 H1 TIP3 6338 24.029 8.843 -4.848 1.00 0.00 WT1 H ATOM 18831 H2 TIP3 6338 5.042 -2.857 18.028 1.00 0.00 WT1 H ATOM 18832 OH2 TIP3 6339 5.370 2.447 -6.400 1.00 0.00 WT1 O ATOM 18833 H1 TIP3 6339 -4.551 -1.847 -22.140 1.00 0.00 WT1 H ATOM 18834 H2 TIP3 6339 -10.862 3.374 11.053 1.00 0.00 WT1 H ATOM 18835 OH2 TIP3 6340 -2.909 1.630 1.601 1.00 0.00 WT1 O ATOM 18836 H1 TIP3 6340 -1.999 1.454 5.891 1.00 0.00 WT1 H ATOM 18837 H2 TIP3 6340 6.185 10.936 3.483 1.00 0.00 WT1 H ATOM 18838 OH2 TIP3 6341 0.624 -3.018 0.078 1.00 0.00 WT1 O ATOM 18839 H1 TIP3 6341 0.339 -2.762 -7.164 1.00 0.00 WT1 H ATOM 18840 H2 TIP3 6341 2.257 -14.081 -12.361 1.00 0.00 WT1 H ATOM 18841 OH2 TIP3 6342 9.611 5.735 -2.932 1.00 0.00 WT1 O ATOM 18842 H1 TIP3 6342 7.006 12.751 -13.540 1.00 0.00 WT1 H ATOM 18843 H2 TIP3 6342 13.825 -13.084 23.821 1.00 0.00 WT1 H ATOM 18844 OH2 TIP3 6344 -0.278 3.497 -1.225 1.00 0.00 WT1 O ATOM 18845 H1 TIP3 6344 -1.882 -0.031 -12.193 1.00 0.00 WT1 H ATOM 18846 H2 TIP3 6344 0.168 19.140 13.341 1.00 0.00 WT1 H ATOM 18847 OH2 TIP3 6345 -2.076 -4.403 -1.301 1.00 0.00 WT1 O ATOM 18848 H1 TIP3 6345 -17.901 13.690 -7.486 1.00 0.00 WT1 H ATOM 18849 H2 TIP3 6345 7.938 19.204 14.058 1.00 0.00 WT1 H ATOM 18850 OH2 TIP3 6346 -7.617 1.378 5.421 1.00 0.00 WT1 O ATOM 18851 H1 TIP3 6346 -2.851 -14.303 12.288 1.00 0.00 WT1 H ATOM 18852 H2 TIP3 6346 -24.582 15.630 -6.931 1.00 0.00 WT1 H ATOM 18853 OH2 TIP3 6347 4.447 2.351 4.978 1.00 0.00 WT1 O ATOM 18854 H1 TIP3 6347 5.892 0.357 11.026 1.00 0.00 WT1 H ATOM 18855 H2 TIP3 6347 -1.653 10.263 15.712 1.00 0.00 WT1 H ATOM 18856 OH2 TIP3 6348 -8.609 2.590 -4.738 1.00 0.00 WT1 O ATOM 18857 H1 TIP3 6348 24.183 -37.995 7.973 1.00 0.00 WT1 H ATOM 18858 H2 TIP3 6348 -8.639 -23.022 -6.914 1.00 0.00 WT1 H ATOM 18859 OH2 TIP3 6349 -4.723 -6.735 1.192 1.00 0.00 WT1 O ATOM 18860 H1 TIP3 6349 0.833 0.813 0.082 1.00 0.00 WT1 H ATOM 18861 H2 TIP3 6349 -7.263 4.194 -8.112 1.00 0.00 WT1 H ATOM 18862 OH2 TIP3 6351 -7.873 -2.353 1.123 1.00 0.00 WT1 O ATOM 18863 H1 TIP3 6351 16.551 -13.025 -0.026 1.00 0.00 WT1 H ATOM 18864 H2 TIP3 6351 -17.995 8.036 -7.818 1.00 0.00 WT1 H ATOM 18865 OH2 TIP3 6352 1.276 -3.253 -0.935 1.00 0.00 WT1 O ATOM 18866 H1 TIP3 6352 2.425 -2.664 -0.974 1.00 0.00 WT1 H ATOM 18867 H2 TIP3 6352 -1.339 -0.087 -1.866 1.00 0.00 WT1 H ATOM 18868 OH2 TIP3 6353 -2.337 1.430 2.628 1.00 0.00 WT1 O ATOM 18869 H1 TIP3 6353 6.476 1.221 16.847 1.00 0.00 WT1 H ATOM 18870 H2 TIP3 6353 -1.163 1.743 2.403 1.00 0.00 WT1 H ATOM 18871 OH2 TIP3 6354 0.449 -3.053 -0.712 1.00 0.00 WT1 O ATOM 18872 H1 TIP3 6354 -8.672 -14.656 -9.881 1.00 0.00 WT1 H ATOM 18873 H2 TIP3 6354 -7.772 -12.990 5.086 1.00 0.00 WT1 H ATOM 18874 OH2 TIP3 6356 7.462 -6.512 0.943 1.00 0.00 WT1 O ATOM 18875 H1 TIP3 6356 1.631 -3.709 6.004 1.00 0.00 WT1 H ATOM 18876 H2 TIP3 6356 1.289 -3.449 -11.921 1.00 0.00 WT1 H ATOM 18877 OH2 TIP3 6357 2.529 4.370 9.611 1.00 0.00 WT1 O ATOM 18878 H1 TIP3 6357 1.030 -10.028 -6.994 1.00 0.00 WT1 H ATOM 18879 H2 TIP3 6357 6.932 -1.689 5.329 1.00 0.00 WT1 H ATOM 18880 OH2 TIP3 6358 1.271 -7.193 0.855 1.00 0.00 WT1 O ATOM 18881 H1 TIP3 6358 -2.996 -16.621 11.326 1.00 0.00 WT1 H ATOM 18882 H2 TIP3 6358 -1.868 4.561 4.594 1.00 0.00 WT1 H ATOM 18883 OH2 TIP3 6359 7.006 0.731 3.282 1.00 0.00 WT1 O ATOM 18884 H1 TIP3 6359 -21.420 -5.251 5.790 1.00 0.00 WT1 H ATOM 18885 H2 TIP3 6359 21.363 -11.022 23.845 1.00 0.00 WT1 H ATOM 18886 OH2 TIP3 6360 -1.710 -3.403 2.360 1.00 0.00 WT1 O ATOM 18887 H1 TIP3 6360 23.690 -5.726 2.559 1.00 0.00 WT1 H ATOM 18888 H2 TIP3 6360 -6.037 -4.447 1.218 1.00 0.00 WT1 H ATOM 18889 OH2 TIP3 6362 2.425 -3.240 4.014 1.00 0.00 WT1 O ATOM 18890 H1 TIP3 6362 -3.921 -2.596 29.320 1.00 0.00 WT1 H ATOM 18891 H2 TIP3 6362 -15.214 -4.544 12.037 1.00 0.00 WT1 H ATOM 18892 OH2 TIP3 6363 -1.814 0.444 -0.904 1.00 0.00 WT1 O ATOM 18893 H1 TIP3 6363 -3.479 12.779 -4.875 1.00 0.00 WT1 H ATOM 18894 H2 TIP3 6363 1.729 11.361 2.180 1.00 0.00 WT1 H ATOM 18895 OH2 TIP3 6364 -3.124 -2.017 -3.705 1.00 0.00 WT1 O ATOM 18896 H1 TIP3 6364 -24.609 4.126 6.888 1.00 0.00 WT1 H ATOM 18897 H2 TIP3 6364 10.678 -10.117 16.374 1.00 0.00 WT1 H ATOM 18898 OH2 TIP3 6365 -1.882 1.973 3.438 1.00 0.00 WT1 O ATOM 18899 H1 TIP3 6365 -17.451 25.087 19.867 1.00 0.00 WT1 H ATOM 18900 H2 TIP3 6365 -28.910 -10.507 17.179 1.00 0.00 WT1 H ATOM 18901 OH2 TIP3 6366 3.873 5.552 2.169 1.00 0.00 WT1 O ATOM 18902 H1 TIP3 6366 -14.473 -12.908 -16.390 1.00 0.00 WT1 H ATOM 18903 H2 TIP3 6366 -6.258 -0.782 11.187 1.00 0.00 WT1 H ATOM 18904 OH2 TIP3 6367 3.640 1.822 7.211 1.00 0.00 WT1 O ATOM 18905 H1 TIP3 6367 14.026 9.503 5.214 1.00 0.00 WT1 H ATOM 18906 H2 TIP3 6367 0.713 0.462 -5.516 1.00 0.00 WT1 H ATOM 18907 OH2 TIP3 6368 -4.148 -1.713 0.171 1.00 0.00 WT1 O ATOM 18908 H1 TIP3 6368 0.335 -14.033 4.212 1.00 0.00 WT1 H ATOM 18909 H2 TIP3 6368 11.189 -9.871 4.019 1.00 0.00 WT1 H ATOM 18910 OH2 TIP3 6369 -4.640 0.333 -6.524 1.00 0.00 WT1 O ATOM 18911 H1 TIP3 6369 -0.181 -23.918 -2.298 1.00 0.00 WT1 H ATOM 18912 H2 TIP3 6369 -6.218 -5.644 4.750 1.00 0.00 WT1 H ATOM 18913 OH2 TIP3 6370 1.560 1.640 0.014 1.00 0.00 WT1 O ATOM 18914 H1 TIP3 6370 7.492 -26.460 -12.076 1.00 0.00 WT1 H ATOM 18915 H2 TIP3 6370 -5.457 -6.929 -7.924 1.00 0.00 WT1 H ATOM 18916 OH2 TIP3 6371 -0.266 5.560 -10.753 1.00 0.00 WT1 O ATOM 18917 H1 TIP3 6371 -1.584 -9.873 8.227 1.00 0.00 WT1 H ATOM 18918 H2 TIP3 6371 -0.771 -1.480 -2.063 1.00 0.00 WT1 H ATOM 18919 OH2 TIP3 6372 -3.890 0.184 -0.306 1.00 0.00 WT1 O ATOM 18920 H1 TIP3 6372 0.826 -0.710 -10.940 1.00 0.00 WT1 H ATOM 18921 H2 TIP3 6372 -3.044 -3.867 -9.591 1.00 0.00 WT1 H ATOM 18922 OH2 TIP3 6373 -2.285 5.148 3.566 1.00 0.00 WT1 O ATOM 18923 H1 TIP3 6373 -18.306 -10.037 4.413 1.00 0.00 WT1 H ATOM 18924 H2 TIP3 6373 -7.830 -13.402 6.898 1.00 0.00 WT1 H ATOM 18925 OH2 TIP3 6374 -0.515 4.307 -2.630 1.00 0.00 WT1 O ATOM 18926 H1 TIP3 6374 6.637 4.972 -2.007 1.00 0.00 WT1 H ATOM 18927 H2 TIP3 6374 1.508 -18.090 1.283 1.00 0.00 WT1 H ATOM 18928 OH2 TIP3 6375 0.085 -1.549 1.943 1.00 0.00 WT1 O ATOM 18929 H1 TIP3 6375 8.658 -18.984 4.359 1.00 0.00 WT1 H ATOM 18930 H2 TIP3 6375 34.085 -21.636 -9.920 1.00 0.00 WT1 H ATOM 18931 OH2 TIP3 6377 7.263 -0.253 -1.241 1.00 0.00 WT1 O ATOM 18932 H1 TIP3 6377 12.303 -5.339 2.491 1.00 0.00 WT1 H ATOM 18933 H2 TIP3 6377 7.773 1.424 -0.548 1.00 0.00 WT1 H ATOM 18934 OH2 TIP3 6379 -1.805 4.798 1.702 1.00 0.00 WT1 O ATOM 18935 H1 TIP3 6379 4.020 2.382 0.748 1.00 0.00 WT1 H ATOM 18936 H2 TIP3 6379 9.199 -5.685 -0.010 1.00 0.00 WT1 H ATOM 18937 OH2 TIP3 6380 -0.049 -3.841 0.666 1.00 0.00 WT1 O ATOM 18938 H1 TIP3 6380 1.191 -3.457 3.344 1.00 0.00 WT1 H ATOM 18939 H2 TIP3 6380 4.009 1.337 1.096 1.00 0.00 WT1 H ATOM 18940 OH2 TIP3 6381 4.343 -2.020 -1.327 1.00 0.00 WT1 O ATOM 18941 H1 TIP3 6381 -17.952 -16.405 -21.034 1.00 0.00 WT1 H ATOM 18942 H2 TIP3 6381 9.901 -0.498 8.563 1.00 0.00 WT1 H ATOM 18943 OH2 TIP3 6382 3.601 2.545 -3.286 1.00 0.00 WT1 O ATOM 18944 H1 TIP3 6382 -3.271 12.481 7.792 1.00 0.00 WT1 H ATOM 18945 H2 TIP3 6382 5.539 16.870 -8.834 1.00 0.00 WT1 H ATOM 18946 OH2 TIP3 6383 -3.132 -3.342 4.391 1.00 0.00 WT1 O ATOM 18947 H1 TIP3 6383 -41.251 -5.745 -21.089 1.00 0.00 WT1 H ATOM 18948 H2 TIP3 6383 22.888 3.852 -18.831 1.00 0.00 WT1 H ATOM 18949 OH2 TIP3 6384 -1.727 -1.846 3.987 1.00 0.00 WT1 O ATOM 18950 H1 TIP3 6384 3.516 -3.206 -4.552 1.00 0.00 WT1 H ATOM 18951 H2 TIP3 6384 -3.311 10.460 -0.148 1.00 0.00 WT1 H ATOM 18952 OH2 TIP3 6385 -0.961 1.024 1.164 1.00 0.00 WT1 O ATOM 18953 H1 TIP3 6385 13.295 15.223 7.265 1.00 0.00 WT1 H ATOM 18954 H2 TIP3 6385 -2.668 -2.076 -1.254 1.00 0.00 WT1 H ATOM 18955 OH2 TIP3 6386 -5.967 0.316 1.880 1.00 0.00 WT1 O ATOM 18956 H1 TIP3 6386 -4.541 -1.403 23.088 1.00 0.00 WT1 H ATOM 18957 H2 TIP3 6386 13.584 6.199 26.878 1.00 0.00 WT1 H ATOM 18958 OH2 TIP3 6387 -2.023 0.741 -3.796 1.00 0.00 WT1 O ATOM 18959 H1 TIP3 6387 -18.874 -19.286 16.699 1.00 0.00 WT1 H ATOM 18960 H2 TIP3 6387 0.710 -1.256 0.063 1.00 0.00 WT1 H ATOM 18961 OH2 TIP3 6388 -0.934 -3.847 -2.215 1.00 0.00 WT1 O ATOM 18962 H1 TIP3 6388 5.335 -2.706 -2.500 1.00 0.00 WT1 H ATOM 18963 H2 TIP3 6388 4.040 -0.889 -0.973 1.00 0.00 WT1 H ATOM 18964 OH2 TIP3 6389 -0.049 6.364 -5.324 1.00 0.00 WT1 O ATOM 18965 H1 TIP3 6389 5.000 14.657 -18.121 1.00 0.00 WT1 H ATOM 18966 H2 TIP3 6389 1.884 8.331 -3.906 1.00 0.00 WT1 H ATOM 18967 OH2 TIP3 6390 -0.480 -3.750 -3.711 1.00 0.00 WT1 O ATOM 18968 H1 TIP3 6390 22.845 -23.265 -8.779 1.00 0.00 WT1 H ATOM 18969 H2 TIP3 6390 13.454 -11.678 -7.823 1.00 0.00 WT1 H ATOM 18970 OH2 TIP3 6391 3.526 6.584 -2.294 1.00 0.00 WT1 O ATOM 18971 H1 TIP3 6391 -0.682 20.851 0.264 1.00 0.00 WT1 H ATOM 18972 H2 TIP3 6391 17.872 5.696 -4.046 1.00 0.00 WT1 H ATOM 18973 OH2 TIP3 6392 -5.374 6.826 4.376 1.00 0.00 WT1 O ATOM 18974 H1 TIP3 6392 -3.758 13.735 6.531 1.00 0.00 WT1 H ATOM 18975 H2 TIP3 6392 0.378 0.558 -2.349 1.00 0.00 WT1 H ATOM 18976 OH2 TIP3 6393 0.916 -1.408 -4.254 1.00 0.00 WT1 O ATOM 18977 H1 TIP3 6393 17.272 -20.270 17.137 1.00 0.00 WT1 H ATOM 18978 H2 TIP3 6393 -10.722 12.152 -17.209 1.00 0.00 WT1 H ATOM 18979 OH2 TIP3 6394 1.362 0.421 4.392 1.00 0.00 WT1 O ATOM 18980 H1 TIP3 6394 -8.523 -3.469 -15.106 1.00 0.00 WT1 H ATOM 18981 H2 TIP3 6394 -6.999 -0.971 -8.825 1.00 0.00 WT1 H ATOM 18982 OH2 TIP3 6395 1.902 -7.432 -3.147 1.00 0.00 WT1 O ATOM 18983 H1 TIP3 6395 -7.057 15.482 3.042 1.00 0.00 WT1 H ATOM 18984 H2 TIP3 6395 10.666 -22.239 -20.075 1.00 0.00 WT1 H ATOM 18985 OH2 TIP3 6396 -0.859 0.202 -3.721 1.00 0.00 WT1 O ATOM 18986 H1 TIP3 6396 13.767 3.201 -6.089 1.00 0.00 WT1 H ATOM 18987 H2 TIP3 6396 -1.924 -11.499 -1.333 1.00 0.00 WT1 H ATOM 18988 OH2 TIP3 6397 4.689 -5.056 -2.428 1.00 0.00 WT1 O ATOM 18989 H1 TIP3 6397 -23.632 -12.581 6.382 1.00 0.00 WT1 H ATOM 18990 H2 TIP3 6397 16.389 -1.209 -6.024 1.00 0.00 WT1 H ATOM 18991 OH2 TIP3 6400 -1.037 -0.181 -1.778 1.00 0.00 WT1 O ATOM 18992 H1 TIP3 6400 -5.867 0.994 -1.070 1.00 0.00 WT1 H ATOM 18993 H2 TIP3 6400 2.208 -0.555 -1.852 1.00 0.00 WT1 H ATOM 18994 OH2 TIP3 6401 -1.089 -4.571 -1.324 1.00 0.00 WT1 O ATOM 18995 H1 TIP3 6401 26.626 -8.104 -10.669 1.00 0.00 WT1 H ATOM 18996 H2 TIP3 6401 -22.098 -9.301 17.732 1.00 0.00 WT1 H ATOM 18997 OH2 TIP3 6402 1.967 5.327 4.015 1.00 0.00 WT1 O ATOM 18998 H1 TIP3 6402 -17.688 -21.263 -19.477 1.00 0.00 WT1 H ATOM 18999 H2 TIP3 6402 -14.802 -17.833 -18.104 1.00 0.00 WT1 H ATOM 19000 OH2 TIP3 6403 2.693 -1.293 -2.180 1.00 0.00 WT1 O ATOM 19001 H1 TIP3 6403 4.323 8.486 8.989 1.00 0.00 WT1 H ATOM 19002 H2 TIP3 6403 17.766 -17.099 9.667 1.00 0.00 WT1 H ATOM 19003 OH2 TIP3 6404 -1.138 1.625 -3.735 1.00 0.00 WT1 O ATOM 19004 H1 TIP3 6404 5.061 1.156 16.474 1.00 0.00 WT1 H ATOM 19005 H2 TIP3 6404 -14.099 -3.863 1.715 1.00 0.00 WT1 H ATOM 19006 OH2 TIP3 6406 1.827 -0.421 -1.458 1.00 0.00 WT1 O ATOM 19007 H1 TIP3 6406 -6.723 -10.231 10.165 1.00 0.00 WT1 H ATOM 19008 H2 TIP3 6406 0.147 10.268 -15.693 1.00 0.00 WT1 H ATOM 19009 OH2 TIP3 6407 1.930 -5.247 2.705 1.00 0.00 WT1 O ATOM 19010 H1 TIP3 6407 -7.826 -18.109 9.398 1.00 0.00 WT1 H ATOM 19011 H2 TIP3 6407 -4.386 -11.941 -2.088 1.00 0.00 WT1 H ATOM 19012 OH2 TIP3 6408 9.830 2.886 7.381 1.00 0.00 WT1 O ATOM 19013 H1 TIP3 6408 20.094 12.241 4.687 1.00 0.00 WT1 H ATOM 19014 H2 TIP3 6408 -4.336 -8.456 11.295 1.00 0.00 WT1 H ATOM 19015 OH2 TIP3 6409 1.152 -3.548 -4.083 1.00 0.00 WT1 O ATOM 19016 H1 TIP3 6409 15.917 -25.893 -1.790 1.00 0.00 WT1 H ATOM 19017 H2 TIP3 6409 -11.657 -1.476 -3.383 1.00 0.00 WT1 H ATOM 19018 OH2 TIP3 6410 1.555 -1.082 -0.505 1.00 0.00 WT1 O ATOM 19019 H1 TIP3 6410 -5.097 5.262 -2.315 1.00 0.00 WT1 H ATOM 19020 H2 TIP3 6410 12.277 8.737 -11.392 1.00 0.00 WT1 H ATOM 19021 OH2 TIP3 6411 -2.929 8.319 4.214 1.00 0.00 WT1 O ATOM 19022 H1 TIP3 6411 8.401 14.475 14.586 1.00 0.00 WT1 H ATOM 19023 H2 TIP3 6411 -0.671 6.344 2.733 1.00 0.00 WT1 H ATOM 19024 OH2 TIP3 6412 2.664 -5.591 2.650 1.00 0.00 WT1 O ATOM 19025 H1 TIP3 6412 1.809 9.935 17.780 1.00 0.00 WT1 H ATOM 19026 H2 TIP3 6412 -32.760 -10.410 4.679 1.00 0.00 WT1 H ATOM 19027 OH2 TIP3 6413 -4.672 3.722 4.353 1.00 0.00 WT1 O ATOM 19028 H1 TIP3 6413 -15.370 -14.497 -4.455 1.00 0.00 WT1 H ATOM 19029 H2 TIP3 6413 -16.994 -18.903 -7.231 1.00 0.00 WT1 H ATOM 19030 OH2 TIP3 6415 1.022 -0.384 0.110 1.00 0.00 WT1 O ATOM 19031 H1 TIP3 6415 5.736 26.811 2.938 1.00 0.00 WT1 H ATOM 19032 H2 TIP3 6415 29.659 8.611 13.779 1.00 0.00 WT1 H ATOM 19033 OH2 TIP3 6417 2.044 0.810 -3.713 1.00 0.00 WT1 O ATOM 19034 H1 TIP3 6417 12.880 8.342 27.698 1.00 0.00 WT1 H ATOM 19035 H2 TIP3 6417 -19.977 13.944 -5.438 1.00 0.00 WT1 H ATOM 19036 OH2 TIP3 6418 3.942 -1.574 -2.796 1.00 0.00 WT1 O ATOM 19037 H1 TIP3 6418 -0.317 -3.829 4.953 1.00 0.00 WT1 H ATOM 19038 H2 TIP3 6418 2.611 -3.243 1.316 1.00 0.00 WT1 H ATOM 19039 OH2 TIP3 6419 -0.782 -4.159 1.044 1.00 0.00 WT1 O ATOM 19040 H1 TIP3 6419 -16.344 1.533 3.993 1.00 0.00 WT1 H ATOM 19041 H2 TIP3 6419 10.005 9.674 -0.614 1.00 0.00 WT1 H ATOM 19042 OH2 TIP3 6420 1.543 2.941 -2.789 1.00 0.00 WT1 O ATOM 19043 H1 TIP3 6420 20.388 -19.999 -10.817 1.00 0.00 WT1 H ATOM 19044 H2 TIP3 6420 16.783 17.608 18.696 1.00 0.00 WT1 H ATOM 19045 OH2 TIP3 6421 -2.691 -1.251 3.651 1.00 0.00 WT1 O ATOM 19046 H1 TIP3 6421 3.648 -0.210 -2.622 1.00 0.00 WT1 H ATOM 19047 H2 TIP3 6421 -6.644 -11.597 9.440 1.00 0.00 WT1 H ATOM 19048 OH2 TIP3 6422 3.604 3.249 5.198 1.00 0.00 WT1 O ATOM 19049 H1 TIP3 6422 -4.936 -16.864 -7.469 1.00 0.00 WT1 H ATOM 19050 H2 TIP3 6422 12.587 -2.460 6.447 1.00 0.00 WT1 H ATOM 19051 OH2 TIP3 6424 0.837 4.572 1.166 1.00 0.00 WT1 O ATOM 19052 H1 TIP3 6424 -2.402 4.701 -7.765 1.00 0.00 WT1 H ATOM 19053 H2 TIP3 6424 -8.079 13.363 -1.204 1.00 0.00 WT1 H ATOM 19054 OH2 TIP3 6425 7.029 2.129 -4.907 1.00 0.00 WT1 O ATOM 19055 H1 TIP3 6425 3.261 -5.407 -8.699 1.00 0.00 WT1 H ATOM 19056 H2 TIP3 6425 4.879 2.484 10.118 1.00 0.00 WT1 H ATOM 19057 OH2 TIP3 6427 1.220 4.248 -0.375 1.00 0.00 WT1 O ATOM 19058 H1 TIP3 6427 -11.942 -34.415 -4.426 1.00 0.00 WT1 H ATOM 19059 H2 TIP3 6427 -5.355 18.499 4.504 1.00 0.00 WT1 H ATOM 19060 OH2 TIP3 6428 3.797 -4.561 2.108 1.00 0.00 WT1 O ATOM 19061 H1 TIP3 6428 1.645 5.989 7.596 1.00 0.00 WT1 H ATOM 19062 H2 TIP3 6428 -1.797 -10.396 -10.312 1.00 0.00 WT1 H ATOM 19063 OH2 TIP3 6429 -2.264 -2.742 -0.477 1.00 0.00 WT1 O ATOM 19064 H1 TIP3 6429 -8.700 17.234 10.649 1.00 0.00 WT1 H ATOM 19065 H2 TIP3 6429 -9.148 -13.167 -3.404 1.00 0.00 WT1 H ATOM 19066 OH2 TIP3 6430 -0.469 0.502 1.982 1.00 0.00 WT1 O ATOM 19067 H1 TIP3 6430 -6.382 1.582 13.146 1.00 0.00 WT1 H ATOM 19068 H2 TIP3 6430 4.958 3.146 -10.233 1.00 0.00 WT1 H ATOM 19069 OH2 TIP3 6431 0.093 1.283 1.782 1.00 0.00 WT1 O ATOM 19070 H1 TIP3 6431 4.059 16.656 -10.035 1.00 0.00 WT1 H ATOM 19071 H2 TIP3 6431 16.010 -0.398 13.019 1.00 0.00 WT1 H ATOM 19072 OH2 TIP3 6432 0.791 -2.864 -1.827 1.00 0.00 WT1 O ATOM 19073 H1 TIP3 6432 7.525 -10.630 -1.483 1.00 0.00 WT1 H ATOM 19074 H2 TIP3 6432 -11.123 13.177 -13.239 1.00 0.00 WT1 H ATOM 19075 OH2 TIP3 6433 4.750 -4.419 2.731 1.00 0.00 WT1 O ATOM 19076 H1 TIP3 6433 1.764 -0.097 26.287 1.00 0.00 WT1 H ATOM 19077 H2 TIP3 6433 10.947 -2.161 30.759 1.00 0.00 WT1 H ATOM 19078 OH2 TIP3 6434 5.416 1.595 7.599 1.00 0.00 WT1 O ATOM 19079 H1 TIP3 6434 11.359 12.171 9.970 1.00 0.00 WT1 H ATOM 19080 H2 TIP3 6434 -10.572 -12.615 2.675 1.00 0.00 WT1 H ATOM 19081 OH2 TIP3 6435 -7.724 2.215 -1.047 1.00 0.00 WT1 O ATOM 19082 H1 TIP3 6435 5.862 3.183 -0.285 1.00 0.00 WT1 H ATOM 19083 H2 TIP3 6435 4.044 -2.932 6.427 1.00 0.00 WT1 H ATOM 19084 OH2 TIP3 6436 0.207 3.620 0.944 1.00 0.00 WT1 O ATOM 19085 H1 TIP3 6436 -8.527 7.963 -0.485 1.00 0.00 WT1 H ATOM 19086 H2 TIP3 6436 18.158 8.217 8.475 1.00 0.00 WT1 H ATOM 19087 OH2 TIP3 6437 4.636 -5.867 2.674 1.00 0.00 WT1 O ATOM 19088 H1 TIP3 6437 6.293 2.255 -5.165 1.00 0.00 WT1 H ATOM 19089 H2 TIP3 6437 33.612 18.980 -2.715 1.00 0.00 WT1 H ATOM 19090 OH2 TIP3 6438 -4.374 -2.788 -4.451 1.00 0.00 WT1 O ATOM 19091 H1 TIP3 6438 -17.433 1.819 12.866 1.00 0.00 WT1 H ATOM 19092 H2 TIP3 6438 6.299 -1.650 -9.538 1.00 0.00 WT1 H ATOM 19093 OH2 TIP3 6439 -0.304 0.797 -3.333 1.00 0.00 WT1 O ATOM 19094 H1 TIP3 6439 -1.630 -4.257 -16.105 1.00 0.00 WT1 H ATOM 19095 H2 TIP3 6439 9.821 0.265 -11.227 1.00 0.00 WT1 H ATOM 19096 OH2 TIP3 6440 -4.555 -0.046 3.338 1.00 0.00 WT1 O ATOM 19097 H1 TIP3 6440 9.695 12.588 -0.557 1.00 0.00 WT1 H ATOM 19098 H2 TIP3 6440 -24.054 12.733 -5.742 1.00 0.00 WT1 H ATOM 19099 OH2 TIP3 6441 11.826 1.045 -3.216 1.00 0.00 WT1 O ATOM 19100 H1 TIP3 6441 15.533 -2.794 3.573 1.00 0.00 WT1 H ATOM 19101 H2 TIP3 6441 11.951 -20.813 9.855 1.00 0.00 WT1 H ATOM 19102 OH2 TIP3 6442 -4.913 -0.477 4.375 1.00 0.00 WT1 O ATOM 19103 H1 TIP3 6442 -16.573 -4.302 -4.537 1.00 0.00 WT1 H ATOM 19104 H2 TIP3 6442 1.505 9.561 5.262 1.00 0.00 WT1 H ATOM 19105 OH2 TIP3 6443 -3.541 4.115 0.467 1.00 0.00 WT1 O ATOM 19106 H1 TIP3 6443 7.425 16.439 -3.142 1.00 0.00 WT1 H ATOM 19107 H2 TIP3 6443 -24.904 -14.030 4.822 1.00 0.00 WT1 H ATOM 19108 OH2 TIP3 6444 0.839 -0.925 9.536 1.00 0.00 WT1 O ATOM 19109 H1 TIP3 6444 -14.533 30.334 6.983 1.00 0.00 WT1 H ATOM 19110 H2 TIP3 6444 5.465 -2.462 14.547 1.00 0.00 WT1 H ATOM 19111 OH2 TIP3 6446 5.715 -5.398 1.112 1.00 0.00 WT1 O ATOM 19112 H1 TIP3 6446 8.697 -17.952 2.777 1.00 0.00 WT1 H ATOM 19113 H2 TIP3 6446 -1.731 29.047 -9.600 1.00 0.00 WT1 H ATOM 19114 OH2 TIP3 6448 10.388 2.759 -0.184 1.00 0.00 WT1 O ATOM 19115 H1 TIP3 6448 -16.391 8.578 2.319 1.00 0.00 WT1 H ATOM 19116 H2 TIP3 6448 22.380 -6.726 5.448 1.00 0.00 WT1 H ATOM 19117 OH2 TIP3 6449 -2.777 1.486 -3.760 1.00 0.00 WT1 O ATOM 19118 H1 TIP3 6449 -22.542 -23.896 6.503 1.00 0.00 WT1 H ATOM 19119 H2 TIP3 6449 -11.356 -8.238 -21.976 1.00 0.00 WT1 H ATOM 19120 OH2 TIP3 6450 0.583 1.337 0.252 1.00 0.00 WT1 O ATOM 19121 H1 TIP3 6450 0.663 3.559 -2.901 1.00 0.00 WT1 H ATOM 19122 H2 TIP3 6450 -7.805 7.972 15.873 1.00 0.00 WT1 H ATOM 19123 OH2 TIP3 6451 1.374 -1.031 5.356 1.00 0.00 WT1 O ATOM 19124 H1 TIP3 6451 1.089 -4.375 19.505 1.00 0.00 WT1 H ATOM 19125 H2 TIP3 6451 -0.655 -13.330 -1.186 1.00 0.00 WT1 H ATOM 19126 OH2 TIP3 6452 4.683 1.852 1.430 1.00 0.00 WT1 O ATOM 19127 H1 TIP3 6452 12.175 -4.852 6.817 1.00 0.00 WT1 H ATOM 19128 H2 TIP3 6452 10.307 -0.163 12.067 1.00 0.00 WT1 H ATOM 19129 OH2 TIP3 6453 5.244 -3.782 1.053 1.00 0.00 WT1 O ATOM 19130 H1 TIP3 6453 -5.937 -17.251 -11.334 1.00 0.00 WT1 H ATOM 19131 H2 TIP3 6453 4.035 -2.216 0.273 1.00 0.00 WT1 H ATOM 19132 OH2 TIP3 6454 -3.211 -0.604 3.395 1.00 0.00 WT1 O ATOM 19133 H1 TIP3 6454 3.059 7.835 3.019 1.00 0.00 WT1 H ATOM 19134 H2 TIP3 6454 -20.674 11.912 -15.747 1.00 0.00 WT1 H ATOM 19135 OH2 TIP3 6455 0.505 4.545 -9.920 1.00 0.00 WT1 O ATOM 19136 H1 TIP3 6455 5.778 20.588 -0.282 1.00 0.00 WT1 H ATOM 19137 H2 TIP3 6455 -8.583 11.774 -25.765 1.00 0.00 WT1 H ATOM 19138 OH2 TIP3 6456 2.953 -5.144 1.936 1.00 0.00 WT1 O ATOM 19139 H1 TIP3 6456 20.470 4.995 -3.688 1.00 0.00 WT1 H ATOM 19140 H2 TIP3 6456 -10.573 -14.978 5.768 1.00 0.00 WT1 H ATOM 19141 OH2 TIP3 6457 -7.825 -0.565 -6.592 1.00 0.00 WT1 O ATOM 19142 H1 TIP3 6457 -1.072 2.114 -19.141 1.00 0.00 WT1 H ATOM 19143 H2 TIP3 6457 -21.518 9.688 12.199 1.00 0.00 WT1 H ATOM 19144 OH2 TIP3 6461 0.266 1.215 2.024 1.00 0.00 WT1 O ATOM 19145 H1 TIP3 6461 0.914 31.180 -3.594 1.00 0.00 WT1 H ATOM 19146 H2 TIP3 6461 -16.569 -5.183 1.604 1.00 0.00 WT1 H ATOM 19147 OH2 TIP3 6462 0.291 -2.369 5.264 1.00 0.00 WT1 O ATOM 19148 H1 TIP3 6462 10.535 -13.403 7.464 1.00 0.00 WT1 H ATOM 19149 H2 TIP3 6462 -8.942 7.578 -7.077 1.00 0.00 WT1 H ATOM 19150 OH2 TIP3 6464 0.028 4.312 -1.448 1.00 0.00 WT1 O ATOM 19151 H1 TIP3 6464 -13.893 7.764 2.873 1.00 0.00 WT1 H ATOM 19152 H2 TIP3 6464 4.412 13.965 5.995 1.00 0.00 WT1 H ATOM 19153 OH2 TIP3 6465 -2.141 2.982 3.039 1.00 0.00 WT1 O ATOM 19154 H1 TIP3 6465 7.052 8.630 -3.668 1.00 0.00 WT1 H ATOM 19155 H2 TIP3 6465 -6.624 -14.457 -6.379 1.00 0.00 WT1 H ATOM 19156 OH2 TIP3 6467 0.718 -3.685 1.545 1.00 0.00 WT1 O ATOM 19157 H1 TIP3 6467 14.194 -6.574 -16.262 1.00 0.00 WT1 H ATOM 19158 H2 TIP3 6467 13.245 1.383 20.667 1.00 0.00 WT1 H ATOM 19159 OH2 TIP3 6468 -5.179 -5.967 -2.022 1.00 0.00 WT1 O ATOM 19160 H1 TIP3 6468 -4.202 -29.302 -16.877 1.00 0.00 WT1 H ATOM 19161 H2 TIP3 6468 30.783 23.106 18.189 1.00 0.00 WT1 H ATOM 19162 OH2 TIP3 6469 -3.903 10.508 3.864 1.00 0.00 WT1 O ATOM 19163 H1 TIP3 6469 -2.124 11.509 2.477 1.00 0.00 WT1 H ATOM 19164 H2 TIP3 6469 0.828 14.875 5.300 1.00 0.00 WT1 H ATOM 19165 OH2 TIP3 6470 -3.819 -3.153 2.382 1.00 0.00 WT1 O ATOM 19166 H1 TIP3 6470 -0.750 -11.118 -17.305 1.00 0.00 WT1 H ATOM 19167 H2 TIP3 6470 -9.282 12.037 -23.465 1.00 0.00 WT1 H ATOM 19168 OH2 TIP3 6471 -0.235 7.790 -3.533 1.00 0.00 WT1 O ATOM 19169 H1 TIP3 6471 -3.688 -8.666 8.044 1.00 0.00 WT1 H ATOM 19170 H2 TIP3 6471 18.634 7.272 0.128 1.00 0.00 WT1 H ATOM 19171 OH2 TIP3 6472 0.709 -4.227 -0.991 1.00 0.00 WT1 O ATOM 19172 H1 TIP3 6472 -16.587 16.379 1.635 1.00 0.00 WT1 H ATOM 19173 H2 TIP3 6472 6.694 -13.834 -8.859 1.00 0.00 WT1 H ATOM 19174 OH2 TIP3 6474 3.010 5.143 2.748 1.00 0.00 WT1 O ATOM 19175 H1 TIP3 6474 19.791 8.708 11.091 1.00 0.00 WT1 H ATOM 19176 H2 TIP3 6474 -0.541 -14.822 5.093 1.00 0.00 WT1 H ATOM 19177 OH2 TIP3 6475 -1.079 2.282 2.669 1.00 0.00 WT1 O ATOM 19178 H1 TIP3 6475 -0.313 9.501 -8.813 1.00 0.00 WT1 H ATOM 19179 H2 TIP3 6475 3.863 -2.022 30.826 1.00 0.00 WT1 H ATOM 19180 OH2 TIP3 6476 2.643 -5.315 8.111 1.00 0.00 WT1 O ATOM 19181 H1 TIP3 6476 -17.457 -4.762 11.488 1.00 0.00 WT1 H ATOM 19182 H2 TIP3 6476 -3.488 -8.053 -5.907 1.00 0.00 WT1 H ATOM 19183 OH2 TIP3 6478 -2.238 -6.596 -3.408 1.00 0.00 WT1 O ATOM 19184 H1 TIP3 6478 -16.238 -12.320 -3.933 1.00 0.00 WT1 H ATOM 19185 H2 TIP3 6478 -14.287 4.875 3.867 1.00 0.00 WT1 H ATOM 19186 OH2 TIP3 6479 4.067 -4.834 -0.401 1.00 0.00 WT1 O ATOM 19187 H1 TIP3 6479 -7.371 5.858 -4.277 1.00 0.00 WT1 H ATOM 19188 H2 TIP3 6479 -8.061 16.601 -14.596 1.00 0.00 WT1 H ATOM 19189 OH2 TIP3 6481 -5.862 -2.906 -3.479 1.00 0.00 WT1 O ATOM 19190 H1 TIP3 6481 6.782 -5.947 10.670 1.00 0.00 WT1 H ATOM 19191 H2 TIP3 6481 -24.491 -12.500 8.832 1.00 0.00 WT1 H ATOM 19192 OH2 TIP3 6482 -2.073 -0.835 1.393 1.00 0.00 WT1 O ATOM 19193 H1 TIP3 6482 14.918 2.682 25.167 1.00 0.00 WT1 H ATOM 19194 H2 TIP3 6482 -13.757 0.182 1.114 1.00 0.00 WT1 H ATOM 19195 OH2 TIP3 6483 -3.988 -3.777 7.063 1.00 0.00 WT1 O ATOM 19196 H1 TIP3 6483 -10.225 -16.954 10.825 1.00 0.00 WT1 H ATOM 19197 H2 TIP3 6483 -0.917 3.737 3.038 1.00 0.00 WT1 H ATOM 19198 OH2 TIP3 6486 -2.535 0.852 -1.269 1.00 0.00 WT1 O ATOM 19199 H1 TIP3 6486 -16.635 -0.810 2.404 1.00 0.00 WT1 H ATOM 19200 H2 TIP3 6486 -27.544 12.425 7.540 1.00 0.00 WT1 H ATOM 19201 OH2 TIP3 6488 -0.546 -1.420 -0.574 1.00 0.00 WT1 O ATOM 19202 H1 TIP3 6488 -4.552 -14.560 31.807 1.00 0.00 WT1 H ATOM 19203 H2 TIP3 6488 -0.031 1.680 -10.545 1.00 0.00 WT1 H ATOM 19204 OH2 TIP3 6489 0.147 -9.310 11.434 1.00 0.00 WT1 O ATOM 19205 H1 TIP3 6489 -0.161 -4.047 34.406 1.00 0.00 WT1 H ATOM 19206 H2 TIP3 6489 0.733 -15.983 -23.673 1.00 0.00 WT1 H ATOM 19207 OH2 TIP3 6490 4.432 4.020 7.211 1.00 0.00 WT1 O ATOM 19208 H1 TIP3 6490 11.641 11.110 13.578 1.00 0.00 WT1 H ATOM 19209 H2 TIP3 6490 2.674 25.204 20.969 1.00 0.00 WT1 H ATOM 19210 OH2 TIP3 6491 5.157 1.874 -1.195 1.00 0.00 WT1 O ATOM 19211 H1 TIP3 6491 10.754 0.952 -2.755 1.00 0.00 WT1 H ATOM 19212 H2 TIP3 6491 3.020 -0.863 0.512 1.00 0.00 WT1 H ATOM 19213 OH2 TIP3 6492 -12.076 -1.433 4.850 1.00 0.00 WT1 O ATOM 19214 H1 TIP3 6492 -2.728 -6.902 -11.447 1.00 0.00 WT1 H ATOM 19215 H2 TIP3 6492 -17.687 -0.168 12.676 1.00 0.00 WT1 H ATOM 19216 OH2 TIP3 6493 -3.754 8.539 0.418 1.00 0.00 WT1 O ATOM 19217 H1 TIP3 6493 5.451 20.831 -9.814 1.00 0.00 WT1 H ATOM 19218 H2 TIP3 6493 -16.237 7.284 -13.250 1.00 0.00 WT1 H ATOM 19219 OH2 TIP3 6494 -0.765 -3.669 1.608 1.00 0.00 WT1 O ATOM 19220 H1 TIP3 6494 33.887 3.670 8.274 1.00 0.00 WT1 H ATOM 19221 H2 TIP3 6494 -5.256 12.022 -7.528 1.00 0.00 WT1 H ATOM 19222 OH2 TIP3 6495 6.641 1.154 2.020 1.00 0.00 WT1 O ATOM 19223 H1 TIP3 6495 4.214 12.665 5.622 1.00 0.00 WT1 H ATOM 19224 H2 TIP3 6495 0.282 31.913 7.054 1.00 0.00 WT1 H ATOM 19225 OH2 TIP3 6496 -4.593 -1.372 -1.374 1.00 0.00 WT1 O ATOM 19226 H1 TIP3 6496 -2.645 -15.536 0.718 1.00 0.00 WT1 H ATOM 19227 H2 TIP3 6496 -1.126 -14.212 -4.166 1.00 0.00 WT1 H ATOM 19228 OH2 TIP3 6497 -2.573 -1.032 -0.783 1.00 0.00 WT1 O ATOM 19229 H1 TIP3 6497 1.478 -0.258 18.209 1.00 0.00 WT1 H ATOM 19230 H2 TIP3 6497 -4.717 10.446 0.275 1.00 0.00 WT1 H ATOM 19231 OH2 TIP3 6499 0.660 -6.958 3.739 1.00 0.00 WT1 O ATOM 19232 H1 TIP3 6499 6.901 -3.462 36.314 1.00 0.00 WT1 H ATOM 19233 H2 TIP3 6499 -7.998 0.936 4.065 1.00 0.00 WT1 H ATOM 19234 OH2 TIP3 6500 4.251 1.287 7.206 1.00 0.00 WT1 O ATOM 19235 H1 TIP3 6500 -9.865 -1.019 3.219 1.00 0.00 WT1 H ATOM 19236 H2 TIP3 6500 -3.797 -1.572 -53.118 1.00 0.00 WT1 H ATOM 19237 OH2 TIP3 6501 -5.585 -2.638 -0.257 1.00 0.00 WT1 O ATOM 19238 H1 TIP3 6501 -16.200 4.613 7.429 1.00 0.00 WT1 H ATOM 19239 H2 TIP3 6501 8.174 5.841 3.127 1.00 0.00 WT1 H ATOM 19240 OH2 TIP3 6503 1.822 -8.101 1.524 1.00 0.00 WT1 O ATOM 19241 H1 TIP3 6503 6.763 9.072 1.686 1.00 0.00 WT1 H ATOM 19242 H2 TIP3 6503 -4.251 -8.097 -15.001 1.00 0.00 WT1 H ATOM 19243 OH2 TIP3 6506 0.111 4.814 0.656 1.00 0.00 WT1 O ATOM 19244 H1 TIP3 6506 -8.356 21.063 0.866 1.00 0.00 WT1 H ATOM 19245 H2 TIP3 6506 20.411 -4.424 -4.985 1.00 0.00 WT1 H ATOM 19246 OH2 TIP3 6508 5.956 3.081 -3.938 1.00 0.00 WT1 O ATOM 19247 H1 TIP3 6508 -3.553 -3.588 -4.942 1.00 0.00 WT1 H ATOM 19248 H2 TIP3 6508 6.893 7.432 -5.009 1.00 0.00 WT1 H ATOM 19249 OH2 TIP3 6509 -0.903 -4.893 -3.255 1.00 0.00 WT1 O ATOM 19250 H1 TIP3 6509 -1.693 7.208 -8.162 1.00 0.00 WT1 H ATOM 19251 H2 TIP3 6509 8.789 -17.134 -20.241 1.00 0.00 WT1 H ATOM 19252 OH2 TIP3 6510 -3.310 3.294 -2.924 1.00 0.00 WT1 O ATOM 19253 H1 TIP3 6510 2.848 1.828 -7.933 1.00 0.00 WT1 H ATOM 19254 H2 TIP3 6510 5.122 3.045 2.112 1.00 0.00 WT1 H ATOM 19255 OH2 TIP3 6511 4.497 0.343 -3.014 1.00 0.00 WT1 O ATOM 19256 H1 TIP3 6511 11.786 -7.285 -2.015 1.00 0.00 WT1 H ATOM 19257 H2 TIP3 6511 14.826 -6.835 13.628 1.00 0.00 WT1 H ATOM 19258 OH2 TIP3 6512 -2.491 3.366 -1.690 1.00 0.00 WT1 O ATOM 19259 H1 TIP3 6512 -19.403 -8.216 -4.143 1.00 0.00 WT1 H ATOM 19260 H2 TIP3 6512 3.260 -9.467 -5.516 1.00 0.00 WT1 H ATOM 19261 OH2 TIP3 6513 -2.809 2.058 2.144 1.00 0.00 WT1 O ATOM 19262 H1 TIP3 6513 -4.450 2.052 1.173 1.00 0.00 WT1 H ATOM 19263 H2 TIP3 6513 20.390 1.396 7.989 1.00 0.00 WT1 H ATOM 19264 OH2 TIP3 6514 -4.183 -3.208 0.186 1.00 0.00 WT1 O ATOM 19265 H1 TIP3 6514 -14.964 -4.851 1.967 1.00 0.00 WT1 H ATOM 19266 H2 TIP3 6514 -3.847 -3.749 -11.052 1.00 0.00 WT1 H ATOM 19267 OH2 TIP3 6515 0.721 2.474 4.174 1.00 0.00 WT1 O ATOM 19268 H1 TIP3 6515 -1.937 3.223 -2.591 1.00 0.00 WT1 H ATOM 19269 H2 TIP3 6515 6.135 5.777 4.439 1.00 0.00 WT1 H ATOM 19270 OH2 TIP3 6516 -5.969 -1.109 -2.271 1.00 0.00 WT1 O ATOM 19271 H1 TIP3 6516 -0.899 3.931 0.418 1.00 0.00 WT1 H ATOM 19272 H2 TIP3 6516 4.053 -22.023 7.664 1.00 0.00 WT1 H ATOM 19273 OH2 TIP3 6518 3.466 2.574 -5.931 1.00 0.00 WT1 O ATOM 19274 H1 TIP3 6518 -2.491 10.009 -19.263 1.00 0.00 WT1 H ATOM 19275 H2 TIP3 6518 -11.674 -9.694 34.175 1.00 0.00 WT1 H ATOM 19276 OH2 TIP3 6519 1.132 -2.049 1.646 1.00 0.00 WT1 O ATOM 19277 H1 TIP3 6519 13.704 24.256 -2.692 1.00 0.00 WT1 H ATOM 19278 H2 TIP3 6519 -15.337 -10.768 15.910 1.00 0.00 WT1 H ATOM 19279 OH2 TIP3 6521 -5.144 -0.573 4.819 1.00 0.00 WT1 O ATOM 19280 H1 TIP3 6521 25.231 -4.633 -4.361 1.00 0.00 WT1 H ATOM 19281 H2 TIP3 6521 -9.286 2.792 1.487 1.00 0.00 WT1 H ATOM 19282 OH2 TIP3 6522 0.465 4.814 -0.089 1.00 0.00 WT1 O ATOM 19283 H1 TIP3 6522 11.706 15.872 -9.663 1.00 0.00 WT1 H ATOM 19284 H2 TIP3 6522 0.464 8.157 -6.510 1.00 0.00 WT1 H ATOM 19285 OH2 TIP3 6524 -7.927 1.967 -3.695 1.00 0.00 WT1 O ATOM 19286 H1 TIP3 6524 11.162 -15.127 -11.530 1.00 0.00 WT1 H ATOM 19287 H2 TIP3 6524 -29.524 6.490 0.249 1.00 0.00 WT1 H ATOM 19288 OH2 TIP3 6527 -3.734 -6.516 -1.867 1.00 0.00 WT1 O ATOM 19289 H1 TIP3 6527 -20.303 4.173 -10.375 1.00 0.00 WT1 H ATOM 19290 H2 TIP3 6527 12.582 -0.566 -8.205 1.00 0.00 WT1 H ATOM 19291 OH2 TIP3 6530 1.665 -8.259 -0.771 1.00 0.00 WT1 O ATOM 19292 H1 TIP3 6530 6.570 -13.680 -10.688 1.00 0.00 WT1 H ATOM 19293 H2 TIP3 6530 1.716 -6.318 -0.385 1.00 0.00 WT1 H ATOM 19294 OH2 TIP3 6531 0.401 -1.883 -0.285 1.00 0.00 WT1 O ATOM 19295 H1 TIP3 6531 -3.020 5.825 0.472 1.00 0.00 WT1 H ATOM 19296 H2 TIP3 6531 -7.104 8.832 15.090 1.00 0.00 WT1 H ATOM 19297 OH2 TIP3 6532 7.726 -6.777 -5.888 1.00 0.00 WT1 O ATOM 19298 H1 TIP3 6532 -16.431 37.549 -24.230 1.00 0.00 WT1 H ATOM 19299 H2 TIP3 6532 12.264 -24.506 4.942 1.00 0.00 WT1 H ATOM 19300 OH2 TIP3 6533 8.496 1.541 7.725 1.00 0.00 WT1 O ATOM 19301 H1 TIP3 6533 9.443 3.353 8.188 1.00 0.00 WT1 H ATOM 19302 H2 TIP3 6533 8.178 5.326 11.543 1.00 0.00 WT1 H ATOM 19303 OH2 TIP3 6534 2.186 2.479 1.553 1.00 0.00 WT1 O ATOM 19304 H1 TIP3 6534 7.319 2.088 1.991 1.00 0.00 WT1 H ATOM 19305 H2 TIP3 6534 5.795 8.717 -15.530 1.00 0.00 WT1 H ATOM 19306 OH2 TIP3 6535 -0.522 -1.323 2.035 1.00 0.00 WT1 O ATOM 19307 H1 TIP3 6535 20.016 -0.976 8.040 1.00 0.00 WT1 H ATOM 19308 H2 TIP3 6535 -21.685 25.308 -5.590 1.00 0.00 WT1 H ATOM 19309 OH2 TIP3 6536 2.456 -1.805 -5.975 1.00 0.00 WT1 O ATOM 19310 H1 TIP3 6536 -0.157 3.469 -8.626 1.00 0.00 WT1 H ATOM 19311 H2 TIP3 6536 4.418 -6.395 -6.090 1.00 0.00 WT1 H ATOM 19312 OH2 TIP3 6537 -2.898 2.395 1.619 1.00 0.00 WT1 O ATOM 19313 H1 TIP3 6537 12.760 -7.803 6.274 1.00 0.00 WT1 H ATOM 19314 H2 TIP3 6537 -8.039 -11.363 -3.613 1.00 0.00 WT1 H ATOM 19315 OH2 TIP3 6540 -3.282 1.733 -0.221 1.00 0.00 WT1 O ATOM 19316 H1 TIP3 6540 -0.127 8.742 1.414 1.00 0.00 WT1 H ATOM 19317 H2 TIP3 6540 -1.104 9.984 -10.827 1.00 0.00 WT1 H ATOM 19318 OH2 TIP3 6541 12.830 0.106 -5.261 1.00 0.00 WT1 O ATOM 19319 H1 TIP3 6541 12.795 6.506 0.597 1.00 0.00 WT1 H ATOM 19320 H2 TIP3 6541 6.399 2.313 -5.201 1.00 0.00 WT1 H ATOM 19321 OH2 TIP3 6543 0.019 -8.329 3.723 1.00 0.00 WT1 O ATOM 19322 H1 TIP3 6543 3.910 -8.972 2.205 1.00 0.00 WT1 H ATOM 19323 H2 TIP3 6543 -5.965 -4.298 2.619 1.00 0.00 WT1 H ATOM 19324 OH2 TIP3 6544 5.656 -1.123 1.331 1.00 0.00 WT1 O ATOM 19325 H1 TIP3 6544 2.132 6.736 -3.180 1.00 0.00 WT1 H ATOM 19326 H2 TIP3 6544 2.820 -22.832 17.331 1.00 0.00 WT1 H ATOM 19327 OH2 TIP3 6546 1.683 -1.760 -3.134 1.00 0.00 WT1 O ATOM 19328 H1 TIP3 6546 5.618 -2.672 -20.477 1.00 0.00 WT1 H ATOM 19329 H2 TIP3 6546 -5.781 -6.285 5.829 1.00 0.00 WT1 H ATOM 19330 OH2 TIP3 6547 -4.185 -4.867 2.435 1.00 0.00 WT1 O ATOM 19331 H1 TIP3 6547 -6.841 -2.651 7.068 1.00 0.00 WT1 H ATOM 19332 H2 TIP3 6547 -8.608 6.928 -5.253 1.00 0.00 WT1 H ATOM 19333 OH2 TIP3 6548 -0.994 1.098 -5.497 1.00 0.00 WT1 O ATOM 19334 H1 TIP3 6548 -16.722 15.867 -14.448 1.00 0.00 WT1 H ATOM 19335 H2 TIP3 6548 10.877 -7.250 10.784 1.00 0.00 WT1 H ATOM 19336 OH2 TIP3 6549 2.919 -2.624 -2.574 1.00 0.00 WT1 O ATOM 19337 H1 TIP3 6549 -0.863 6.243 7.881 1.00 0.00 WT1 H ATOM 19338 H2 TIP3 6549 -15.113 -11.161 6.796 1.00 0.00 WT1 H ATOM 19339 OH2 TIP3 6551 6.481 -7.374 -3.224 1.00 0.00 WT1 O ATOM 19340 H1 TIP3 6551 17.313 -20.524 0.512 1.00 0.00 WT1 H ATOM 19341 H2 TIP3 6551 -36.345 7.444 20.505 1.00 0.00 WT1 H ATOM 19342 OH2 TIP3 6552 -2.112 -4.920 0.136 1.00 0.00 WT1 O ATOM 19343 H1 TIP3 6552 -17.214 -7.351 -6.693 1.00 0.00 WT1 H ATOM 19344 H2 TIP3 6552 18.154 8.409 3.279 1.00 0.00 WT1 H ATOM 19345 OH2 TIP3 6553 5.045 3.830 6.784 1.00 0.00 WT1 O ATOM 19346 H1 TIP3 6553 -20.606 8.131 -2.833 1.00 0.00 WT1 H ATOM 19347 H2 TIP3 6553 15.905 0.380 19.089 1.00 0.00 WT1 H ATOM 19348 OH2 TIP3 6555 -5.248 4.119 2.546 1.00 0.00 WT1 O ATOM 19349 H1 TIP3 6555 -11.001 0.801 31.573 1.00 0.00 WT1 H ATOM 19350 H2 TIP3 6555 21.976 -15.185 9.567 1.00 0.00 WT1 H ATOM 19351 OH2 TIP3 6556 -2.124 4.518 1.242 1.00 0.00 WT1 O ATOM 19352 H1 TIP3 6556 -11.321 21.420 0.862 1.00 0.00 WT1 H ATOM 19353 H2 TIP3 6556 -3.948 9.188 0.993 1.00 0.00 WT1 H ATOM 19354 OH2 TIP3 6558 3.353 1.743 14.105 1.00 0.00 WT1 O ATOM 19355 H1 TIP3 6558 2.761 -0.139 11.551 1.00 0.00 WT1 H ATOM 19356 H2 TIP3 6558 -10.426 -8.000 19.778 1.00 0.00 WT1 H ATOM 19357 OH2 TIP3 6559 -0.612 -1.377 3.282 1.00 0.00 WT1 O ATOM 19358 H1 TIP3 6559 -13.177 -11.872 -5.248 1.00 0.00 WT1 H ATOM 19359 H2 TIP3 6559 -5.805 -6.263 19.851 1.00 0.00 WT1 H ATOM 19360 OH2 TIP3 6560 6.827 1.495 2.543 1.00 0.00 WT1 O ATOM 19361 H1 TIP3 6560 13.366 5.786 19.778 1.00 0.00 WT1 H ATOM 19362 H2 TIP3 6560 -1.813 -9.153 6.491 1.00 0.00 WT1 H ATOM 19363 OH2 TIP3 6561 6.378 -0.327 -7.534 1.00 0.00 WT1 O ATOM 19364 H1 TIP3 6561 3.562 -1.767 -6.944 1.00 0.00 WT1 H ATOM 19365 H2 TIP3 6561 -11.832 -18.589 1.901 1.00 0.00 WT1 H ATOM 19366 OH2 TIP3 6564 0.834 7.578 2.273 1.00 0.00 WT1 O ATOM 19367 H1 TIP3 6564 15.110 -0.876 -8.900 1.00 0.00 WT1 H ATOM 19368 H2 TIP3 6564 -13.207 40.937 0.703 1.00 0.00 WT1 H ATOM 19369 OH2 TIP3 6565 -3.470 -3.146 -1.052 1.00 0.00 WT1 O ATOM 19370 H1 TIP3 6565 -19.253 6.533 7.078 1.00 0.00 WT1 H ATOM 19371 H2 TIP3 6565 3.726 -10.313 0.526 1.00 0.00 WT1 H ATOM 19372 OH2 TIP3 6566 -3.570 0.731 -2.550 1.00 0.00 WT1 O ATOM 19373 H1 TIP3 6566 -6.945 2.017 -4.139 1.00 0.00 WT1 H ATOM 19374 H2 TIP3 6566 17.456 9.868 4.124 1.00 0.00 WT1 H ATOM 19375 OH2 TIP3 6569 5.955 4.599 -0.920 1.00 0.00 WT1 O ATOM 19376 H1 TIP3 6569 1.216 0.649 -6.599 1.00 0.00 WT1 H ATOM 19377 H2 TIP3 6569 9.768 -1.865 9.352 1.00 0.00 WT1 H ATOM 19378 OH2 TIP3 6570 2.765 -7.101 -0.628 1.00 0.00 WT1 O ATOM 19379 H1 TIP3 6570 7.645 1.692 5.898 1.00 0.00 WT1 H ATOM 19380 H2 TIP3 6570 -1.472 -2.660 -5.905 1.00 0.00 WT1 H ATOM 19381 OH2 TIP3 6571 -5.392 4.296 -2.188 1.00 0.00 WT1 O ATOM 19382 H1 TIP3 6571 8.409 2.131 2.032 1.00 0.00 WT1 H ATOM 19383 H2 TIP3 6571 -5.957 4.594 -4.211 1.00 0.00 WT1 H ATOM 19384 OH2 TIP3 6573 7.643 -6.561 0.334 1.00 0.00 WT1 O ATOM 19385 H1 TIP3 6573 0.131 13.177 8.674 1.00 0.00 WT1 H ATOM 19386 H2 TIP3 6573 9.924 -9.485 -5.170 1.00 0.00 WT1 H ATOM 19387 OH2 TIP3 6574 -4.070 2.029 -6.099 1.00 0.00 WT1 O ATOM 19388 H1 TIP3 6574 -4.739 -1.867 -8.885 1.00 0.00 WT1 H ATOM 19389 H2 TIP3 6574 5.940 -6.702 23.993 1.00 0.00 WT1 H ATOM 19390 OH2 TIP3 6575 0.282 -6.896 -0.665 1.00 0.00 WT1 O ATOM 19391 H1 TIP3 6575 12.229 7.172 -8.969 1.00 0.00 WT1 H ATOM 19392 H2 TIP3 6575 6.108 -13.020 9.004 1.00 0.00 WT1 H ATOM 19393 OH2 TIP3 6576 -0.286 6.196 2.392 1.00 0.00 WT1 O ATOM 19394 H1 TIP3 6576 0.368 7.160 3.207 1.00 0.00 WT1 H ATOM 19395 H2 TIP3 6576 -0.887 5.468 0.210 1.00 0.00 WT1 H ATOM 19396 OH2 TIP3 6577 3.235 -5.380 -2.026 1.00 0.00 WT1 O ATOM 19397 H1 TIP3 6577 9.087 -3.193 -12.879 1.00 0.00 WT1 H ATOM 19398 H2 TIP3 6577 11.691 -0.136 -18.166 1.00 0.00 WT1 H ATOM 19399 OH2 TIP3 6578 1.578 -1.031 -3.888 1.00 0.00 WT1 O ATOM 19400 H1 TIP3 6578 -2.145 -5.738 0.258 1.00 0.00 WT1 H ATOM 19401 H2 TIP3 6578 2.964 0.742 -4.340 1.00 0.00 WT1 H ATOM 19402 OH2 TIP3 6579 -1.641 -0.792 -0.828 1.00 0.00 WT1 O ATOM 19403 H1 TIP3 6579 -4.690 -2.785 -7.809 1.00 0.00 WT1 H ATOM 19404 H2 TIP3 6579 -4.588 -8.331 -4.942 1.00 0.00 WT1 H ATOM 19405 OH2 TIP3 6580 -1.267 -0.710 -2.067 1.00 0.00 WT1 O ATOM 19406 H1 TIP3 6580 -0.306 -1.684 0.896 1.00 0.00 WT1 H ATOM 19407 H2 TIP3 6580 -2.322 1.282 -1.243 1.00 0.00 WT1 H ATOM 19408 OH2 TIP3 6581 -6.097 -0.133 10.253 1.00 0.00 WT1 O ATOM 19409 H1 TIP3 6581 -0.855 -0.834 2.074 1.00 0.00 WT1 H ATOM 19410 H2 TIP3 6581 -13.162 1.937 6.412 1.00 0.00 WT1 H ATOM 19411 OH2 TIP3 6583 1.553 -4.137 -0.252 1.00 0.00 WT1 O ATOM 19412 H1 TIP3 6583 24.649 -11.054 9.522 1.00 0.00 WT1 H ATOM 19413 H2 TIP3 6583 -16.393 -15.588 -7.075 1.00 0.00 WT1 H ATOM 19414 OH2 TIP3 6584 1.308 3.456 -0.555 1.00 0.00 WT1 O ATOM 19415 H1 TIP3 6584 -0.381 0.780 3.107 1.00 0.00 WT1 H ATOM 19416 H2 TIP3 6584 4.663 -5.895 -2.566 1.00 0.00 WT1 H ATOM 19417 OH2 TIP3 6585 -3.052 6.916 4.809 1.00 0.00 WT1 O ATOM 19418 H1 TIP3 6585 -8.200 15.908 6.895 1.00 0.00 WT1 H ATOM 19419 H2 TIP3 6585 -25.516 -7.106 -1.727 1.00 0.00 WT1 H ATOM 19420 OH2 TIP3 6586 2.153 -4.226 -1.674 1.00 0.00 WT1 O ATOM 19421 H1 TIP3 6586 -7.491 29.317 3.394 1.00 0.00 WT1 H ATOM 19422 H2 TIP3 6586 -22.194 -8.946 4.342 1.00 0.00 WT1 H ATOM 19423 OH2 TIP3 6587 0.213 4.832 3.326 1.00 0.00 WT1 O ATOM 19424 H1 TIP3 6587 12.602 0.185 -0.428 1.00 0.00 WT1 H ATOM 19425 H2 TIP3 6587 12.634 -6.408 5.965 1.00 0.00 WT1 H ATOM 19426 OH2 TIP3 6589 3.403 2.494 -1.381 1.00 0.00 WT1 O ATOM 19427 H1 TIP3 6589 -19.929 -2.298 -6.601 1.00 0.00 WT1 H ATOM 19428 H2 TIP3 6589 12.353 -17.532 -1.042 1.00 0.00 WT1 H ATOM 19429 OH2 TIP3 6590 -2.840 -4.157 2.944 1.00 0.00 WT1 O ATOM 19430 H1 TIP3 6590 8.564 9.472 17.616 1.00 0.00 WT1 H ATOM 19431 H2 TIP3 6590 16.224 2.774 32.055 1.00 0.00 WT1 H ATOM 19432 OH2 TIP3 6592 5.887 3.994 5.992 1.00 0.00 WT1 O ATOM 19433 H1 TIP3 6592 1.736 15.194 9.064 1.00 0.00 WT1 H ATOM 19434 H2 TIP3 6592 18.124 4.016 4.525 1.00 0.00 WT1 H ATOM 19435 OH2 TIP3 6594 9.762 -0.018 -2.681 1.00 0.00 WT1 O ATOM 19436 H1 TIP3 6594 1.995 12.073 3.021 1.00 0.00 WT1 H ATOM 19437 H2 TIP3 6594 1.294 -6.739 -0.077 1.00 0.00 WT1 H ATOM 19438 OH2 TIP3 6595 0.213 7.985 3.147 1.00 0.00 WT1 O ATOM 19439 H1 TIP3 6595 10.490 -5.044 -16.993 1.00 0.00 WT1 H ATOM 19440 H2 TIP3 6595 1.954 5.182 -0.925 1.00 0.00 WT1 H ATOM 19441 OH2 TIP3 6596 0.625 6.002 -2.677 1.00 0.00 WT1 O ATOM 19442 H1 TIP3 6596 17.479 -2.995 -2.332 1.00 0.00 WT1 H ATOM 19443 H2 TIP3 6596 -17.281 10.060 -2.268 1.00 0.00 WT1 H ATOM 19444 OH2 TIP3 6597 -2.219 -1.957 1.874 1.00 0.00 WT1 O ATOM 19445 H1 TIP3 6597 -11.035 7.660 -9.714 1.00 0.00 WT1 H ATOM 19446 H2 TIP3 6597 19.758 0.196 -0.949 1.00 0.00 WT1 H ATOM 19447 OH2 TIP3 6598 -0.980 1.265 -0.522 1.00 0.00 WT1 O ATOM 19448 H1 TIP3 6598 22.304 6.225 2.232 1.00 0.00 WT1 H ATOM 19449 H2 TIP3 6598 1.109 1.518 -0.077 1.00 0.00 WT1 H ATOM 19450 OH2 TIP3 6600 1.834 7.888 -3.305 1.00 0.00 WT1 O ATOM 19451 H1 TIP3 6600 13.278 1.909 -9.294 1.00 0.00 WT1 H ATOM 19452 H2 TIP3 6600 3.748 -6.477 -7.229 1.00 0.00 WT1 H ATOM 19453 OH2 TIP3 6601 -0.368 -0.646 -5.147 1.00 0.00 WT1 O ATOM 19454 H1 TIP3 6601 1.413 -8.152 10.780 1.00 0.00 WT1 H ATOM 19455 H2 TIP3 6601 22.424 -16.472 13.462 1.00 0.00 WT1 H ATOM 19456 OH2 TIP3 6602 5.947 -2.696 1.587 1.00 0.00 WT1 O ATOM 19457 H1 TIP3 6602 -11.113 4.656 6.110 1.00 0.00 WT1 H ATOM 19458 H2 TIP3 6602 -7.824 -17.201 7.639 1.00 0.00 WT1 H ATOM 19459 OH2 TIP3 6603 -0.501 -3.550 0.360 1.00 0.00 WT1 O ATOM 19460 H1 TIP3 6603 -17.867 3.812 -6.086 1.00 0.00 WT1 H ATOM 19461 H2 TIP3 6603 5.700 -5.943 3.569 1.00 0.00 WT1 H ATOM 19462 OH2 TIP3 6604 -0.653 -0.823 9.746 1.00 0.00 WT1 O ATOM 19463 H1 TIP3 6604 15.027 2.774 -10.788 1.00 0.00 WT1 H ATOM 19464 H2 TIP3 6604 3.042 2.831 6.664 1.00 0.00 WT1 H ATOM 19465 OH2 TIP3 6606 2.873 -1.998 -6.261 1.00 0.00 WT1 O ATOM 19466 H1 TIP3 6606 14.786 9.298 -12.508 1.00 0.00 WT1 H ATOM 19467 H2 TIP3 6606 -1.745 1.956 20.343 1.00 0.00 WT1 H ATOM 19468 OH2 TIP3 6607 2.287 1.759 5.103 1.00 0.00 WT1 O ATOM 19469 H1 TIP3 6607 32.994 -3.006 -18.467 1.00 0.00 WT1 H ATOM 19470 H2 TIP3 6607 -7.485 0.290 19.398 1.00 0.00 WT1 H ATOM 19471 OH2 TIP3 6608 1.525 -0.790 0.470 1.00 0.00 WT1 O ATOM 19472 H1 TIP3 6608 6.345 5.631 -1.192 1.00 0.00 WT1 H ATOM 19473 H2 TIP3 6608 19.662 25.339 -3.834 1.00 0.00 WT1 H ATOM 19474 OH2 TIP3 6609 -0.938 0.106 0.806 1.00 0.00 WT1 O ATOM 19475 H1 TIP3 6609 0.655 4.904 5.869 1.00 0.00 WT1 H ATOM 19476 H2 TIP3 6609 -3.862 1.351 7.973 1.00 0.00 WT1 H ATOM 19477 OH2 TIP3 6610 -1.025 -0.253 -6.758 1.00 0.00 WT1 O ATOM 19478 H1 TIP3 6610 -0.007 -9.527 -16.157 1.00 0.00 WT1 H ATOM 19479 H2 TIP3 6610 -2.803 -3.431 -13.384 1.00 0.00 WT1 H ATOM 19480 OH2 TIP3 6611 1.777 -3.356 -6.243 1.00 0.00 WT1 O ATOM 19481 H1 TIP3 6611 10.771 6.626 -9.115 1.00 0.00 WT1 H ATOM 19482 H2 TIP3 6611 -5.694 -8.301 4.507 1.00 0.00 WT1 H ATOM 19483 OH2 TIP3 6613 -6.605 -3.864 -1.911 1.00 0.00 WT1 O ATOM 19484 H1 TIP3 6613 6.469 -1.326 16.860 1.00 0.00 WT1 H ATOM 19485 H2 TIP3 6613 1.954 -16.299 5.163 1.00 0.00 WT1 H ATOM 19486 OH2 TIP3 6614 -2.108 -2.182 1.613 1.00 0.00 WT1 O ATOM 19487 H1 TIP3 6614 -14.339 -0.241 1.877 1.00 0.00 WT1 H ATOM 19488 H2 TIP3 6614 -9.134 -3.425 6.287 1.00 0.00 WT1 H ATOM 19489 OH2 TIP3 6615 5.787 3.104 5.221 1.00 0.00 WT1 O ATOM 19490 H1 TIP3 6615 4.773 8.672 32.160 1.00 0.00 WT1 H ATOM 19491 H2 TIP3 6615 8.083 10.627 4.242 1.00 0.00 WT1 H ATOM 19492 OH2 TIP3 6616 -4.752 3.069 -2.976 1.00 0.00 WT1 O ATOM 19493 H1 TIP3 6616 1.859 -2.425 -0.149 1.00 0.00 WT1 H ATOM 19494 H2 TIP3 6616 -7.455 4.527 9.004 1.00 0.00 WT1 H ATOM 19495 OH2 TIP3 6618 1.061 -4.308 3.999 1.00 0.00 WT1 O ATOM 19496 H1 TIP3 6618 1.368 -12.460 -6.147 1.00 0.00 WT1 H ATOM 19497 H2 TIP3 6618 11.449 -13.419 5.478 1.00 0.00 WT1 H ATOM 19498 OH2 TIP3 6620 -0.887 -4.168 -1.861 1.00 0.00 WT1 O ATOM 19499 H1 TIP3 6620 7.013 -0.606 3.500 1.00 0.00 WT1 H ATOM 19500 H2 TIP3 6620 -1.802 -13.004 0.809 1.00 0.00 WT1 H ATOM 19501 OH2 TIP3 6621 2.663 -4.579 -7.628 1.00 0.00 WT1 O ATOM 19502 H1 TIP3 6621 5.669 -4.045 -8.895 1.00 0.00 WT1 H ATOM 19503 H2 TIP3 6621 3.103 -0.252 -9.270 1.00 0.00 WT1 H ATOM 19504 OH2 TIP3 6622 4.969 -2.844 0.388 1.00 0.00 WT1 O ATOM 19505 H1 TIP3 6622 6.639 14.006 -5.699 1.00 0.00 WT1 H ATOM 19506 H2 TIP3 6622 30.248 -9.513 16.824 1.00 0.00 WT1 H ATOM 19507 OH2 TIP3 6623 -5.644 -4.515 -1.739 1.00 0.00 WT1 O ATOM 19508 H1 TIP3 6623 4.979 -6.120 -2.578 1.00 0.00 WT1 H ATOM 19509 H2 TIP3 6623 -14.752 -12.854 3.937 1.00 0.00 WT1 H ATOM 19510 OH2 TIP3 6625 -3.513 -2.731 5.671 1.00 0.00 WT1 O ATOM 19511 H1 TIP3 6625 -18.741 -17.404 -11.698 1.00 0.00 WT1 H ATOM 19512 H2 TIP3 6625 -20.274 17.776 13.818 1.00 0.00 WT1 H ATOM 19513 OH2 TIP3 6626 2.596 5.911 4.877 1.00 0.00 WT1 O ATOM 19514 H1 TIP3 6626 5.528 6.651 -8.231 1.00 0.00 WT1 H ATOM 19515 H2 TIP3 6626 -2.740 4.683 -2.581 1.00 0.00 WT1 H ATOM 19516 OH2 TIP3 6627 0.844 1.218 4.428 1.00 0.00 WT1 O ATOM 19517 H1 TIP3 6627 2.859 -9.778 1.589 1.00 0.00 WT1 H ATOM 19518 H2 TIP3 6627 -8.024 -3.462 7.169 1.00 0.00 WT1 H ATOM 19519 OH2 TIP3 6628 -6.731 2.894 -1.160 1.00 0.00 WT1 O ATOM 19520 H1 TIP3 6628 9.254 5.080 3.804 1.00 0.00 WT1 H ATOM 19521 H2 TIP3 6628 -4.915 13.678 -4.568 1.00 0.00 WT1 H ATOM 19522 OH2 TIP3 6629 0.937 0.175 3.678 1.00 0.00 WT1 O ATOM 19523 H1 TIP3 6629 -9.131 18.304 12.380 1.00 0.00 WT1 H ATOM 19524 H2 TIP3 6629 6.563 -12.712 3.731 1.00 0.00 WT1 H ATOM 19525 OH2 TIP3 6630 4.298 2.827 2.152 1.00 0.00 WT1 O ATOM 19526 H1 TIP3 6630 -23.200 1.818 -10.222 1.00 0.00 WT1 H ATOM 19527 H2 TIP3 6630 16.869 1.121 -4.987 1.00 0.00 WT1 H ATOM 19528 OH2 TIP3 6631 4.096 3.548 -5.239 1.00 0.00 WT1 O ATOM 19529 H1 TIP3 6631 -18.983 23.294 12.062 1.00 0.00 WT1 H ATOM 19530 H2 TIP3 6631 -4.506 -22.556 10.200 1.00 0.00 WT1 H ATOM 19531 OH2 TIP3 6632 4.287 -3.369 0.045 1.00 0.00 WT1 O ATOM 19532 H1 TIP3 6632 19.581 13.550 -0.530 1.00 0.00 WT1 H ATOM 19533 H2 TIP3 6632 9.379 -6.999 17.656 1.00 0.00 WT1 H ATOM 19534 OH2 TIP3 6633 2.287 -3.536 -7.805 1.00 0.00 WT1 O ATOM 19535 H1 TIP3 6633 -14.542 8.351 14.693 1.00 0.00 WT1 H ATOM 19536 H2 TIP3 6633 -7.459 -6.592 -17.990 1.00 0.00 WT1 H ATOM 19537 OH2 TIP3 6634 3.560 -2.576 5.437 1.00 0.00 WT1 O ATOM 19538 H1 TIP3 6634 -11.889 6.306 -13.727 1.00 0.00 WT1 H ATOM 19539 H2 TIP3 6634 5.750 -8.979 9.886 1.00 0.00 WT1 H ATOM 19540 OH2 TIP3 6635 4.691 -6.205 6.199 1.00 0.00 WT1 O ATOM 19541 H1 TIP3 6635 6.988 -3.168 11.243 1.00 0.00 WT1 H ATOM 19542 H2 TIP3 6635 12.479 -9.132 -10.797 1.00 0.00 WT1 H ATOM 19543 OH2 TIP3 6636 0.490 -2.106 4.650 1.00 0.00 WT1 O ATOM 19544 H1 TIP3 6636 -5.029 2.726 -18.762 1.00 0.00 WT1 H ATOM 19545 H2 TIP3 6636 5.276 -10.202 10.672 1.00 0.00 WT1 H ATOM 19546 OH2 TIP3 6637 2.997 -4.758 3.392 1.00 0.00 WT1 O ATOM 19547 H1 TIP3 6637 -8.830 4.892 10.646 1.00 0.00 WT1 H ATOM 19548 H2 TIP3 6637 6.342 -21.848 15.994 1.00 0.00 WT1 H ATOM 19549 OH2 TIP3 6638 -0.152 -1.775 -2.854 1.00 0.00 WT1 O ATOM 19550 H1 TIP3 6638 13.604 11.290 -0.515 1.00 0.00 WT1 H ATOM 19551 H2 TIP3 6638 1.966 35.408 12.291 1.00 0.00 WT1 H ATOM 19552 OH2 TIP3 6639 5.163 -0.629 -7.271 1.00 0.00 WT1 O ATOM 19553 H1 TIP3 6639 2.925 2.436 -1.638 1.00 0.00 WT1 H ATOM 19554 H2 TIP3 6639 -7.524 7.783 7.093 1.00 0.00 WT1 H ATOM 19555 OH2 TIP3 6640 -0.021 0.874 -3.657 1.00 0.00 WT1 O ATOM 19556 H1 TIP3 6640 -16.041 -9.422 -13.782 1.00 0.00 WT1 H ATOM 19557 H2 TIP3 6640 -7.059 10.093 -23.794 1.00 0.00 WT1 H ATOM 19558 OH2 TIP3 6641 -1.092 2.178 -4.109 1.00 0.00 WT1 O ATOM 19559 H1 TIP3 6641 -25.693 -2.272 21.469 1.00 0.00 WT1 H ATOM 19560 H2 TIP3 6641 -7.677 3.085 5.764 1.00 0.00 WT1 H ATOM 19561 OH2 TIP3 6642 1.956 4.022 3.362 1.00 0.00 WT1 O ATOM 19562 H1 TIP3 6642 11.849 -6.780 -6.167 1.00 0.00 WT1 H ATOM 19563 H2 TIP3 6642 -17.013 4.582 -1.776 1.00 0.00 WT1 H ATOM 19564 OH2 TIP3 6643 2.470 5.267 1.259 1.00 0.00 WT1 O ATOM 19565 H1 TIP3 6643 2.707 10.172 -9.684 1.00 0.00 WT1 H ATOM 19566 H2 TIP3 6643 0.823 10.424 7.547 1.00 0.00 WT1 H ATOM 19567 OH2 TIP3 6644 3.354 0.506 1.078 1.00 0.00 WT1 O ATOM 19568 H1 TIP3 6644 4.961 -2.585 1.011 1.00 0.00 WT1 H ATOM 19569 H2 TIP3 6644 3.786 -0.997 0.644 1.00 0.00 WT1 H ATOM 19570 OH2 TIP3 6645 3.035 -2.566 11.657 1.00 0.00 WT1 O ATOM 19571 H1 TIP3 6645 0.612 -2.087 9.414 1.00 0.00 WT1 H ATOM 19572 H2 TIP3 6645 0.528 -11.669 16.889 1.00 0.00 WT1 H ATOM 19573 OH2 TIP3 6647 -10.163 9.680 -6.257 1.00 0.00 WT1 O ATOM 19574 H1 TIP3 6647 -0.464 -5.327 -18.736 1.00 0.00 WT1 H ATOM 19575 H2 TIP3 6647 -10.535 9.475 16.860 1.00 0.00 WT1 H ATOM 19576 OH2 TIP3 6648 -0.385 1.244 5.946 1.00 0.00 WT1 O ATOM 19577 H1 TIP3 6648 7.088 2.965 1.819 1.00 0.00 WT1 H ATOM 19578 H2 TIP3 6648 -14.733 0.054 18.731 1.00 0.00 WT1 H ATOM 19579 OH2 TIP3 6649 6.365 -4.363 0.447 1.00 0.00 WT1 O ATOM 19580 H1 TIP3 6649 -6.896 1.224 -10.031 1.00 0.00 WT1 H ATOM 19581 H2 TIP3 6649 -5.735 3.749 -7.656 1.00 0.00 WT1 H ATOM 19582 OH2 TIP3 6650 -6.393 1.792 3.575 1.00 0.00 WT1 O ATOM 19583 H1 TIP3 6650 -16.294 5.434 12.084 1.00 0.00 WT1 H ATOM 19584 H2 TIP3 6650 9.404 -14.250 19.328 1.00 0.00 WT1 H ATOM 19585 OH2 TIP3 6651 -3.169 0.332 -1.997 1.00 0.00 WT1 O ATOM 19586 H1 TIP3 6651 -8.697 -25.251 6.986 1.00 0.00 WT1 H ATOM 19587 H2 TIP3 6651 24.317 3.753 2.170 1.00 0.00 WT1 H ATOM 19588 OH2 TIP3 6652 0.073 3.027 2.568 1.00 0.00 WT1 O ATOM 19589 H1 TIP3 6652 -3.933 5.942 8.788 1.00 0.00 WT1 H ATOM 19590 H2 TIP3 6652 10.657 -17.101 -1.410 1.00 0.00 WT1 H ATOM 19591 OH2 TIP3 6653 -5.564 -2.227 -4.363 1.00 0.00 WT1 O ATOM 19592 H1 TIP3 6653 -1.397 -11.942 -5.376 1.00 0.00 WT1 H ATOM 19593 H2 TIP3 6653 -6.963 -3.466 -3.293 1.00 0.00 WT1 H ATOM 19594 OH2 TIP3 6654 -3.125 1.841 3.864 1.00 0.00 WT1 O ATOM 19595 H1 TIP3 6654 -10.664 -18.171 15.029 1.00 0.00 WT1 H ATOM 19596 H2 TIP3 6654 21.128 -0.094 9.441 1.00 0.00 WT1 H ATOM 19597 OH2 TIP3 6655 -2.017 4.090 0.935 1.00 0.00 WT1 O ATOM 19598 H1 TIP3 6655 -0.860 12.278 12.613 1.00 0.00 WT1 H ATOM 19599 H2 TIP3 6655 6.815 8.409 33.881 1.00 0.00 WT1 H ATOM 19600 OH2 TIP3 6656 4.373 5.426 -2.094 1.00 0.00 WT1 O ATOM 19601 H1 TIP3 6656 20.318 8.903 6.894 1.00 0.00 WT1 H ATOM 19602 H2 TIP3 6656 -4.049 -2.021 -9.277 1.00 0.00 WT1 H ATOM 19603 OH2 TIP3 6657 0.297 7.521 5.850 1.00 0.00 WT1 O ATOM 19604 H1 TIP3 6657 -18.612 -0.857 -16.975 1.00 0.00 WT1 H ATOM 19605 H2 TIP3 6657 -1.226 -4.140 -34.775 1.00 0.00 WT1 H ATOM 19606 OH2 TIP3 6658 -8.110 -2.718 2.343 1.00 0.00 WT1 O ATOM 19607 H1 TIP3 6658 3.798 -10.355 -2.543 1.00 0.00 WT1 H ATOM 19608 H2 TIP3 6658 -2.342 2.912 13.211 1.00 0.00 WT1 H ATOM 19609 OH2 TIP3 6659 -8.800 -0.580 -0.467 1.00 0.00 WT1 O ATOM 19610 H1 TIP3 6659 -2.002 -6.287 -6.079 1.00 0.00 WT1 H ATOM 19611 H2 TIP3 6659 -3.770 -8.280 8.305 1.00 0.00 WT1 H ATOM 19612 OH2 TIP3 6660 -4.437 -1.730 5.929 1.00 0.00 WT1 O ATOM 19613 H1 TIP3 6660 23.357 3.210 -0.458 1.00 0.00 WT1 H ATOM 19614 H2 TIP3 6660 -2.358 -3.445 22.497 1.00 0.00 WT1 H ATOM 19615 OH2 TIP3 6661 -4.889 -4.378 3.713 1.00 0.00 WT1 O ATOM 19616 H1 TIP3 6661 -16.511 -2.341 -7.354 1.00 0.00 WT1 H ATOM 19617 H2 TIP3 6661 16.034 3.864 11.999 1.00 0.00 WT1 H ATOM 19618 OH2 TIP3 6662 -2.599 -3.328 -3.241 1.00 0.00 WT1 O ATOM 19619 H1 TIP3 6662 -5.135 1.898 -1.563 1.00 0.00 WT1 H ATOM 19620 H2 TIP3 6662 1.899 -1.523 -6.363 1.00 0.00 WT1 H ATOM 19621 OH2 TIP3 6663 2.829 5.470 -2.329 1.00 0.00 WT1 O ATOM 19622 H1 TIP3 6663 16.860 -5.938 -10.355 1.00 0.00 WT1 H ATOM 19623 H2 TIP3 6663 7.569 25.598 12.058 1.00 0.00 WT1 H ATOM 19624 OH2 TIP3 6664 -0.711 -2.463 -0.316 1.00 0.00 WT1 O ATOM 19625 H1 TIP3 6664 11.914 1.829 4.025 1.00 0.00 WT1 H ATOM 19626 H2 TIP3 6664 -9.556 -1.301 10.060 1.00 0.00 WT1 H ATOM 19627 OH2 TIP3 6665 1.262 -2.309 4.899 1.00 0.00 WT1 O ATOM 19628 H1 TIP3 6665 -3.120 -2.968 7.203 1.00 0.00 WT1 H ATOM 19629 H2 TIP3 6665 12.704 4.151 -9.285 1.00 0.00 WT1 H ATOM 19630 OH2 TIP3 6666 -2.851 -3.279 -5.145 1.00 0.00 WT1 O ATOM 19631 H1 TIP3 6666 5.022 33.648 0.910 1.00 0.00 WT1 H ATOM 19632 H2 TIP3 6666 6.091 -18.887 -2.057 1.00 0.00 WT1 H ATOM 19633 OH2 TIP3 6667 9.163 -7.357 -0.991 1.00 0.00 WT1 O ATOM 19634 H1 TIP3 6667 -7.009 -16.275 -3.645 1.00 0.00 WT1 H ATOM 19635 H2 TIP3 6667 28.489 18.601 25.408 1.00 0.00 WT1 H ATOM 19636 OH2 TIP3 6668 2.521 -0.940 2.158 1.00 0.00 WT1 O ATOM 19637 H1 TIP3 6668 -3.716 0.051 -9.480 1.00 0.00 WT1 H ATOM 19638 H2 TIP3 6668 10.805 -14.892 -5.531 1.00 0.00 WT1 H ATOM 19639 OH2 TIP3 6669 -1.640 5.543 6.610 1.00 0.00 WT1 O ATOM 19640 H1 TIP3 6669 6.247 13.132 -14.207 1.00 0.00 WT1 H ATOM 19641 H2 TIP3 6669 7.335 -3.678 22.495 1.00 0.00 WT1 H ATOM 19642 OH2 TIP3 6670 1.258 2.855 -2.528 1.00 0.00 WT1 O ATOM 19643 H1 TIP3 6670 4.736 8.589 -16.549 1.00 0.00 WT1 H ATOM 19644 H2 TIP3 6670 5.052 22.773 -25.184 1.00 0.00 WT1 H ATOM 19645 OH2 TIP3 6671 -3.586 1.854 2.955 1.00 0.00 WT1 O ATOM 19646 H1 TIP3 6671 -2.808 -4.585 9.810 1.00 0.00 WT1 H ATOM 19647 H2 TIP3 6671 4.094 -2.235 5.320 1.00 0.00 WT1 H ATOM 19648 OH2 TIP3 6672 5.911 -4.909 -6.076 1.00 0.00 WT1 O ATOM 19649 H1 TIP3 6672 -3.766 -4.647 3.089 1.00 0.00 WT1 H ATOM 19650 H2 TIP3 6672 2.661 -8.411 -6.797 1.00 0.00 WT1 H ATOM 19651 OH2 TIP3 6673 0.281 7.365 -2.680 1.00 0.00 WT1 O ATOM 19652 H1 TIP3 6673 11.428 24.372 -2.939 1.00 0.00 WT1 H ATOM 19653 H2 TIP3 6673 13.335 21.450 11.761 1.00 0.00 WT1 H ATOM 19654 OH2 TIP3 6674 -0.271 -2.174 6.789 1.00 0.00 WT1 O ATOM 19655 H1 TIP3 6674 10.100 3.882 -17.123 1.00 0.00 WT1 H ATOM 19656 H2 TIP3 6674 -0.493 -3.847 12.755 1.00 0.00 WT1 H ATOM 19657 OH2 TIP3 6677 -5.528 -4.800 -1.397 1.00 0.00 WT1 O ATOM 19658 H1 TIP3 6677 26.858 -7.949 3.737 1.00 0.00 WT1 H ATOM 19659 H2 TIP3 6677 -8.634 -24.949 14.930 1.00 0.00 WT1 H ATOM 19660 OH2 TIP3 6678 2.307 4.204 0.208 1.00 0.00 WT1 O ATOM 19661 H1 TIP3 6678 0.557 16.883 0.235 1.00 0.00 WT1 H ATOM 19662 H2 TIP3 6678 17.279 -22.066 -13.826 1.00 0.00 WT1 H ATOM 19663 OH2 TIP3 6679 -3.561 -4.096 -2.534 1.00 0.00 WT1 O ATOM 19664 H1 TIP3 6679 -6.175 -22.984 -13.722 1.00 0.00 WT1 H ATOM 19665 H2 TIP3 6679 4.365 15.938 -4.684 1.00 0.00 WT1 H ATOM 19666 OH2 TIP3 6680 5.207 -4.219 8.625 1.00 0.00 WT1 O ATOM 19667 H1 TIP3 6680 -27.014 8.305 -0.237 1.00 0.00 WT1 H ATOM 19668 H2 TIP3 6680 24.990 -6.108 11.225 1.00 0.00 WT1 H ATOM 19669 OH2 TIP3 6681 -8.417 0.568 -0.403 1.00 0.00 WT1 O ATOM 19670 H1 TIP3 6681 -6.707 -2.251 6.944 1.00 0.00 WT1 H ATOM 19671 H2 TIP3 6681 -2.153 -3.657 14.180 1.00 0.00 WT1 H ATOM 19672 OH2 TIP3 6682 -1.974 1.957 2.458 1.00 0.00 WT1 O ATOM 19673 H1 TIP3 6682 -19.471 32.277 -3.875 1.00 0.00 WT1 H ATOM 19674 H2 TIP3 6682 -16.846 9.671 -13.352 1.00 0.00 WT1 H ATOM 19675 OH2 TIP3 6683 -6.502 0.787 2.511 1.00 0.00 WT1 O ATOM 19676 H1 TIP3 6683 -25.132 5.006 -9.982 1.00 0.00 WT1 H ATOM 19677 H2 TIP3 6683 -14.623 -8.435 14.739 1.00 0.00 WT1 H ATOM 19678 OH2 TIP3 6684 1.218 3.277 -4.725 1.00 0.00 WT1 O ATOM 19679 H1 TIP3 6684 9.346 6.069 -9.090 1.00 0.00 WT1 H ATOM 19680 H2 TIP3 6684 2.133 0.890 2.923 1.00 0.00 WT1 H ATOM 19681 OH2 TIP3 6685 1.919 1.150 8.198 1.00 0.00 WT1 O ATOM 19682 H1 TIP3 6685 2.446 -24.289 21.439 1.00 0.00 WT1 H ATOM 19683 H2 TIP3 6685 -24.099 -1.839 -24.458 1.00 0.00 WT1 H ATOM 19684 OH2 TIP3 6686 -0.552 -3.831 2.311 1.00 0.00 WT1 O ATOM 19685 H1 TIP3 6686 -5.998 -0.101 1.885 1.00 0.00 WT1 H ATOM 19686 H2 TIP3 6686 26.806 0.064 8.473 1.00 0.00 WT1 H ATOM 19687 OH2 TIP3 6687 3.704 -7.471 -3.691 1.00 0.00 WT1 O ATOM 19688 H1 TIP3 6687 9.775 4.696 -7.277 1.00 0.00 WT1 H ATOM 19689 H2 TIP3 6687 4.792 -4.161 -2.614 1.00 0.00 WT1 H ATOM 19690 OH2 TIP3 6688 -0.743 2.095 -0.740 1.00 0.00 WT1 O ATOM 19691 H1 TIP3 6688 -9.886 -3.647 0.202 1.00 0.00 WT1 H ATOM 19692 H2 TIP3 6688 -5.331 -4.693 7.670 1.00 0.00 WT1 H ATOM 19693 OH2 TIP3 6689 10.759 -0.428 -1.619 1.00 0.00 WT1 O ATOM 19694 H1 TIP3 6689 11.137 -2.534 -4.483 1.00 0.00 WT1 H ATOM 19695 H2 TIP3 6689 20.929 -8.253 9.761 1.00 0.00 WT1 H ATOM 19696 OH2 TIP3 6690 -5.381 0.995 3.851 1.00 0.00 WT1 O ATOM 19697 H1 TIP3 6690 4.571 -5.019 18.904 1.00 0.00 WT1 H ATOM 19698 H2 TIP3 6690 -11.934 -0.271 4.967 1.00 0.00 WT1 H ATOM 19699 OH2 TIP3 6691 -0.468 -1.756 4.126 1.00 0.00 WT1 O ATOM 19700 H1 TIP3 6691 5.532 -4.315 8.438 1.00 0.00 WT1 H ATOM 19701 H2 TIP3 6691 -6.552 8.648 -3.881 1.00 0.00 WT1 H ATOM 19702 OH2 TIP3 6692 -3.667 -0.339 2.989 1.00 0.00 WT1 O ATOM 19703 H1 TIP3 6692 -10.735 -22.152 4.928 1.00 0.00 WT1 H ATOM 19704 H2 TIP3 6692 -19.912 17.993 13.276 1.00 0.00 WT1 H ATOM 19705 OH2 TIP3 6693 -4.964 -6.371 7.279 1.00 0.00 WT1 O ATOM 19706 H1 TIP3 6693 -14.204 4.494 1.123 1.00 0.00 WT1 H ATOM 19707 H2 TIP3 6693 2.536 -18.273 21.485 1.00 0.00 WT1 H ATOM 19708 OH2 TIP3 6694 1.765 -4.701 -1.912 1.00 0.00 WT1 O ATOM 19709 H1 TIP3 6694 4.703 -1.639 -12.911 1.00 0.00 WT1 H ATOM 19710 H2 TIP3 6694 8.591 -0.163 -2.459 1.00 0.00 WT1 H ATOM 19711 OH2 TIP3 6695 4.901 -1.514 1.920 1.00 0.00 WT1 O ATOM 19712 H1 TIP3 6695 24.701 9.825 -14.300 1.00 0.00 WT1 H ATOM 19713 H2 TIP3 6695 -5.136 -7.315 11.244 1.00 0.00 WT1 H ATOM 19714 OH2 TIP3 6696 -2.838 3.349 1.276 1.00 0.00 WT1 O ATOM 19715 H1 TIP3 6696 -13.352 7.083 -22.657 1.00 0.00 WT1 H ATOM 19716 H2 TIP3 6696 4.792 -6.123 16.273 1.00 0.00 WT1 H ATOM 19717 OH2 TIP3 6697 5.846 3.974 2.423 1.00 0.00 WT1 O ATOM 19718 H1 TIP3 6697 -12.020 -0.527 -11.149 1.00 0.00 WT1 H ATOM 19719 H2 TIP3 6697 20.244 12.471 -10.753 1.00 0.00 WT1 H ATOM 19720 OH2 TIP3 6698 3.581 5.188 4.000 1.00 0.00 WT1 O ATOM 19721 H1 TIP3 6698 12.578 -8.974 19.605 1.00 0.00 WT1 H ATOM 19722 H2 TIP3 6698 1.486 9.243 0.590 1.00 0.00 WT1 H ATOM 19723 OH2 TIP3 6699 -11.766 -5.341 4.454 1.00 0.00 WT1 O ATOM 19724 H1 TIP3 6699 4.385 16.530 7.617 1.00 0.00 WT1 H ATOM 19725 H2 TIP3 6699 -32.858 -15.802 5.354 1.00 0.00 WT1 H ATOM 19726 OH2 TIP3 6700 1.144 -2.058 3.666 1.00 0.00 WT1 O ATOM 19727 H1 TIP3 6700 10.466 13.368 9.394 1.00 0.00 WT1 H ATOM 19728 H2 TIP3 6700 16.454 -5.792 -2.253 1.00 0.00 WT1 H ATOM 19729 OH2 TIP3 6701 1.667 2.673 -2.291 1.00 0.00 WT1 O ATOM 19730 H1 TIP3 6701 9.378 13.111 -17.028 1.00 0.00 WT1 H ATOM 19731 H2 TIP3 6701 15.075 -22.964 -3.213 1.00 0.00 WT1 H ATOM 19732 OH2 TIP3 6702 -0.375 -2.561 -3.741 1.00 0.00 WT1 O ATOM 19733 H1 TIP3 6702 25.666 -2.183 30.713 1.00 0.00 WT1 H ATOM 19734 H2 TIP3 6702 -12.275 2.975 10.732 1.00 0.00 WT1 H ATOM 19735 OH2 TIP3 6703 6.114 -8.181 -3.056 1.00 0.00 WT1 O ATOM 19736 H1 TIP3 6703 -3.062 -7.299 3.591 1.00 0.00 WT1 H ATOM 19737 H2 TIP3 6703 3.584 -4.037 1.454 1.00 0.00 WT1 H ATOM 19738 OH2 TIP3 6704 7.920 2.030 -1.220 1.00 0.00 WT1 O ATOM 19739 H1 TIP3 6704 1.387 8.223 -34.872 1.00 0.00 WT1 H ATOM 19740 H2 TIP3 6704 -16.636 -12.966 7.322 1.00 0.00 WT1 H ATOM 19741 OH2 TIP3 6705 -6.844 -0.544 -4.771 1.00 0.00 WT1 O ATOM 19742 H1 TIP3 6705 -21.840 5.727 -6.414 1.00 0.00 WT1 H ATOM 19743 H2 TIP3 6705 2.881 9.629 -13.827 1.00 0.00 WT1 H ATOM 19744 OH2 TIP3 6706 -2.255 -0.276 -0.796 1.00 0.00 WT1 O ATOM 19745 H1 TIP3 6706 1.890 -14.694 10.116 1.00 0.00 WT1 H ATOM 19746 H2 TIP3 6706 -6.500 21.800 -30.920 1.00 0.00 WT1 H ATOM 19747 OH2 TIP3 6707 -2.479 -8.075 4.368 1.00 0.00 WT1 O ATOM 19748 H1 TIP3 6707 -0.813 6.120 17.578 1.00 0.00 WT1 H ATOM 19749 H2 TIP3 6707 -4.504 -10.673 2.978 1.00 0.00 WT1 H ATOM 19750 OH2 TIP3 6708 3.816 2.493 1.075 1.00 0.00 WT1 O ATOM 19751 H1 TIP3 6708 -7.346 -8.063 -0.673 1.00 0.00 WT1 H ATOM 19752 H2 TIP3 6708 3.533 5.479 16.221 1.00 0.00 WT1 H ATOM 19753 OH2 TIP3 6709 -0.447 2.462 -8.389 1.00 0.00 WT1 O ATOM 19754 H1 TIP3 6709 2.027 14.534 7.151 1.00 0.00 WT1 H ATOM 19755 H2 TIP3 6709 -3.465 -3.838 -18.352 1.00 0.00 WT1 H ATOM 19756 OH2 TIP3 6710 5.216 -4.681 -5.369 1.00 0.00 WT1 O ATOM 19757 H1 TIP3 6710 0.177 -6.466 -8.055 1.00 0.00 WT1 H ATOM 19758 H2 TIP3 6710 -0.673 -10.680 -14.287 1.00 0.00 WT1 H ATOM 19759 OH2 TIP3 6711 -5.297 -0.245 -4.215 1.00 0.00 WT1 O ATOM 19760 H1 TIP3 6711 1.168 1.666 -6.097 1.00 0.00 WT1 H ATOM 19761 H2 TIP3 6711 8.664 5.793 19.885 1.00 0.00 WT1 H ATOM 19762 OH2 TIP3 6712 -0.844 4.641 0.067 1.00 0.00 WT1 O ATOM 19763 H1 TIP3 6712 -5.498 -13.664 -13.936 1.00 0.00 WT1 H ATOM 19764 H2 TIP3 6712 -11.533 -28.176 -23.391 1.00 0.00 WT1 H ATOM 19765 OH2 TIP3 6713 1.222 2.528 -4.078 1.00 0.00 WT1 O ATOM 19766 H1 TIP3 6713 0.913 -9.923 8.179 1.00 0.00 WT1 H ATOM 19767 H2 TIP3 6713 0.578 11.146 -13.112 1.00 0.00 WT1 H ATOM 19768 OH2 TIP3 6714 3.928 -8.292 -2.178 1.00 0.00 WT1 O ATOM 19769 H1 TIP3 6714 -1.677 -28.424 7.544 1.00 0.00 WT1 H ATOM 19770 H2 TIP3 6714 -0.553 -8.438 0.773 1.00 0.00 WT1 H ATOM 19771 OH2 TIP3 6715 0.113 2.129 1.582 1.00 0.00 WT1 O ATOM 19772 H1 TIP3 6715 10.111 5.687 -1.751 1.00 0.00 WT1 H ATOM 19773 H2 TIP3 6715 -2.727 7.179 12.850 1.00 0.00 WT1 H ATOM 19774 OH2 TIP3 6716 -7.708 6.903 -5.993 1.00 0.00 WT1 O ATOM 19775 H1 TIP3 6716 -9.228 10.799 7.065 1.00 0.00 WT1 H ATOM 19776 H2 TIP3 6716 -4.565 10.579 -0.796 1.00 0.00 WT1 H ATOM 19777 OH2 TIP3 6717 -4.231 -1.867 1.126 1.00 0.00 WT1 O ATOM 19778 H1 TIP3 6717 -0.357 -0.569 -13.778 1.00 0.00 WT1 H ATOM 19779 H2 TIP3 6717 4.184 -8.262 -19.222 1.00 0.00 WT1 H ATOM 19780 OH2 TIP3 6718 -14.088 -1.328 0.227 1.00 0.00 WT1 O ATOM 19781 H1 TIP3 6718 22.277 -8.028 14.607 1.00 0.00 WT1 H ATOM 19782 H2 TIP3 6718 -7.241 -1.923 -1.666 1.00 0.00 WT1 H ATOM 19783 OH2 TIP3 6719 0.318 -2.759 -2.795 1.00 0.00 WT1 O ATOM 19784 H1 TIP3 6719 -2.708 -1.308 -10.553 1.00 0.00 WT1 H ATOM 19785 H2 TIP3 6719 -4.228 -0.710 -23.634 1.00 0.00 WT1 H ATOM 19786 OH2 TIP3 6720 0.957 10.573 -0.450 1.00 0.00 WT1 O ATOM 19787 H1 TIP3 6720 15.313 -21.536 -11.897 1.00 0.00 WT1 H ATOM 19788 H2 TIP3 6720 5.867 -11.119 -20.757 1.00 0.00 WT1 H ATOM 19789 OH2 TIP3 6721 0.096 -6.333 0.662 1.00 0.00 WT1 O ATOM 19790 H1 TIP3 6721 11.077 -4.742 16.507 1.00 0.00 WT1 H ATOM 19791 H2 TIP3 6721 14.299 0.467 -25.386 1.00 0.00 WT1 H ATOM 19792 OH2 TIP3 6722 1.993 1.925 -4.751 1.00 0.00 WT1 O ATOM 19793 H1 TIP3 6722 -9.584 9.713 33.697 1.00 0.00 WT1 H ATOM 19794 H2 TIP3 6722 13.617 20.364 11.657 1.00 0.00 WT1 H ATOM 19795 OH2 TIP3 6723 2.888 -6.093 -0.005 1.00 0.00 WT1 O ATOM 19796 H1 TIP3 6723 2.609 1.785 2.817 1.00 0.00 WT1 H ATOM 19797 H2 TIP3 6723 -0.359 -20.396 -4.574 1.00 0.00 WT1 H ATOM 19798 OH2 TIP3 6724 -5.760 9.445 -4.575 1.00 0.00 WT1 O ATOM 19799 H1 TIP3 6724 13.461 -10.538 2.340 1.00 0.00 WT1 H ATOM 19800 H2 TIP3 6724 -3.230 10.667 -1.952 1.00 0.00 WT1 H ATOM 19801 OH2 TIP3 6725 -1.439 -4.274 2.534 1.00 0.00 WT1 O ATOM 19802 H1 TIP3 6725 -6.489 0.035 0.507 1.00 0.00 WT1 H ATOM 19803 H2 TIP3 6725 2.302 -5.022 0.012 1.00 0.00 WT1 H ATOM 19804 OH2 TIP3 6726 1.718 8.664 4.255 1.00 0.00 WT1 O ATOM 19805 H1 TIP3 6726 6.513 3.677 27.829 1.00 0.00 WT1 H ATOM 19806 H2 TIP3 6726 -0.817 -6.941 -14.693 1.00 0.00 WT1 H ATOM 19807 OH2 TIP3 6727 11.785 0.942 3.501 1.00 0.00 WT1 O ATOM 19808 H1 TIP3 6727 33.727 -2.070 -11.033 1.00 0.00 WT1 H ATOM 19809 H2 TIP3 6727 -10.180 -17.873 -10.025 1.00 0.00 WT1 H ATOM 19810 OH2 TIP3 6728 -6.790 0.350 6.554 1.00 0.00 WT1 O ATOM 19811 H1 TIP3 6728 -21.318 10.042 22.264 1.00 0.00 WT1 H ATOM 19812 H2 TIP3 6728 5.829 -11.231 -9.397 1.00 0.00 WT1 H ATOM 19813 OH2 TIP3 6729 -7.349 -0.505 -4.646 1.00 0.00 WT1 O ATOM 19814 H1 TIP3 6729 -1.144 -0.329 -1.240 1.00 0.00 WT1 H ATOM 19815 H2 TIP3 6729 -3.701 -1.833 -0.989 1.00 0.00 WT1 H ATOM 19816 OH2 TIP3 6730 6.260 -0.435 -3.258 1.00 0.00 WT1 O ATOM 19817 H1 TIP3 6730 -0.692 3.645 4.144 1.00 0.00 WT1 H ATOM 19818 H2 TIP3 6730 -9.044 -31.269 -2.610 1.00 0.00 WT1 H ATOM 19819 OH2 TIP3 6731 2.810 -6.501 2.158 1.00 0.00 WT1 O ATOM 19820 H1 TIP3 6731 -6.427 -24.845 0.574 1.00 0.00 WT1 H ATOM 19821 H2 TIP3 6731 5.326 5.757 -3.239 1.00 0.00 WT1 H ATOM 19822 OH2 TIP3 6732 -3.096 0.376 6.051 1.00 0.00 WT1 O ATOM 19823 H1 TIP3 6732 -3.160 -12.616 21.670 1.00 0.00 WT1 H ATOM 19824 H2 TIP3 6732 19.864 -16.543 -32.261 1.00 0.00 WT1 H ATOM 19825 OH2 TIP3 6733 -1.235 -8.521 -1.359 1.00 0.00 WT1 O ATOM 19826 H1 TIP3 6733 3.748 -21.615 -3.435 1.00 0.00 WT1 H ATOM 19827 H2 TIP3 6733 4.878 -8.032 7.617 1.00 0.00 WT1 H ATOM 19828 OH2 TIP3 6734 -0.695 0.865 3.105 1.00 0.00 WT1 O ATOM 19829 H1 TIP3 6734 -2.561 -0.767 7.754 1.00 0.00 WT1 H ATOM 19830 H2 TIP3 6734 -1.737 0.746 3.969 1.00 0.00 WT1 H ATOM 19831 OH2 TIP3 6735 1.569 6.921 -0.466 1.00 0.00 WT1 O ATOM 19832 H1 TIP3 6735 -1.370 10.578 15.326 1.00 0.00 WT1 H ATOM 19833 H2 TIP3 6735 6.781 18.368 -7.673 1.00 0.00 WT1 H ATOM 19834 OH2 TIP3 6736 1.865 5.297 -0.314 1.00 0.00 WT1 O ATOM 19835 H1 TIP3 6736 1.903 -12.538 5.298 1.00 0.00 WT1 H ATOM 19836 H2 TIP3 6736 1.632 -7.699 19.792 1.00 0.00 WT1 H ATOM 19837 OH2 TIP3 6737 2.975 0.003 -0.272 1.00 0.00 WT1 O ATOM 19838 H1 TIP3 6737 17.434 -11.874 -0.476 1.00 0.00 WT1 H ATOM 19839 H2 TIP3 6737 -7.244 -13.659 5.052 1.00 0.00 WT1 H ATOM 19840 OH2 TIP3 6738 4.773 7.577 -9.057 1.00 0.00 WT1 O ATOM 19841 H1 TIP3 6738 2.783 3.028 7.533 1.00 0.00 WT1 H ATOM 19842 H2 TIP3 6738 21.352 -14.264 -14.832 1.00 0.00 WT1 H ATOM 19843 OH2 TIP3 6739 1.530 3.012 -5.147 1.00 0.00 WT1 O ATOM 19844 H1 TIP3 6739 -1.063 -4.396 0.205 1.00 0.00 WT1 H ATOM 19845 H2 TIP3 6739 1.683 -0.703 -12.964 1.00 0.00 WT1 H ATOM 19846 OH2 TIP3 6740 2.596 -2.968 -5.162 1.00 0.00 WT1 O ATOM 19847 H1 TIP3 6740 0.613 -9.042 -2.451 1.00 0.00 WT1 H ATOM 19848 H2 TIP3 6740 -21.312 -18.727 8.061 1.00 0.00 WT1 H ATOM 19849 OH2 TIP3 6741 0.453 1.549 -4.166 1.00 0.00 WT1 O ATOM 19850 H1 TIP3 6741 31.534 -14.545 -7.991 1.00 0.00 WT1 H ATOM 19851 H2 TIP3 6741 -5.076 -15.127 -1.998 1.00 0.00 WT1 H ATOM 19852 OH2 TIP3 6742 5.601 3.673 0.472 1.00 0.00 WT1 O ATOM 19853 H1 TIP3 6742 3.244 -6.636 8.898 1.00 0.00 WT1 H ATOM 19854 H2 TIP3 6742 7.406 -1.418 -5.203 1.00 0.00 WT1 H ATOM 19855 OH2 TIP3 6743 6.992 -5.607 2.050 1.00 0.00 WT1 O ATOM 19856 H1 TIP3 6743 27.672 -4.419 3.952 1.00 0.00 WT1 H ATOM 19857 H2 TIP3 6743 0.690 -0.054 -16.622 1.00 0.00 WT1 H ATOM 19858 OH2 TIP3 6744 4.905 -1.571 -4.877 1.00 0.00 WT1 O ATOM 19859 H1 TIP3 6744 -11.801 7.061 10.507 1.00 0.00 WT1 H ATOM 19860 H2 TIP3 6744 -2.784 6.454 -19.425 1.00 0.00 WT1 H ATOM 19861 OH2 TIP3 6745 -3.016 -3.637 0.106 1.00 0.00 WT1 O ATOM 19862 H1 TIP3 6745 -11.969 12.434 0.494 1.00 0.00 WT1 H ATOM 19863 H2 TIP3 6745 4.733 -5.256 17.019 1.00 0.00 WT1 H ATOM 19864 OH2 TIP3 6746 -10.168 -1.753 1.356 1.00 0.00 WT1 O ATOM 19865 H1 TIP3 6746 -15.451 -9.050 6.520 1.00 0.00 WT1 H ATOM 19866 H2 TIP3 6746 12.635 3.514 8.653 1.00 0.00 WT1 H ATOM 19867 OH2 TIP3 6747 -0.816 -1.245 5.708 1.00 0.00 WT1 O ATOM 19868 H1 TIP3 6747 0.328 -4.034 -2.060 1.00 0.00 WT1 H ATOM 19869 H2 TIP3 6747 -17.879 -9.208 22.883 1.00 0.00 WT1 H ATOM 19870 OH2 TIP3 6748 3.408 5.748 1.330 1.00 0.00 WT1 O ATOM 19871 H1 TIP3 6748 -14.698 12.775 -14.335 1.00 0.00 WT1 H ATOM 19872 H2 TIP3 6748 -16.172 -11.910 20.168 1.00 0.00 WT1 H ATOM 19873 OH2 TIP3 6749 0.059 2.982 0.938 1.00 0.00 WT1 O ATOM 19874 H1 TIP3 6749 2.571 -0.874 -5.437 1.00 0.00 WT1 H ATOM 19875 H2 TIP3 6749 -2.584 -3.984 6.595 1.00 0.00 WT1 H ATOM 19876 OH2 TIP3 6750 4.040 4.227 2.033 1.00 0.00 WT1 O ATOM 19877 H1 TIP3 6750 -0.639 24.217 -0.944 1.00 0.00 WT1 H ATOM 19878 H2 TIP3 6750 9.634 2.131 20.980 1.00 0.00 WT1 H ATOM 19879 OH2 TIP3 6751 0.529 2.741 -4.615 1.00 0.00 WT1 O ATOM 19880 H1 TIP3 6751 13.348 -2.417 -12.778 1.00 0.00 WT1 H ATOM 19881 H2 TIP3 6751 9.590 -1.301 9.552 1.00 0.00 WT1 H ATOM 19882 OH2 TIP3 6752 -2.259 4.287 -2.477 1.00 0.00 WT1 O ATOM 19883 H1 TIP3 6752 12.424 -10.649 -12.319 1.00 0.00 WT1 H ATOM 19884 H2 TIP3 6752 -13.089 -8.804 -5.001 1.00 0.00 WT1 H ATOM 19885 OH2 TIP3 6753 2.819 1.128 -5.657 1.00 0.00 WT1 O ATOM 19886 H1 TIP3 6753 -2.298 6.323 3.271 1.00 0.00 WT1 H ATOM 19887 H2 TIP3 6753 16.309 -19.549 -37.015 1.00 0.00 WT1 H ATOM 19888 OH2 TIP3 6754 1.293 -6.476 -5.622 1.00 0.00 WT1 O ATOM 19889 H1 TIP3 6754 6.211 -0.254 -8.092 1.00 0.00 WT1 H ATOM 19890 H2 TIP3 6754 -12.718 -11.455 3.970 1.00 0.00 WT1 H ATOM 19891 OH2 TIP3 6755 -2.926 -3.722 10.545 1.00 0.00 WT1 O ATOM 19892 H1 TIP3 6755 -8.512 0.635 3.747 1.00 0.00 WT1 H ATOM 19893 H2 TIP3 6755 -9.426 -5.133 16.723 1.00 0.00 WT1 H ATOM 19894 OH2 TIP3 6756 -1.016 -10.030 -1.498 1.00 0.00 WT1 O ATOM 19895 H1 TIP3 6756 -5.203 -4.393 1.106 1.00 0.00 WT1 H ATOM 19896 H2 TIP3 6756 -3.105 -12.294 -3.498 1.00 0.00 WT1 H ATOM 19897 OH2 TIP3 6757 4.733 2.257 -0.033 1.00 0.00 WT1 O ATOM 19898 H1 TIP3 6757 8.646 5.529 0.446 1.00 0.00 WT1 H ATOM 19899 H2 TIP3 6757 -3.642 -5.855 -0.625 1.00 0.00 WT1 H ATOM 19900 OH2 TIP3 6758 -1.029 -4.673 2.091 1.00 0.00 WT1 O ATOM 19901 H1 TIP3 6758 6.089 20.829 -7.366 1.00 0.00 WT1 H ATOM 19902 H2 TIP3 6758 2.597 -6.496 -7.258 1.00 0.00 WT1 H ATOM 19903 OH2 TIP3 6759 -1.804 -4.775 -2.939 1.00 0.00 WT1 O ATOM 19904 H1 TIP3 6759 5.718 -2.127 10.283 1.00 0.00 WT1 H ATOM 19905 H2 TIP3 6759 -14.970 6.597 -2.397 1.00 0.00 WT1 H ATOM 19906 OH2 TIP3 6760 3.611 -1.454 -2.138 1.00 0.00 WT1 O ATOM 19907 H1 TIP3 6760 -1.177 -3.674 -3.398 1.00 0.00 WT1 H ATOM 19908 H2 TIP3 6760 -5.934 -1.765 -6.312 1.00 0.00 WT1 H ATOM 19909 OH2 TIP3 6761 4.596 3.101 2.318 1.00 0.00 WT1 O ATOM 19910 H1 TIP3 6761 -17.922 0.432 7.065 1.00 0.00 WT1 H ATOM 19911 H2 TIP3 6761 3.428 -11.605 -21.846 1.00 0.00 WT1 H ATOM 19912 OH2 TIP3 6762 -2.016 -12.397 -2.962 1.00 0.00 WT1 O ATOM 19913 H1 TIP3 6762 19.471 10.372 -5.495 1.00 0.00 WT1 H ATOM 19914 H2 TIP3 6762 15.555 -13.383 -0.023 1.00 0.00 WT1 H ATOM 19915 OH2 TIP3 6763 -6.050 0.657 5.979 1.00 0.00 WT1 O ATOM 19916 H1 TIP3 6763 16.171 -2.390 -13.180 1.00 0.00 WT1 H ATOM 19917 H2 TIP3 6763 13.437 -8.573 -11.331 1.00 0.00 WT1 H ATOM 19918 OH2 TIP3 6764 -0.504 4.962 -2.781 1.00 0.00 WT1 O ATOM 19919 H1 TIP3 6764 0.034 4.776 -3.257 1.00 0.00 WT1 H ATOM 19920 H2 TIP3 6764 7.070 -11.162 -11.403 1.00 0.00 WT1 H ATOM 19921 OH2 TIP3 6765 2.021 1.174 2.583 1.00 0.00 WT1 O ATOM 19922 H1 TIP3 6765 -10.214 -8.255 -16.887 1.00 0.00 WT1 H ATOM 19923 H2 TIP3 6765 22.198 -7.382 0.239 1.00 0.00 WT1 H ATOM 19924 OH2 TIP3 6766 2.345 5.921 -7.488 1.00 0.00 WT1 O ATOM 19925 H1 TIP3 6766 10.942 4.929 -4.701 1.00 0.00 WT1 H ATOM 19926 H2 TIP3 6766 16.534 14.482 -40.467 1.00 0.00 WT1 H ATOM 19927 OH2 TIP3 6767 9.870 -2.920 5.959 1.00 0.00 WT1 O ATOM 19928 H1 TIP3 6767 17.690 -9.969 -1.260 1.00 0.00 WT1 H ATOM 19929 H2 TIP3 6767 12.989 -5.250 11.062 1.00 0.00 WT1 H ATOM 19930 OH2 TIP3 6768 0.603 2.520 -2.024 1.00 0.00 WT1 O ATOM 19931 H1 TIP3 6768 -3.566 -12.930 14.980 1.00 0.00 WT1 H ATOM 19932 H2 TIP3 6768 8.385 9.647 -8.510 1.00 0.00 WT1 H ATOM 19933 OH2 TIP3 6769 -2.742 0.644 0.257 1.00 0.00 WT1 O ATOM 19934 H1 TIP3 6769 -15.476 13.879 -26.033 1.00 0.00 WT1 H ATOM 19935 H2 TIP3 6769 -7.757 3.413 22.166 1.00 0.00 WT1 H ATOM 19936 OH2 TIP3 6770 2.719 0.193 4.776 1.00 0.00 WT1 O ATOM 19937 H1 TIP3 6770 16.026 3.476 7.311 1.00 0.00 WT1 H ATOM 19938 H2 TIP3 6770 -15.104 -5.855 11.392 1.00 0.00 WT1 H ATOM 19939 OH2 TIP3 6771 -5.291 8.088 0.332 1.00 0.00 WT1 O ATOM 19940 H1 TIP3 6771 9.495 -10.874 -3.795 1.00 0.00 WT1 H ATOM 19941 H2 TIP3 6771 0.478 6.653 23.186 1.00 0.00 WT1 H ATOM 19942 OH2 TIP3 6772 -2.670 5.358 -1.616 1.00 0.00 WT1 O ATOM 19943 H1 TIP3 6772 -9.125 0.840 -11.471 1.00 0.00 WT1 H ATOM 19944 H2 TIP3 6772 -8.959 0.472 -6.669 1.00 0.00 WT1 H ATOM 19945 OH2 TIP3 6773 0.116 2.589 1.606 1.00 0.00 WT1 O ATOM 19946 H1 TIP3 6773 6.926 16.049 -6.232 1.00 0.00 WT1 H ATOM 19947 H2 TIP3 6773 1.945 -12.928 -4.198 1.00 0.00 WT1 H ATOM 19948 OH2 TIP3 6775 2.348 -0.010 -10.338 1.00 0.00 WT1 O ATOM 19949 H1 TIP3 6775 4.699 7.654 7.773 1.00 0.00 WT1 H ATOM 19950 H2 TIP3 6775 31.799 14.171 -28.902 1.00 0.00 WT1 H ATOM 19951 OH2 TIP3 6776 2.412 -1.104 -2.549 1.00 0.00 WT1 O ATOM 19952 H1 TIP3 6776 2.723 26.551 8.224 1.00 0.00 WT1 H ATOM 19953 H2 TIP3 6776 15.511 -1.263 -13.545 1.00 0.00 WT1 H ATOM 19954 OH2 TIP3 6777 -3.100 1.600 4.174 1.00 0.00 WT1 O ATOM 19955 H1 TIP3 6777 -4.586 4.562 -0.857 1.00 0.00 WT1 H ATOM 19956 H2 TIP3 6777 0.575 8.819 7.149 1.00 0.00 WT1 H ATOM 19957 OH2 TIP3 6778 -1.779 -8.553 -4.100 1.00 0.00 WT1 O ATOM 19958 H1 TIP3 6778 -1.983 9.058 -16.177 1.00 0.00 WT1 H ATOM 19959 H2 TIP3 6778 -10.058 -4.448 -3.936 1.00 0.00 WT1 H ATOM 19960 OH2 TIP3 6779 3.891 -3.910 1.329 1.00 0.00 WT1 O ATOM 19961 H1 TIP3 6779 1.944 -5.752 -0.573 1.00 0.00 WT1 H ATOM 19962 H2 TIP3 6779 6.140 -1.070 7.730 1.00 0.00 WT1 H ATOM 19963 OH2 TIP3 6780 -6.638 6.907 0.888 1.00 0.00 WT1 O ATOM 19964 H1 TIP3 6780 1.868 -0.704 -6.403 1.00 0.00 WT1 H ATOM 19965 H2 TIP3 6780 -14.002 5.367 -1.419 1.00 0.00 WT1 H ATOM 19966 OH2 TIP3 6781 5.111 -2.217 -1.608 1.00 0.00 WT1 O ATOM 19967 H1 TIP3 6781 27.925 28.326 9.028 1.00 0.00 WT1 H ATOM 19968 H2 TIP3 6781 -16.266 -4.421 -11.091 1.00 0.00 WT1 H ATOM 19969 OH2 TIP3 6782 -4.657 -2.337 1.768 1.00 0.00 WT1 O ATOM 19970 H1 TIP3 6782 -3.341 7.999 -2.709 1.00 0.00 WT1 H ATOM 19971 H2 TIP3 6782 18.090 19.950 -11.022 1.00 0.00 WT1 H ATOM 19972 OH2 TIP3 6783 -3.824 2.649 5.920 1.00 0.00 WT1 O ATOM 19973 H1 TIP3 6783 -4.124 0.976 4.270 1.00 0.00 WT1 H ATOM 19974 H2 TIP3 6783 1.918 17.680 1.864 1.00 0.00 WT1 H ATOM 19975 OH2 TIP3 6784 -7.068 3.440 -5.811 1.00 0.00 WT1 O ATOM 19976 H1 TIP3 6784 -13.633 -17.865 -9.696 1.00 0.00 WT1 H ATOM 19977 H2 TIP3 6784 -6.765 4.066 -7.178 1.00 0.00 WT1 H ATOM 19978 OH2 TIP3 6785 2.359 -0.187 10.507 1.00 0.00 WT1 O ATOM 19979 H1 TIP3 6785 1.909 3.262 7.143 1.00 0.00 WT1 H ATOM 19980 H2 TIP3 6785 6.166 1.700 11.320 1.00 0.00 WT1 H ATOM 19981 OH2 TIP3 6786 -0.927 -1.247 0.434 1.00 0.00 WT1 O ATOM 19982 H1 TIP3 6786 3.656 4.841 -17.469 1.00 0.00 WT1 H ATOM 19983 H2 TIP3 6786 14.102 9.454 12.128 1.00 0.00 WT1 H ATOM 19984 OH2 TIP3 6787 -6.311 4.428 -2.089 1.00 0.00 WT1 O ATOM 19985 H1 TIP3 6787 -14.499 9.025 4.511 1.00 0.00 WT1 H ATOM 19986 H2 TIP3 6787 29.387 16.208 8.746 1.00 0.00 WT1 H ATOM 19987 OH2 TIP3 6788 -3.109 -0.065 -3.699 1.00 0.00 WT1 O ATOM 19988 H1 TIP3 6788 13.662 -0.451 -27.984 1.00 0.00 WT1 H ATOM 19989 H2 TIP3 6788 -23.109 -10.340 -4.383 1.00 0.00 WT1 H ATOM 19990 OH2 TIP3 6789 1.872 -3.278 -1.144 1.00 0.00 WT1 O ATOM 19991 H1 TIP3 6789 2.349 -4.937 0.991 1.00 0.00 WT1 H ATOM 19992 H2 TIP3 6789 2.866 -4.480 0.391 1.00 0.00 WT1 H ATOM 19993 OH2 TIP3 6790 -3.924 2.644 2.369 1.00 0.00 WT1 O ATOM 19994 H1 TIP3 6790 -6.852 -5.313 -3.087 1.00 0.00 WT1 H ATOM 19995 H2 TIP3 6790 0.270 -4.014 -6.563 1.00 0.00 WT1 H ATOM 19996 OH2 TIP3 6791 -0.891 -6.832 -3.517 1.00 0.00 WT1 O ATOM 19997 H1 TIP3 6791 -6.645 12.705 2.338 1.00 0.00 WT1 H ATOM 19998 H2 TIP3 6791 32.350 -10.017 -0.255 1.00 0.00 WT1 H ATOM 19999 OH2 TIP3 6792 7.596 3.094 -6.559 1.00 0.00 WT1 O ATOM 20000 H1 TIP3 6792 6.024 -29.331 -0.569 1.00 0.00 WT1 H ATOM 20001 H2 TIP3 6792 -3.992 25.366 -2.110 1.00 0.00 WT1 H ATOM 20002 OH2 TIP3 6793 -1.971 1.429 -0.647 1.00 0.00 WT1 O ATOM 20003 H1 TIP3 6793 6.092 -8.469 19.598 1.00 0.00 WT1 H ATOM 20004 H2 TIP3 6793 -19.940 5.917 2.987 1.00 0.00 WT1 H ATOM 20005 OH2 TIP3 6794 5.101 -1.037 -0.840 1.00 0.00 WT1 O ATOM 20006 H1 TIP3 6794 -5.515 9.843 -0.195 1.00 0.00 WT1 H ATOM 20007 H2 TIP3 6794 -5.308 3.268 -14.125 1.00 0.00 WT1 H ATOM 20008 OH2 TIP3 6795 0.382 -0.454 -1.039 1.00 0.00 WT1 O ATOM 20009 H1 TIP3 6795 15.676 -0.096 22.444 1.00 0.00 WT1 H ATOM 20010 H2 TIP3 6795 -23.164 -19.669 10.225 1.00 0.00 WT1 H ATOM 20011 OH2 TIP3 6798 9.490 -4.242 -2.338 1.00 0.00 WT1 O ATOM 20012 H1 TIP3 6798 -17.018 3.693 -15.804 1.00 0.00 WT1 H ATOM 20013 H2 TIP3 6798 -11.366 22.656 -10.005 1.00 0.00 WT1 H ATOM 20014 OH2 TIP3 6799 -1.015 -3.220 -0.664 1.00 0.00 WT1 O ATOM 20015 H1 TIP3 6799 -1.118 -3.567 -0.602 1.00 0.00 WT1 H ATOM 20016 H2 TIP3 6799 -1.975 -3.862 -2.172 1.00 0.00 WT1 H ATOM 20017 OH2 TIP3 6800 2.786 -4.891 -1.244 1.00 0.00 WT1 O ATOM 20018 H1 TIP3 6800 5.734 -15.693 2.129 1.00 0.00 WT1 H ATOM 20019 H2 TIP3 6800 -3.464 0.827 -8.505 1.00 0.00 WT1 H ATOM 20020 OH2 TIP3 6801 2.953 8.877 -0.843 1.00 0.00 WT1 O ATOM 20021 H1 TIP3 6801 -3.813 5.284 -9.550 1.00 0.00 WT1 H ATOM 20022 H2 TIP3 6801 2.517 20.039 -19.428 1.00 0.00 WT1 H ATOM 20023 OH2 TIP3 6802 3.882 -2.153 -0.937 1.00 0.00 WT1 O ATOM 20024 H1 TIP3 6802 1.070 5.162 22.423 1.00 0.00 WT1 H ATOM 20025 H2 TIP3 6802 8.856 7.876 0.745 1.00 0.00 WT1 H ATOM 20026 OH2 TIP3 6803 -1.262 -1.861 0.053 1.00 0.00 WT1 O ATOM 20027 H1 TIP3 6803 -23.430 10.913 4.445 1.00 0.00 WT1 H ATOM 20028 H2 TIP3 6803 22.659 -1.653 -14.905 1.00 0.00 WT1 H ATOM 20029 OH2 TIP3 6804 1.327 -2.455 -0.606 1.00 0.00 WT1 O ATOM 20030 H1 TIP3 6804 0.476 -1.854 -0.869 1.00 0.00 WT1 H ATOM 20031 H2 TIP3 6804 14.285 0.525 -4.499 1.00 0.00 WT1 H ATOM 20032 OH2 TIP3 6805 4.781 5.744 0.271 1.00 0.00 WT1 O ATOM 20033 H1 TIP3 6805 -7.335 -3.209 14.461 1.00 0.00 WT1 H ATOM 20034 H2 TIP3 6805 13.574 11.821 -7.349 1.00 0.00 WT1 H ATOM 20035 OH2 TIP3 6806 -5.338 -1.836 -5.965 1.00 0.00 WT1 O ATOM 20036 H1 TIP3 6806 -18.938 6.840 13.899 1.00 0.00 WT1 H ATOM 20037 H2 TIP3 6806 1.386 -3.111 17.338 1.00 0.00 WT1 H ATOM 20038 OH2 TIP3 6807 -2.933 -2.555 9.451 1.00 0.00 WT1 O ATOM 20039 H1 TIP3 6807 -5.853 4.497 -8.831 1.00 0.00 WT1 H ATOM 20040 H2 TIP3 6807 8.573 12.731 19.648 1.00 0.00 WT1 H ATOM 20041 OH2 TIP3 6808 -0.069 4.959 -4.025 1.00 0.00 WT1 O ATOM 20042 H1 TIP3 6808 -5.570 0.579 -1.224 1.00 0.00 WT1 H ATOM 20043 H2 TIP3 6808 27.293 10.303 -10.128 1.00 0.00 WT1 H ATOM 20044 OH2 TIP3 6809 2.991 -9.251 -6.399 1.00 0.00 WT1 O ATOM 20045 H1 TIP3 6809 -6.438 -10.806 -10.787 1.00 0.00 WT1 H ATOM 20046 H2 TIP3 6809 32.084 -4.445 10.177 1.00 0.00 WT1 H ATOM 20047 OH2 TIP3 6810 -0.500 3.196 -9.754 1.00 0.00 WT1 O ATOM 20048 H1 TIP3 6810 -15.728 3.937 -9.695 1.00 0.00 WT1 H ATOM 20049 H2 TIP3 6810 -7.001 4.693 -24.358 1.00 0.00 WT1 H ATOM 20050 OH2 TIP3 6811 -0.445 3.983 -0.623 1.00 0.00 WT1 O ATOM 20051 H1 TIP3 6811 16.757 24.766 43.262 1.00 0.00 WT1 H ATOM 20052 H2 TIP3 6811 -1.757 -6.631 -11.337 1.00 0.00 WT1 H ATOM 20053 OH2 TIP3 6812 -0.306 1.080 1.447 1.00 0.00 WT1 O ATOM 20054 H1 TIP3 6812 -15.108 -0.808 -2.614 1.00 0.00 WT1 H ATOM 20055 H2 TIP3 6812 -7.469 18.303 7.423 1.00 0.00 WT1 H ATOM 20056 OH2 TIP3 6813 -8.594 -3.124 3.607 1.00 0.00 WT1 O ATOM 20057 H1 TIP3 6813 20.927 7.234 28.169 1.00 0.00 WT1 H ATOM 20058 H2 TIP3 6813 -13.479 -14.544 -7.494 1.00 0.00 WT1 H ATOM 20059 OH2 TIP3 6814 0.621 -0.784 4.199 1.00 0.00 WT1 O ATOM 20060 H1 TIP3 6814 -0.977 -1.761 -7.510 1.00 0.00 WT1 H ATOM 20061 H2 TIP3 6814 -16.591 10.389 -2.815 1.00 0.00 WT1 H ATOM 20062 OH2 TIP3 6817 -0.121 1.791 -2.965 1.00 0.00 WT1 O ATOM 20063 H1 TIP3 6817 1.158 3.793 -2.861 1.00 0.00 WT1 H ATOM 20064 H2 TIP3 6817 23.942 38.595 3.577 1.00 0.00 WT1 H ATOM 20065 OH2 TIP3 6818 -4.964 2.426 2.762 1.00 0.00 WT1 O ATOM 20066 H1 TIP3 6818 14.712 11.007 -6.802 1.00 0.00 WT1 H ATOM 20067 H2 TIP3 6818 -5.702 4.241 4.516 1.00 0.00 WT1 H ATOM 20068 OH2 TIP3 6819 -0.032 -6.910 -3.411 1.00 0.00 WT1 O ATOM 20069 H1 TIP3 6819 18.195 12.117 -11.460 1.00 0.00 WT1 H ATOM 20070 H2 TIP3 6819 -11.222 -5.525 19.772 1.00 0.00 WT1 H ATOM 20071 OH2 TIP3 6820 -2.553 -2.427 -8.493 1.00 0.00 WT1 O ATOM 20072 H1 TIP3 6820 -3.867 -24.043 2.090 1.00 0.00 WT1 H ATOM 20073 H2 TIP3 6820 -16.330 -2.104 7.573 1.00 0.00 WT1 H ATOM 20074 OH2 TIP3 6822 3.778 1.281 0.253 1.00 0.00 WT1 O ATOM 20075 H1 TIP3 6822 2.733 -41.690 -3.216 1.00 0.00 WT1 H ATOM 20076 H2 TIP3 6822 -11.276 -45.127 -12.268 1.00 0.00 WT1 H ATOM 20077 OH2 TIP3 6823 -5.464 -3.126 9.338 1.00 0.00 WT1 O ATOM 20078 H1 TIP3 6823 -0.002 -5.838 -3.838 1.00 0.00 WT1 H ATOM 20079 H2 TIP3 6823 -7.389 -5.358 7.554 1.00 0.00 WT1 H ATOM 20080 OH2 TIP3 6824 1.316 -1.227 -1.791 1.00 0.00 WT1 O ATOM 20081 H1 TIP3 6824 -10.457 -16.257 -1.012 1.00 0.00 WT1 H ATOM 20082 H2 TIP3 6824 -4.838 9.967 -12.489 1.00 0.00 WT1 H ATOM 20083 OH2 TIP3 6825 -1.271 4.895 1.215 1.00 0.00 WT1 O ATOM 20084 H1 TIP3 6825 21.125 3.309 18.786 1.00 0.00 WT1 H ATOM 20085 H2 TIP3 6825 -22.510 18.300 -4.254 1.00 0.00 WT1 H ATOM 20086 OH2 TIP3 6826 0.700 -5.733 -2.806 1.00 0.00 WT1 O ATOM 20087 H1 TIP3 6826 -1.742 15.960 0.076 1.00 0.00 WT1 H ATOM 20088 H2 TIP3 6826 -3.524 -1.273 5.513 1.00 0.00 WT1 H ATOM 20089 OH2 TIP3 6827 3.702 0.376 -2.288 1.00 0.00 WT1 O ATOM 20090 H1 TIP3 6827 3.776 4.605 -14.110 1.00 0.00 WT1 H ATOM 20091 H2 TIP3 6827 -3.330 8.985 5.032 1.00 0.00 WT1 H ATOM 20092 OH2 TIP3 6828 1.597 2.201 -1.237 1.00 0.00 WT1 O ATOM 20093 H1 TIP3 6828 0.764 9.908 -1.136 1.00 0.00 WT1 H ATOM 20094 H2 TIP3 6828 -0.923 2.797 -8.108 1.00 0.00 WT1 H ATOM 20095 OH2 TIP3 6829 4.946 -2.396 3.636 1.00 0.00 WT1 O ATOM 20096 H1 TIP3 6829 1.688 3.359 4.340 1.00 0.00 WT1 H ATOM 20097 H2 TIP3 6829 2.407 -7.356 10.313 1.00 0.00 WT1 H ATOM 20098 OH2 TIP3 6831 2.502 -4.365 0.420 1.00 0.00 WT1 O ATOM 20099 H1 TIP3 6831 -5.361 -10.998 -10.829 1.00 0.00 WT1 H ATOM 20100 H2 TIP3 6831 24.657 -19.593 13.448 1.00 0.00 WT1 H ATOM 20101 OH2 TIP3 6832 7.367 -6.962 2.225 1.00 0.00 WT1 O ATOM 20102 H1 TIP3 6832 -0.404 -15.469 1.292 1.00 0.00 WT1 H ATOM 20103 H2 TIP3 6832 9.444 -4.122 -0.298 1.00 0.00 WT1 H ATOM 20104 OH2 TIP3 6833 -2.045 -6.163 3.462 1.00 0.00 WT1 O ATOM 20105 H1 TIP3 6833 -0.500 -7.888 -3.974 1.00 0.00 WT1 H ATOM 20106 H2 TIP3 6833 -22.348 8.067 -3.073 1.00 0.00 WT1 H ATOM 20107 OH2 TIP3 6834 -3.483 2.898 0.346 1.00 0.00 WT1 O ATOM 20108 H1 TIP3 6834 0.193 0.356 -13.549 1.00 0.00 WT1 H ATOM 20109 H2 TIP3 6834 -13.612 6.467 -8.858 1.00 0.00 WT1 H ATOM 20110 OH2 TIP3 6836 0.909 2.836 3.840 1.00 0.00 WT1 O ATOM 20111 H1 TIP3 6836 -3.248 1.963 14.528 1.00 0.00 WT1 H ATOM 20112 H2 TIP3 6836 -5.853 6.974 9.066 1.00 0.00 WT1 H ATOM 20113 OH2 TIP3 6837 3.223 2.516 -2.079 1.00 0.00 WT1 O ATOM 20114 H1 TIP3 6837 -4.104 -5.180 6.659 1.00 0.00 WT1 H ATOM 20115 H2 TIP3 6837 -1.532 -9.706 14.201 1.00 0.00 WT1 H ATOM 20116 OH2 TIP3 6838 3.247 -1.974 -5.996 1.00 0.00 WT1 O ATOM 20117 H1 TIP3 6838 -3.030 2.645 -9.480 1.00 0.00 WT1 H ATOM 20118 H2 TIP3 6838 -6.586 4.425 2.731 1.00 0.00 WT1 H ATOM 20119 OH2 TIP3 6839 -0.809 -3.242 2.535 1.00 0.00 WT1 O ATOM 20120 H1 TIP3 6839 -20.012 -14.310 4.861 1.00 0.00 WT1 H ATOM 20121 H2 TIP3 6839 12.762 -15.579 -3.644 1.00 0.00 WT1 H ATOM 20122 OH2 TIP3 6840 5.153 -3.355 1.942 1.00 0.00 WT1 O ATOM 20123 H1 TIP3 6840 6.635 6.388 12.545 1.00 0.00 WT1 H ATOM 20124 H2 TIP3 6840 10.867 -12.850 9.869 1.00 0.00 WT1 H ATOM 20125 OH2 TIP3 6841 4.067 2.933 -0.502 1.00 0.00 WT1 O ATOM 20126 H1 TIP3 6841 4.320 -13.497 -1.704 1.00 0.00 WT1 H ATOM 20127 H2 TIP3 6841 20.122 0.940 4.588 1.00 0.00 WT1 H ATOM 20128 OH2 TIP3 6842 -0.073 -4.915 7.230 1.00 0.00 WT1 O ATOM 20129 H1 TIP3 6842 11.570 5.154 9.239 1.00 0.00 WT1 H ATOM 20130 H2 TIP3 6842 10.951 3.259 8.568 1.00 0.00 WT1 H ATOM 20131 OH2 TIP3 6843 4.270 -0.664 -0.056 1.00 0.00 WT1 O ATOM 20132 H1 TIP3 6843 -6.778 -16.648 10.425 1.00 0.00 WT1 H ATOM 20133 H2 TIP3 6843 -5.528 9.901 11.445 1.00 0.00 WT1 H ATOM 20134 OH2 TIP3 6844 5.658 0.120 -4.169 1.00 0.00 WT1 O ATOM 20135 H1 TIP3 6844 7.107 -2.324 1.889 1.00 0.00 WT1 H ATOM 20136 H2 TIP3 6844 1.001 8.993 7.455 1.00 0.00 WT1 H ATOM 20137 OH2 TIP3 6845 7.892 1.938 2.706 1.00 0.00 WT1 O ATOM 20138 H1 TIP3 6845 9.661 7.608 -13.206 1.00 0.00 WT1 H ATOM 20139 H2 TIP3 6845 22.041 9.996 18.397 1.00 0.00 WT1 H ATOM 20140 OH2 TIP3 6846 4.179 8.131 3.259 1.00 0.00 WT1 O ATOM 20141 H1 TIP3 6846 16.148 6.104 -5.169 1.00 0.00 WT1 H ATOM 20142 H2 TIP3 6846 -12.915 2.260 16.105 1.00 0.00 WT1 H ATOM 20143 OH2 TIP3 6847 0.067 -2.619 -4.265 1.00 0.00 WT1 O ATOM 20144 H1 TIP3 6847 -1.372 4.712 -17.138 1.00 0.00 WT1 H ATOM 20145 H2 TIP3 6847 11.160 19.262 -3.810 1.00 0.00 WT1 H ATOM 20146 OH2 TIP3 6848 -5.018 5.651 -0.341 1.00 0.00 WT1 O ATOM 20147 H1 TIP3 6848 -5.933 -20.069 -7.334 1.00 0.00 WT1 H ATOM 20148 H2 TIP3 6848 12.551 -12.768 -22.912 1.00 0.00 WT1 H ATOM 20149 OH2 TIP3 6849 0.151 -0.249 -1.188 1.00 0.00 WT1 O ATOM 20150 H1 TIP3 6849 8.391 14.862 -3.826 1.00 0.00 WT1 H ATOM 20151 H2 TIP3 6849 14.422 -4.826 6.593 1.00 0.00 WT1 H ATOM 20152 OH2 TIP3 6850 7.181 1.901 -1.111 1.00 0.00 WT1 O ATOM 20153 H1 TIP3 6850 26.103 10.818 19.699 1.00 0.00 WT1 H ATOM 20154 H2 TIP3 6850 -7.341 -5.452 -17.826 1.00 0.00 WT1 H ATOM 20155 OH2 TIP3 6851 -0.333 -2.991 -4.192 1.00 0.00 WT1 O ATOM 20156 H1 TIP3 6851 -0.806 -3.571 -0.799 1.00 0.00 WT1 H ATOM 20157 H2 TIP3 6851 0.255 -13.217 9.218 1.00 0.00 WT1 H ATOM 20158 OH2 TIP3 6852 1.575 -2.631 5.134 1.00 0.00 WT1 O ATOM 20159 H1 TIP3 6852 4.418 3.334 -11.243 1.00 0.00 WT1 H ATOM 20160 H2 TIP3 6852 -7.925 -2.540 -19.068 1.00 0.00 WT1 H ATOM 20161 OH2 TIP3 6853 -4.456 -0.083 5.114 1.00 0.00 WT1 O ATOM 20162 H1 TIP3 6853 -7.220 -5.357 12.675 1.00 0.00 WT1 H ATOM 20163 H2 TIP3 6853 2.024 17.639 -5.702 1.00 0.00 WT1 H ATOM 20164 OH2 TIP3 6854 2.860 11.735 -2.675 1.00 0.00 WT1 O ATOM 20165 H1 TIP3 6854 -1.776 21.064 -5.413 1.00 0.00 WT1 H ATOM 20166 H2 TIP3 6854 -26.706 -1.567 35.246 1.00 0.00 WT1 H ATOM 20167 OH2 TIP3 6855 -2.318 1.758 7.288 1.00 0.00 WT1 O ATOM 20168 H1 TIP3 6855 -3.589 0.224 5.111 1.00 0.00 WT1 H ATOM 20169 H2 TIP3 6855 -4.478 5.470 9.724 1.00 0.00 WT1 H ATOM 20170 OH2 TIP3 6857 1.575 3.436 2.240 1.00 0.00 WT1 O ATOM 20171 H1 TIP3 6857 5.787 3.361 0.276 1.00 0.00 WT1 H ATOM 20172 H2 TIP3 6857 -10.653 8.082 -18.750 1.00 0.00 WT1 H ATOM 20173 OH2 TIP3 6858 2.979 0.894 0.117 1.00 0.00 WT1 O ATOM 20174 H1 TIP3 6858 1.462 1.796 7.394 1.00 0.00 WT1 H ATOM 20175 H2 TIP3 6858 10.879 -10.011 -4.947 1.00 0.00 WT1 H ATOM 20176 OH2 TIP3 6859 -3.328 -5.737 -5.977 1.00 0.00 WT1 O ATOM 20177 H1 TIP3 6859 20.306 12.769 16.867 1.00 0.00 WT1 H ATOM 20178 H2 TIP3 6859 -1.665 -17.119 -10.562 1.00 0.00 WT1 H ATOM 20179 OH2 TIP3 6860 -1.505 -0.453 0.438 1.00 0.00 WT1 O ATOM 20180 H1 TIP3 6860 11.690 31.284 -13.707 1.00 0.00 WT1 H ATOM 20181 H2 TIP3 6860 -9.470 3.272 9.814 1.00 0.00 WT1 H ATOM 20182 OH2 TIP3 6861 2.191 4.373 0.582 1.00 0.00 WT1 O ATOM 20183 H1 TIP3 6861 7.476 -0.903 1.634 1.00 0.00 WT1 H ATOM 20184 H2 TIP3 6861 -3.213 8.456 -9.059 1.00 0.00 WT1 H ATOM 20185 OH2 TIP3 6862 1.700 -3.971 2.066 1.00 0.00 WT1 O ATOM 20186 H1 TIP3 6862 -2.346 -6.041 -14.057 1.00 0.00 WT1 H ATOM 20187 H2 TIP3 6862 -8.777 9.931 6.524 1.00 0.00 WT1 H ATOM 20188 OH2 TIP3 6863 -0.451 -3.101 -4.496 1.00 0.00 WT1 O ATOM 20189 H1 TIP3 6863 9.468 -26.512 19.369 1.00 0.00 WT1 H ATOM 20190 H2 TIP3 6863 -2.816 17.429 10.537 1.00 0.00 WT1 H ATOM 20191 OH2 TIP3 6864 5.562 1.352 -2.289 1.00 0.00 WT1 O ATOM 20192 H1 TIP3 6864 -10.075 -5.251 6.826 1.00 0.00 WT1 H ATOM 20193 H2 TIP3 6864 20.006 22.414 0.537 1.00 0.00 WT1 H ATOM 20194 OH2 TIP3 6865 -8.418 3.204 4.516 1.00 0.00 WT1 O ATOM 20195 H1 TIP3 6865 -2.627 -17.180 -2.876 1.00 0.00 WT1 H ATOM 20196 H2 TIP3 6865 17.802 18.535 -0.722 1.00 0.00 WT1 H ATOM 20197 OH2 TIP3 6866 -2.600 -2.397 0.090 1.00 0.00 WT1 O ATOM 20198 H1 TIP3 6866 17.818 -10.624 3.095 1.00 0.00 WT1 H ATOM 20199 H2 TIP3 6866 4.600 22.798 -11.941 1.00 0.00 WT1 H ATOM 20200 OH2 TIP3 6867 -3.495 -3.284 -0.247 1.00 0.00 WT1 O ATOM 20201 H1 TIP3 6867 3.521 -0.121 35.673 1.00 0.00 WT1 H ATOM 20202 H2 TIP3 6867 -7.257 -7.835 -16.721 1.00 0.00 WT1 H ATOM 20203 OH2 TIP3 6868 -7.479 4.682 -2.116 1.00 0.00 WT1 O ATOM 20204 H1 TIP3 6868 -14.513 -3.305 -12.412 1.00 0.00 WT1 H ATOM 20205 H2 TIP3 6868 -6.795 5.265 -1.883 1.00 0.00 WT1 H ATOM 20206 OH2 TIP3 6869 0.288 -0.984 0.489 1.00 0.00 WT1 O ATOM 20207 H1 TIP3 6869 22.760 2.797 -10.505 1.00 0.00 WT1 H ATOM 20208 H2 TIP3 6869 -27.850 -3.774 2.229 1.00 0.00 WT1 H ATOM 20209 OH2 TIP3 6870 -1.804 5.600 1.484 1.00 0.00 WT1 O ATOM 20210 H1 TIP3 6870 9.189 -16.549 -12.515 1.00 0.00 WT1 H ATOM 20211 H2 TIP3 6870 2.702 27.754 -3.711 1.00 0.00 WT1 H ATOM 20212 OH2 TIP3 6872 -6.358 0.626 4.312 1.00 0.00 WT1 O ATOM 20213 H1 TIP3 6872 -21.781 -11.432 15.784 1.00 0.00 WT1 H ATOM 20214 H2 TIP3 6872 -9.784 -0.088 14.604 1.00 0.00 WT1 H ATOM 20215 OH2 TIP3 6873 1.497 -3.956 -5.135 1.00 0.00 WT1 O ATOM 20216 H1 TIP3 6873 12.991 -10.327 10.810 1.00 0.00 WT1 H ATOM 20217 H2 TIP3 6873 9.884 17.220 -29.338 1.00 0.00 WT1 H ATOM 20218 OH2 TIP3 6874 3.389 -1.918 -7.885 1.00 0.00 WT1 O ATOM 20219 H1 TIP3 6874 13.772 2.182 -6.795 1.00 0.00 WT1 H ATOM 20220 H2 TIP3 6874 -0.570 -2.043 6.871 1.00 0.00 WT1 H ATOM 20221 OH2 TIP3 6875 -3.058 -4.229 4.052 1.00 0.00 WT1 O ATOM 20222 H1 TIP3 6875 -7.766 -16.594 12.689 1.00 0.00 WT1 H ATOM 20223 H2 TIP3 6875 -18.904 -12.147 0.390 1.00 0.00 WT1 H ATOM 20224 OH2 TIP3 6878 -3.090 1.832 -2.748 1.00 0.00 WT1 O ATOM 20225 H1 TIP3 6878 -4.422 -7.850 11.527 1.00 0.00 WT1 H ATOM 20226 H2 TIP3 6878 1.914 -8.968 -11.827 1.00 0.00 WT1 H ATOM 20227 OH2 TIP3 6879 2.164 1.078 -1.536 1.00 0.00 WT1 O ATOM 20228 H1 TIP3 6879 -1.845 11.455 3.822 1.00 0.00 WT1 H ATOM 20229 H2 TIP3 6879 8.104 4.992 -11.856 1.00 0.00 WT1 H ATOM 20230 OH2 TIP3 6880 1.914 0.403 1.425 1.00 0.00 WT1 O ATOM 20231 H1 TIP3 6880 1.957 26.856 -18.955 1.00 0.00 WT1 H ATOM 20232 H2 TIP3 6880 5.280 25.293 17.807 1.00 0.00 WT1 H ATOM 20233 OH2 TIP3 6883 -1.552 -1.347 -3.913 1.00 0.00 WT1 O ATOM 20234 H1 TIP3 6883 11.067 -0.944 12.257 1.00 0.00 WT1 H ATOM 20235 H2 TIP3 6883 -2.947 -2.743 0.796 1.00 0.00 WT1 H ATOM 20236 OH2 TIP3 6884 -5.105 -0.449 -3.114 1.00 0.00 WT1 O ATOM 20237 H1 TIP3 6884 1.973 -11.441 1.420 1.00 0.00 WT1 H ATOM 20238 H2 TIP3 6884 7.310 4.728 -7.814 1.00 0.00 WT1 H ATOM 20239 OH2 TIP3 6886 2.626 0.530 1.492 1.00 0.00 WT1 O ATOM 20240 H1 TIP3 6886 -7.944 31.120 11.119 1.00 0.00 WT1 H ATOM 20241 H2 TIP3 6886 -11.966 -36.334 -16.933 1.00 0.00 WT1 H ATOM 20242 OH2 TIP3 6887 -1.368 -3.423 2.353 1.00 0.00 WT1 O ATOM 20243 H1 TIP3 6887 8.125 -5.704 19.558 1.00 0.00 WT1 H ATOM 20244 H2 TIP3 6887 -2.737 4.644 -7.706 1.00 0.00 WT1 H ATOM 20245 OH2 TIP3 6888 2.429 3.851 2.284 1.00 0.00 WT1 O ATOM 20246 H1 TIP3 6888 1.582 2.199 5.110 1.00 0.00 WT1 H ATOM 20247 H2 TIP3 6888 14.787 10.531 -10.095 1.00 0.00 WT1 H ATOM 20248 OH2 TIP3 6889 0.602 -1.184 -2.780 1.00 0.00 WT1 O ATOM 20249 H1 TIP3 6889 -6.205 -0.589 5.506 1.00 0.00 WT1 H ATOM 20250 H2 TIP3 6889 4.581 -6.195 -5.733 1.00 0.00 WT1 H ATOM 20251 OH2 TIP3 6890 -2.910 6.310 2.586 1.00 0.00 WT1 O ATOM 20252 H1 TIP3 6890 0.012 12.422 -0.705 1.00 0.00 WT1 H ATOM 20253 H2 TIP3 6890 1.435 12.346 8.425 1.00 0.00 WT1 H ATOM 20254 OH2 TIP3 6891 5.125 -5.241 3.076 1.00 0.00 WT1 O ATOM 20255 H1 TIP3 6891 -2.162 14.704 -5.308 1.00 0.00 WT1 H ATOM 20256 H2 TIP3 6891 3.518 11.423 7.381 1.00 0.00 WT1 H ATOM 20257 OH2 TIP3 6892 -2.160 -1.865 -0.669 1.00 0.00 WT1 O ATOM 20258 H1 TIP3 6892 -15.006 -12.476 -5.678 1.00 0.00 WT1 H ATOM 20259 H2 TIP3 6892 -0.945 17.765 11.421 1.00 0.00 WT1 H ATOM 20260 OH2 TIP3 6893 -0.195 -0.562 -1.801 1.00 0.00 WT1 O ATOM 20261 H1 TIP3 6893 -4.619 8.564 -6.251 1.00 0.00 WT1 H ATOM 20262 H2 TIP3 6893 -3.384 -0.817 8.242 1.00 0.00 WT1 H ATOM 20263 OH2 TIP3 6894 0.333 -7.840 3.002 1.00 0.00 WT1 O ATOM 20264 H1 TIP3 6894 5.913 -7.739 -14.570 1.00 0.00 WT1 H ATOM 20265 H2 TIP3 6894 -10.678 -22.487 -1.618 1.00 0.00 WT1 H ATOM 20266 OH2 TIP3 6895 3.783 2.646 -1.675 1.00 0.00 WT1 O ATOM 20267 H1 TIP3 6895 -6.034 -22.645 -11.664 1.00 0.00 WT1 H ATOM 20268 H2 TIP3 6895 20.896 -6.903 17.917 1.00 0.00 WT1 H ATOM 20269 OH2 TIP3 6896 4.070 1.776 5.138 1.00 0.00 WT1 O ATOM 20270 H1 TIP3 6896 1.575 -0.955 2.255 1.00 0.00 WT1 H ATOM 20271 H2 TIP3 6896 -19.949 19.327 -29.205 1.00 0.00 WT1 H ATOM 20272 OH2 TIP3 6897 0.751 4.430 -1.636 1.00 0.00 WT1 O ATOM 20273 H1 TIP3 6897 -0.955 11.723 -3.442 1.00 0.00 WT1 H ATOM 20274 H2 TIP3 6897 1.741 9.201 -6.994 1.00 0.00 WT1 H ATOM 20275 OH2 TIP3 6898 -2.064 -3.379 -6.591 1.00 0.00 WT1 O ATOM 20276 H1 TIP3 6898 5.947 6.364 -15.532 1.00 0.00 WT1 H ATOM 20277 H2 TIP3 6898 -11.293 -11.175 5.246 1.00 0.00 WT1 H ATOM 20278 OH2 TIP3 6899 -3.809 4.240 -6.052 1.00 0.00 WT1 O ATOM 20279 H1 TIP3 6899 0.604 7.664 -10.497 1.00 0.00 WT1 H ATOM 20280 H2 TIP3 6899 -1.252 6.354 0.233 1.00 0.00 WT1 H ATOM 20281 OH2 TIP3 6900 -2.096 -3.654 -8.543 1.00 0.00 WT1 O ATOM 20282 H1 TIP3 6900 3.798 8.345 -24.318 1.00 0.00 WT1 H ATOM 20283 H2 TIP3 6900 -6.886 7.855 -2.058 1.00 0.00 WT1 H ATOM 20284 OH2 TIP3 6902 -4.019 -2.380 7.325 1.00 0.00 WT1 O ATOM 20285 H1 TIP3 6902 -4.145 -7.508 11.873 1.00 0.00 WT1 H ATOM 20286 H2 TIP3 6902 -15.950 -1.407 11.087 1.00 0.00 WT1 H ATOM 20287 OH2 TIP3 6903 3.537 8.092 -2.974 1.00 0.00 WT1 O ATOM 20288 H1 TIP3 6903 -1.017 4.255 4.574 1.00 0.00 WT1 H ATOM 20289 H2 TIP3 6903 -6.202 7.267 4.186 1.00 0.00 WT1 H ATOM 20290 OH2 TIP3 6905 -0.302 5.013 -5.592 1.00 0.00 WT1 O ATOM 20291 H1 TIP3 6905 8.057 -1.833 -2.296 1.00 0.00 WT1 H ATOM 20292 H2 TIP3 6905 -1.446 -6.642 -29.657 1.00 0.00 WT1 H ATOM 20293 OH2 TIP3 6906 4.019 4.655 -2.172 1.00 0.00 WT1 O ATOM 20294 H1 TIP3 6906 -0.884 3.030 -3.394 1.00 0.00 WT1 H ATOM 20295 H2 TIP3 6906 7.041 -0.767 -2.958 1.00 0.00 WT1 H ATOM 20296 OH2 TIP3 6907 -0.747 1.960 6.890 1.00 0.00 WT1 O ATOM 20297 H1 TIP3 6907 0.644 3.267 10.672 1.00 0.00 WT1 H ATOM 20298 H2 TIP3 6907 -0.496 1.330 8.378 1.00 0.00 WT1 H ATOM 20299 OH2 TIP3 6908 -1.295 -3.833 -8.576 1.00 0.00 WT1 O ATOM 20300 H1 TIP3 6908 -14.503 -7.780 1.634 1.00 0.00 WT1 H ATOM 20301 H2 TIP3 6908 25.049 14.824 -2.909 1.00 0.00 WT1 H ATOM 20302 OH2 TIP3 6909 -1.104 1.182 -1.784 1.00 0.00 WT1 O ATOM 20303 H1 TIP3 6909 4.366 3.869 -1.428 1.00 0.00 WT1 H ATOM 20304 H2 TIP3 6909 -3.712 -12.146 -10.837 1.00 0.00 WT1 H ATOM 20305 OH2 TIP3 6910 4.825 2.170 8.411 1.00 0.00 WT1 O ATOM 20306 H1 TIP3 6910 -7.859 -1.655 13.842 1.00 0.00 WT1 H ATOM 20307 H2 TIP3 6910 8.241 26.944 -12.162 1.00 0.00 WT1 H ATOM 20308 OH2 TIP3 6911 6.800 -2.258 -9.351 1.00 0.00 WT1 O ATOM 20309 H1 TIP3 6911 -6.652 12.505 -23.758 1.00 0.00 WT1 H ATOM 20310 H2 TIP3 6911 15.025 12.920 7.937 1.00 0.00 WT1 H ATOM 20311 OH2 TIP3 6912 -3.907 -1.227 -1.919 1.00 0.00 WT1 O ATOM 20312 H1 TIP3 6912 5.751 -17.825 -7.673 1.00 0.00 WT1 H ATOM 20313 H2 TIP3 6912 8.691 4.895 10.332 1.00 0.00 WT1 H ATOM 20314 OH2 TIP3 6913 -4.898 8.893 -5.482 1.00 0.00 WT1 O ATOM 20315 H1 TIP3 6913 -1.945 5.364 -3.672 1.00 0.00 WT1 H ATOM 20316 H2 TIP3 6913 -24.129 27.127 -19.925 1.00 0.00 WT1 H ATOM 20317 OH2 TIP3 6914 -5.564 -2.776 4.116 1.00 0.00 WT1 O ATOM 20318 H1 TIP3 6914 5.217 -14.226 8.007 1.00 0.00 WT1 H ATOM 20319 H2 TIP3 6914 2.130 10.419 4.044 1.00 0.00 WT1 H ATOM 20320 OH2 TIP3 6915 -1.803 -1.851 -2.135 1.00 0.00 WT1 O ATOM 20321 H1 TIP3 6915 8.696 -12.623 11.041 1.00 0.00 WT1 H ATOM 20322 H2 TIP3 6915 -15.261 8.329 -12.492 1.00 0.00 WT1 H ATOM 20323 OH2 TIP3 6916 0.942 1.091 5.855 1.00 0.00 WT1 O ATOM 20324 H1 TIP3 6916 0.526 -9.509 -7.715 1.00 0.00 WT1 H ATOM 20325 H2 TIP3 6916 -16.553 7.621 6.822 1.00 0.00 WT1 H ATOM 20326 OH2 TIP3 6917 -4.196 -3.706 -0.081 1.00 0.00 WT1 O ATOM 20327 H1 TIP3 6917 13.493 -24.231 1.945 1.00 0.00 WT1 H ATOM 20328 H2 TIP3 6917 -30.570 15.132 25.836 1.00 0.00 WT1 H ATOM 20329 OH2 TIP3 6919 -1.009 -1.024 -1.767 1.00 0.00 WT1 O ATOM 20330 H1 TIP3 6919 -8.422 5.509 -4.440 1.00 0.00 WT1 H ATOM 20331 H2 TIP3 6919 9.381 3.090 3.605 1.00 0.00 WT1 H ATOM 20332 OH2 TIP3 6920 6.199 1.780 -3.097 1.00 0.00 WT1 O ATOM 20333 H1 TIP3 6920 14.160 -21.441 -3.556 1.00 0.00 WT1 H ATOM 20334 H2 TIP3 6920 7.147 -1.792 -3.135 1.00 0.00 WT1 H ATOM 20335 OH2 TIP3 6921 3.974 0.632 3.400 1.00 0.00 WT1 O ATOM 20336 H1 TIP3 6921 8.759 -0.583 -12.186 1.00 0.00 WT1 H ATOM 20337 H2 TIP3 6921 2.680 -14.269 13.135 1.00 0.00 WT1 H ATOM 20338 OH2 TIP3 6922 7.158 -4.808 -3.479 1.00 0.00 WT1 O ATOM 20339 H1 TIP3 6922 9.509 2.651 1.086 1.00 0.00 WT1 H ATOM 20340 H2 TIP3 6922 9.453 -0.164 -0.041 1.00 0.00 WT1 H ATOM 20341 OH2 TIP3 6923 3.601 -5.511 -1.837 1.00 0.00 WT1 O ATOM 20342 H1 TIP3 6923 3.178 -8.740 12.091 1.00 0.00 WT1 H ATOM 20343 H2 TIP3 6923 -18.172 21.223 24.013 1.00 0.00 WT1 H ATOM 20344 OH2 TIP3 6924 -2.193 2.065 0.367 1.00 0.00 WT1 O ATOM 20345 H1 TIP3 6924 -18.167 11.765 4.486 1.00 0.00 WT1 H ATOM 20346 H2 TIP3 6924 3.573 -9.034 -0.792 1.00 0.00 WT1 H ATOM 20347 OH2 TIP3 6925 -3.029 -3.784 3.406 1.00 0.00 WT1 O ATOM 20348 H1 TIP3 6925 -6.414 16.023 26.830 1.00 0.00 WT1 H ATOM 20349 H2 TIP3 6925 9.620 14.014 -15.721 1.00 0.00 WT1 H ATOM 20350 OH2 TIP3 6927 -9.730 2.834 2.609 1.00 0.00 WT1 O ATOM 20351 H1 TIP3 6927 -1.502 3.013 12.622 1.00 0.00 WT1 H ATOM 20352 H2 TIP3 6927 -16.065 3.807 -9.753 1.00 0.00 WT1 H ATOM 20353 OH2 TIP3 6928 5.336 -2.869 -1.316 1.00 0.00 WT1 O ATOM 20354 H1 TIP3 6928 2.695 -4.625 7.634 1.00 0.00 WT1 H ATOM 20355 H2 TIP3 6928 6.758 -8.011 -14.619 1.00 0.00 WT1 H ATOM 20356 OH2 TIP3 6929 -4.046 -1.963 8.146 1.00 0.00 WT1 O ATOM 20357 H1 TIP3 6929 -2.226 -9.107 18.235 1.00 0.00 WT1 H ATOM 20358 H2 TIP3 6929 -8.256 -7.707 16.384 1.00 0.00 WT1 H ATOM 20359 OH2 TIP3 6930 0.638 -0.746 0.503 1.00 0.00 WT1 O ATOM 20360 H1 TIP3 6930 -17.709 12.560 22.982 1.00 0.00 WT1 H ATOM 20361 H2 TIP3 6930 16.631 -13.537 -27.860 1.00 0.00 WT1 H ATOM 20362 OH2 TIP3 6931 -0.651 -0.641 1.032 1.00 0.00 WT1 O ATOM 20363 H1 TIP3 6931 -19.886 4.234 -6.617 1.00 0.00 WT1 H ATOM 20364 H2 TIP3 6931 4.496 -1.419 3.295 1.00 0.00 WT1 H ATOM 20365 OH2 TIP3 6932 2.963 -4.080 -3.507 1.00 0.00 WT1 O ATOM 20366 H1 TIP3 6932 -1.165 0.046 4.065 1.00 0.00 WT1 H ATOM 20367 H2 TIP3 6932 -10.014 9.715 24.311 1.00 0.00 WT1 H ATOM 20368 OH2 TIP3 6933 1.920 -2.364 -1.153 1.00 0.00 WT1 O ATOM 20369 H1 TIP3 6933 12.987 -10.314 -3.273 1.00 0.00 WT1 H ATOM 20370 H2 TIP3 6933 -8.521 -9.139 -5.715 1.00 0.00 WT1 H ATOM 20371 OH2 TIP3 6934 -1.170 4.991 -6.946 1.00 0.00 WT1 O ATOM 20372 H1 TIP3 6934 16.326 7.269 4.444 1.00 0.00 WT1 H ATOM 20373 H2 TIP3 6934 -10.155 6.347 -0.710 1.00 0.00 WT1 H ATOM 20374 OH2 TIP3 6935 -1.652 0.694 -0.348 1.00 0.00 WT1 O ATOM 20375 H1 TIP3 6935 -9.468 10.446 4.856 1.00 0.00 WT1 H ATOM 20376 H2 TIP3 6935 -3.357 5.350 13.872 1.00 0.00 WT1 H ATOM 20377 OH2 TIP3 6936 0.534 2.382 6.929 1.00 0.00 WT1 O ATOM 20378 H1 TIP3 6936 12.854 24.198 -9.766 1.00 0.00 WT1 H ATOM 20379 H2 TIP3 6936 -5.475 3.145 0.002 1.00 0.00 WT1 H ATOM 20380 OH2 TIP3 6937 -2.577 1.071 2.835 1.00 0.00 WT1 O ATOM 20381 H1 TIP3 6937 9.711 -11.348 18.994 1.00 0.00 WT1 H ATOM 20382 H2 TIP3 6937 -1.645 5.917 -0.182 1.00 0.00 WT1 H ATOM 20383 OH2 TIP3 6938 0.898 -0.202 5.398 1.00 0.00 WT1 O ATOM 20384 H1 TIP3 6938 4.580 -4.290 -6.879 1.00 0.00 WT1 H ATOM 20385 H2 TIP3 6938 1.748 -14.578 8.512 1.00 0.00 WT1 H ATOM 20386 OH2 TIP3 6940 -9.477 -3.524 -0.186 1.00 0.00 WT1 O ATOM 20387 H1 TIP3 6940 6.148 -20.389 -14.286 1.00 0.00 WT1 H ATOM 20388 H2 TIP3 6940 21.992 -9.151 -14.055 1.00 0.00 WT1 H ATOM 20389 OH2 TIP3 6941 0.318 -2.327 -0.323 1.00 0.00 WT1 O ATOM 20390 H1 TIP3 6941 6.961 17.526 9.315 1.00 0.00 WT1 H ATOM 20391 H2 TIP3 6941 0.992 6.508 -2.317 1.00 0.00 WT1 H ATOM 20392 OH2 TIP3 6943 1.469 -1.038 -0.767 1.00 0.00 WT1 O ATOM 20393 H1 TIP3 6943 -14.397 1.537 38.945 1.00 0.00 WT1 H ATOM 20394 H2 TIP3 6943 0.710 -11.657 15.520 1.00 0.00 WT1 H ATOM 20395 OH2 TIP3 6944 -5.167 1.727 -3.877 1.00 0.00 WT1 O ATOM 20396 H1 TIP3 6944 12.048 7.252 -3.113 1.00 0.00 WT1 H ATOM 20397 H2 TIP3 6944 -5.468 -2.367 5.604 1.00 0.00 WT1 H ATOM 20398 OH2 TIP3 6945 2.489 4.547 1.878 1.00 0.00 WT1 O ATOM 20399 H1 TIP3 6945 2.481 4.674 1.472 1.00 0.00 WT1 H ATOM 20400 H2 TIP3 6945 4.610 3.615 0.284 1.00 0.00 WT1 H ATOM 20401 OH2 TIP3 6946 -0.421 -7.015 -0.474 1.00 0.00 WT1 O ATOM 20402 H1 TIP3 6946 26.274 -13.590 1.449 1.00 0.00 WT1 H ATOM 20403 H2 TIP3 6946 -6.690 -11.507 -2.490 1.00 0.00 WT1 H ATOM 20404 OH2 TIP3 6947 -0.866 0.032 -1.326 1.00 0.00 WT1 O ATOM 20405 H1 TIP3 6947 0.450 7.844 -5.968 1.00 0.00 WT1 H ATOM 20406 H2 TIP3 6947 5.191 9.801 -8.177 1.00 0.00 WT1 H ATOM 20407 OH2 TIP3 6949 -0.479 3.096 -2.553 1.00 0.00 WT1 O ATOM 20408 H1 TIP3 6949 5.857 0.359 -4.861 1.00 0.00 WT1 H ATOM 20409 H2 TIP3 6949 -7.153 9.869 -12.628 1.00 0.00 WT1 H ATOM 20410 OH2 TIP3 6950 5.189 -0.033 6.117 1.00 0.00 WT1 O ATOM 20411 H1 TIP3 6950 -3.871 -11.177 30.219 1.00 0.00 WT1 H ATOM 20412 H2 TIP3 6950 7.936 13.786 -15.770 1.00 0.00 WT1 H ATOM 20413 OH2 TIP3 6951 -1.918 2.079 4.190 1.00 0.00 WT1 O ATOM 20414 H1 TIP3 6951 13.025 4.744 4.477 1.00 0.00 WT1 H ATOM 20415 H2 TIP3 6951 27.122 -7.160 8.706 1.00 0.00 WT1 H ATOM 20416 OH2 TIP3 6952 -4.880 -4.430 -0.312 1.00 0.00 WT1 O ATOM 20417 H1 TIP3 6952 7.875 -3.012 0.330 1.00 0.00 WT1 H ATOM 20418 H2 TIP3 6952 -6.390 -5.392 -2.176 1.00 0.00 WT1 H ATOM 20419 OH2 TIP3 6953 1.710 -1.668 -8.085 1.00 0.00 WT1 O ATOM 20420 H1 TIP3 6953 -3.100 8.124 -11.693 1.00 0.00 WT1 H ATOM 20421 H2 TIP3 6953 7.005 -23.007 -10.850 1.00 0.00 WT1 H ATOM 20422 OH2 TIP3 6954 2.503 -0.525 2.544 1.00 0.00 WT1 O ATOM 20423 H1 TIP3 6954 0.416 9.722 7.062 1.00 0.00 WT1 H ATOM 20424 H2 TIP3 6954 8.997 -24.886 -12.370 1.00 0.00 WT1 H ATOM 20425 OH2 TIP3 6955 -0.514 4.564 1.565 1.00 0.00 WT1 O ATOM 20426 H1 TIP3 6955 -1.676 -21.419 7.016 1.00 0.00 WT1 H ATOM 20427 H2 TIP3 6955 -10.653 -11.803 -20.876 1.00 0.00 WT1 H ATOM 20428 OH2 TIP3 6957 1.585 -5.649 -3.794 1.00 0.00 WT1 O ATOM 20429 H1 TIP3 6957 -12.527 -7.020 -4.023 1.00 0.00 WT1 H ATOM 20430 H2 TIP3 6957 12.723 -0.485 -6.138 1.00 0.00 WT1 H ATOM 20431 OH2 TIP3 6958 0.811 -5.988 0.794 1.00 0.00 WT1 O ATOM 20432 H1 TIP3 6958 11.564 -22.300 3.637 1.00 0.00 WT1 H ATOM 20433 H2 TIP3 6958 12.505 -5.469 4.351 1.00 0.00 WT1 H ATOM 20434 OH2 TIP3 6959 -1.640 -2.261 4.843 1.00 0.00 WT1 O ATOM 20435 H1 TIP3 6959 20.455 1.459 16.816 1.00 0.00 WT1 H ATOM 20436 H2 TIP3 6959 -0.395 -2.234 8.131 1.00 0.00 WT1 H ATOM 20437 OH2 TIP3 6963 5.181 -2.384 -4.058 1.00 0.00 WT1 O ATOM 20438 H1 TIP3 6963 -0.232 -6.028 -5.884 1.00 0.00 WT1 H ATOM 20439 H2 TIP3 6963 -0.359 -1.145 10.582 1.00 0.00 WT1 H ATOM 20440 OH2 TIP3 6964 0.057 -0.860 -3.404 1.00 0.00 WT1 O ATOM 20441 H1 TIP3 6964 -2.380 1.715 -16.907 1.00 0.00 WT1 H ATOM 20442 H2 TIP3 6964 -8.874 4.820 -16.653 1.00 0.00 WT1 H ATOM 20443 OH2 TIP3 6965 2.453 -3.169 -4.652 1.00 0.00 WT1 O ATOM 20444 H1 TIP3 6965 10.697 5.267 -6.061 1.00 0.00 WT1 H ATOM 20445 H2 TIP3 6965 2.660 -7.132 3.417 1.00 0.00 WT1 H ATOM 20446 OH2 TIP3 6967 4.627 0.323 0.670 1.00 0.00 WT1 O ATOM 20447 H1 TIP3 6967 -18.554 18.789 -12.387 1.00 0.00 WT1 H ATOM 20448 H2 TIP3 6967 16.500 -4.953 7.734 1.00 0.00 WT1 H ATOM 20449 OH2 TIP3 6968 0.974 -2.350 -1.131 1.00 0.00 WT1 O ATOM 20450 H1 TIP3 6968 -15.061 -19.608 -0.020 1.00 0.00 WT1 H ATOM 20451 H2 TIP3 6968 10.785 -8.837 -19.612 1.00 0.00 WT1 H ATOM 20452 OH2 TIP3 6969 -6.050 3.959 1.488 1.00 0.00 WT1 O ATOM 20453 H1 TIP3 6969 5.580 0.041 -1.409 1.00 0.00 WT1 H ATOM 20454 H2 TIP3 6969 1.717 -10.443 -12.051 1.00 0.00 WT1 H ATOM 20455 OH2 TIP3 6970 1.079 1.202 -0.986 1.00 0.00 WT1 O ATOM 20456 H1 TIP3 6970 3.006 12.581 -7.317 1.00 0.00 WT1 H ATOM 20457 H2 TIP3 6970 14.403 -0.306 1.749 1.00 0.00 WT1 H ATOM 20458 OH2 TIP3 6971 3.617 -0.884 0.474 1.00 0.00 WT1 O ATOM 20459 H1 TIP3 6971 12.482 -7.573 -13.852 1.00 0.00 WT1 H ATOM 20460 H2 TIP3 6971 -18.373 13.470 17.467 1.00 0.00 WT1 H ATOM 20461 OH2 TIP3 6972 4.142 3.525 8.099 1.00 0.00 WT1 O ATOM 20462 H1 TIP3 6972 -4.179 3.752 2.394 1.00 0.00 WT1 H ATOM 20463 H2 TIP3 6972 8.548 7.653 -0.662 1.00 0.00 WT1 H ATOM 20464 OH2 TIP3 6973 1.870 4.518 6.561 1.00 0.00 WT1 O ATOM 20465 H1 TIP3 6973 -6.913 4.539 14.629 1.00 0.00 WT1 H ATOM 20466 H2 TIP3 6973 12.533 -11.117 10.191 1.00 0.00 WT1 H ATOM 20467 OH2 TIP3 6974 -0.829 3.543 -1.663 1.00 0.00 WT1 O ATOM 20468 H1 TIP3 6974 -4.538 14.348 -13.307 1.00 0.00 WT1 H ATOM 20469 H2 TIP3 6974 -5.632 3.811 17.529 1.00 0.00 WT1 H ATOM 20470 OH2 TIP3 6975 0.284 -5.763 -1.773 1.00 0.00 WT1 O ATOM 20471 H1 TIP3 6975 0.028 12.136 13.987 1.00 0.00 WT1 H ATOM 20472 H2 TIP3 6975 -0.288 -7.301 0.927 1.00 0.00 WT1 H ATOM 20473 OH2 TIP3 6976 -0.088 -1.646 2.367 1.00 0.00 WT1 O ATOM 20474 H1 TIP3 6976 1.048 -4.127 26.592 1.00 0.00 WT1 H ATOM 20475 H2 TIP3 6976 6.289 -19.460 10.190 1.00 0.00 WT1 H ATOM 20476 OH2 TIP3 6977 -3.693 1.731 -1.656 1.00 0.00 WT1 O ATOM 20477 H1 TIP3 6977 -15.404 -5.854 3.743 1.00 0.00 WT1 H ATOM 20478 H2 TIP3 6977 13.103 9.639 3.204 1.00 0.00 WT1 H ATOM 20479 OH2 TIP3 6978 2.400 -2.135 -2.214 1.00 0.00 WT1 O ATOM 20480 H1 TIP3 6978 -9.138 -24.430 18.119 1.00 0.00 WT1 H ATOM 20481 H2 TIP3 6978 3.299 -2.874 11.833 1.00 0.00 WT1 H ATOM 20482 OH2 TIP3 6979 0.438 -3.896 -3.469 1.00 0.00 WT1 O ATOM 20483 H1 TIP3 6979 -16.564 -5.281 9.311 1.00 0.00 WT1 H ATOM 20484 H2 TIP3 6979 -5.700 3.881 -7.351 1.00 0.00 WT1 H ATOM 20485 OH2 TIP3 6980 3.455 2.561 -2.451 1.00 0.00 WT1 O ATOM 20486 H1 TIP3 6980 -22.805 12.360 -3.535 1.00 0.00 WT1 H ATOM 20487 H2 TIP3 6980 14.155 -12.024 -10.814 1.00 0.00 WT1 H ATOM 20488 OH2 TIP3 6983 2.822 -3.571 3.446 1.00 0.00 WT1 O ATOM 20489 H1 TIP3 6983 -8.593 1.507 -10.587 1.00 0.00 WT1 H ATOM 20490 H2 TIP3 6983 10.346 -7.430 10.009 1.00 0.00 WT1 H ATOM 20491 OH2 TIP3 6985 -2.070 5.158 6.171 1.00 0.00 WT1 O ATOM 20492 H1 TIP3 6985 -2.829 8.013 6.582 1.00 0.00 WT1 H ATOM 20493 H2 TIP3 6985 -3.906 17.393 -18.820 1.00 0.00 WT1 H ATOM 20494 OH2 TIP3 6987 -1.052 0.308 5.541 1.00 0.00 WT1 O ATOM 20495 H1 TIP3 6987 -11.109 18.571 16.091 1.00 0.00 WT1 H ATOM 20496 H2 TIP3 6987 4.870 -10.751 -0.888 1.00 0.00 WT1 H ATOM 20497 OH2 TIP3 6988 8.548 -0.390 0.931 1.00 0.00 WT1 O ATOM 20498 H1 TIP3 6988 8.230 -8.345 3.435 1.00 0.00 WT1 H ATOM 20499 H2 TIP3 6988 5.112 -23.813 11.205 1.00 0.00 WT1 H ATOM 20500 OH2 TIP3 6989 4.554 3.390 3.377 1.00 0.00 WT1 O ATOM 20501 H1 TIP3 6989 -10.104 -4.270 13.175 1.00 0.00 WT1 H ATOM 20502 H2 TIP3 6989 -4.687 8.628 -9.578 1.00 0.00 WT1 H ATOM 20503 OH2 TIP3 6991 2.213 5.014 -0.465 1.00 0.00 WT1 O ATOM 20504 H1 TIP3 6991 -5.641 0.627 -6.976 1.00 0.00 WT1 H ATOM 20505 H2 TIP3 6991 4.076 5.079 -2.847 1.00 0.00 WT1 H ATOM 20506 OH2 TIP3 6992 -0.098 0.630 1.349 1.00 0.00 WT1 O ATOM 20507 H1 TIP3 6992 -4.215 7.522 -7.903 1.00 0.00 WT1 H ATOM 20508 H2 TIP3 6992 13.876 -10.713 16.104 1.00 0.00 WT1 H ATOM 20509 OH2 TIP3 6993 3.238 -0.383 2.088 1.00 0.00 WT1 O ATOM 20510 H1 TIP3 6993 -5.091 -16.286 21.066 1.00 0.00 WT1 H ATOM 20511 H2 TIP3 6993 9.892 10.662 -27.401 1.00 0.00 WT1 H ATOM 20512 OH2 TIP3 6994 2.924 8.737 1.110 1.00 0.00 WT1 O ATOM 20513 H1 TIP3 6994 -12.626 -8.690 -24.538 1.00 0.00 WT1 H ATOM 20514 H2 TIP3 6994 3.774 6.242 1.007 1.00 0.00 WT1 H ATOM 20515 OH2 TIP3 6995 -5.765 3.844 6.289 1.00 0.00 WT1 O ATOM 20516 H1 TIP3 6995 18.651 -24.312 -8.127 1.00 0.00 WT1 H ATOM 20517 H2 TIP3 6995 1.365 -4.496 5.005 1.00 0.00 WT1 H ATOM 20518 OH2 TIP3 6997 2.142 0.718 3.296 1.00 0.00 WT1 O ATOM 20519 H1 TIP3 6997 20.721 -20.945 2.280 1.00 0.00 WT1 H ATOM 20520 H2 TIP3 6997 3.937 3.199 3.502 1.00 0.00 WT1 H ATOM 20521 OH2 TIP3 6998 -0.034 6.494 -1.652 1.00 0.00 WT1 O ATOM 20522 H1 TIP3 6998 -4.915 -6.925 16.140 1.00 0.00 WT1 H ATOM 20523 H2 TIP3 6998 -3.577 3.628 1.625 1.00 0.00 WT1 H ATOM 20524 OH2 TIP3 6999 2.776 2.291 -2.875 1.00 0.00 WT1 O ATOM 20525 H1 TIP3 6999 13.679 -2.082 -3.201 1.00 0.00 WT1 H ATOM 20526 H2 TIP3 6999 -21.406 12.442 -0.783 1.00 0.00 WT1 H ATOM 20527 OH2 TIP3 7000 -5.485 5.587 -3.664 1.00 0.00 WT1 O ATOM 20528 H1 TIP3 7000 -4.039 23.503 -8.591 1.00 0.00 WT1 H ATOM 20529 H2 TIP3 7000 -4.454 17.219 -6.907 1.00 0.00 WT1 H ATOM 20530 OH2 TIP3 7001 -9.834 2.925 -1.187 1.00 0.00 WT1 O ATOM 20531 H1 TIP3 7001 0.194 9.077 2.930 1.00 0.00 WT1 H ATOM 20532 H2 TIP3 7001 -6.979 7.839 -2.190 1.00 0.00 WT1 H ATOM 20533 OH2 TIP3 7002 7.253 -5.196 -0.200 1.00 0.00 WT1 O ATOM 20534 H1 TIP3 7002 -1.007 -4.959 -15.507 1.00 0.00 WT1 H ATOM 20535 H2 TIP3 7002 17.974 1.800 0.367 1.00 0.00 WT1 H ATOM 20536 OH2 TIP3 7003 -3.155 2.936 1.633 1.00 0.00 WT1 O ATOM 20537 H1 TIP3 7003 -3.979 2.548 -1.839 1.00 0.00 WT1 H ATOM 20538 H2 TIP3 7003 0.093 3.598 4.661 1.00 0.00 WT1 H ATOM 20539 OH2 TIP3 7004 -3.925 -3.961 -2.080 1.00 0.00 WT1 O ATOM 20540 H1 TIP3 7004 -8.392 6.888 1.248 1.00 0.00 WT1 H ATOM 20541 H2 TIP3 7004 -0.589 -9.180 18.421 1.00 0.00 WT1 H ATOM 20542 OH2 TIP3 7005 4.027 -1.538 -3.055 1.00 0.00 WT1 O ATOM 20543 H1 TIP3 7005 -2.222 6.022 -33.860 1.00 0.00 WT1 H ATOM 20544 H2 TIP3 7005 7.744 -1.920 15.515 1.00 0.00 WT1 H ATOM 20545 OH2 TIP3 7006 -4.784 -2.215 -2.145 1.00 0.00 WT1 O ATOM 20546 H1 TIP3 7006 -2.053 -15.584 -12.467 1.00 0.00 WT1 H ATOM 20547 H2 TIP3 7006 3.894 -9.370 14.193 1.00 0.00 WT1 H ATOM 20548 OH2 TIP3 7007 -5.696 -5.126 -6.979 1.00 0.00 WT1 O ATOM 20549 H1 TIP3 7007 -3.153 -10.115 0.888 1.00 0.00 WT1 H ATOM 20550 H2 TIP3 7007 -12.059 -13.123 -8.788 1.00 0.00 WT1 H ATOM 20551 OH2 TIP3 7008 -3.845 -0.629 -6.766 1.00 0.00 WT1 O ATOM 20552 H1 TIP3 7008 -19.517 -24.796 -0.289 1.00 0.00 WT1 H ATOM 20553 H2 TIP3 7008 2.199 26.761 -7.033 1.00 0.00 WT1 H ATOM 20554 OH2 TIP3 7009 7.011 1.322 0.287 1.00 0.00 WT1 O ATOM 20555 H1 TIP3 7009 3.765 25.715 -9.216 1.00 0.00 WT1 H ATOM 20556 H2 TIP3 7009 27.180 5.177 13.443 1.00 0.00 WT1 H ATOM 20557 OH2 TIP3 7010 -2.458 5.878 0.040 1.00 0.00 WT1 O ATOM 20558 H1 TIP3 7010 3.707 -24.714 5.867 1.00 0.00 WT1 H ATOM 20559 H2 TIP3 7010 23.851 14.867 12.873 1.00 0.00 WT1 H ATOM 20560 OH2 TIP3 7011 0.044 3.754 -0.032 1.00 0.00 WT1 O ATOM 20561 H1 TIP3 7011 -0.241 -1.282 3.233 1.00 0.00 WT1 H ATOM 20562 H2 TIP3 7011 -7.949 15.634 -13.803 1.00 0.00 WT1 H ATOM 20563 OH2 TIP3 7012 -9.446 -0.836 1.998 1.00 0.00 WT1 O ATOM 20564 H1 TIP3 7012 -5.252 18.174 25.946 1.00 0.00 WT1 H ATOM 20565 H2 TIP3 7012 -14.942 -18.157 -21.257 1.00 0.00 WT1 H ATOM 20566 OH2 TIP3 7013 2.426 3.364 4.364 1.00 0.00 WT1 O ATOM 20567 H1 TIP3 7013 -10.620 23.825 -17.339 1.00 0.00 WT1 H ATOM 20568 H2 TIP3 7013 17.843 15.529 10.049 1.00 0.00 WT1 H ATOM 20569 OH2 TIP3 7014 8.455 7.246 -5.691 1.00 0.00 WT1 O ATOM 20570 H1 TIP3 7014 24.566 -15.726 2.918 1.00 0.00 WT1 H ATOM 20571 H2 TIP3 7014 -17.580 7.735 -29.743 1.00 0.00 WT1 H ATOM 20572 OH2 TIP3 7015 -0.178 3.765 0.623 1.00 0.00 WT1 O ATOM 20573 H1 TIP3 7015 -6.282 6.212 9.889 1.00 0.00 WT1 H ATOM 20574 H2 TIP3 7015 -5.312 3.565 -3.047 1.00 0.00 WT1 H ATOM 20575 OH2 TIP3 7016 7.931 2.452 0.287 1.00 0.00 WT1 O ATOM 20576 H1 TIP3 7016 19.604 -2.603 1.386 1.00 0.00 WT1 H ATOM 20577 H2 TIP3 7016 -1.828 19.173 -8.314 1.00 0.00 WT1 H ATOM 20578 OH2 TIP3 7017 -5.224 2.401 -2.878 1.00 0.00 WT1 O ATOM 20579 H1 TIP3 7017 -3.351 2.757 -3.571 1.00 0.00 WT1 H ATOM 20580 H2 TIP3 7017 -18.413 -3.252 1.561 1.00 0.00 WT1 H ATOM 20581 OH2 TIP3 7018 2.547 -2.462 1.213 1.00 0.00 WT1 O ATOM 20582 H1 TIP3 7018 14.394 1.039 13.309 1.00 0.00 WT1 H ATOM 20583 H2 TIP3 7018 -8.896 -10.717 8.006 1.00 0.00 WT1 H ATOM 20584 OH2 TIP3 7019 1.895 3.783 5.502 1.00 0.00 WT1 O ATOM 20585 H1 TIP3 7019 5.049 2.366 -3.254 1.00 0.00 WT1 H ATOM 20586 H2 TIP3 7019 16.256 -2.227 -26.773 1.00 0.00 WT1 H ATOM 20587 OH2 TIP3 7020 -1.392 0.804 5.362 1.00 0.00 WT1 O ATOM 20588 H1 TIP3 7020 10.548 12.303 -8.439 1.00 0.00 WT1 H ATOM 20589 H2 TIP3 7020 -1.480 -9.580 14.205 1.00 0.00 WT1 H ATOM 20590 OH2 TIP3 7021 -3.352 -3.490 -6.344 1.00 0.00 WT1 O ATOM 20591 H1 TIP3 7021 -2.226 -17.630 12.186 1.00 0.00 WT1 H ATOM 20592 H2 TIP3 7021 -3.782 2.990 1.845 1.00 0.00 WT1 H ATOM 20593 OH2 TIP3 7023 -0.471 -3.670 -1.616 1.00 0.00 WT1 O ATOM 20594 H1 TIP3 7023 30.564 3.568 -3.938 1.00 0.00 WT1 H ATOM 20595 H2 TIP3 7023 -12.655 -5.450 0.147 1.00 0.00 WT1 H ATOM 20596 OH2 TIP3 7024 -1.078 1.675 -2.164 1.00 0.00 WT1 O ATOM 20597 H1 TIP3 7024 11.844 7.294 -10.575 1.00 0.00 WT1 H ATOM 20598 H2 TIP3 7024 -3.716 4.530 -10.865 1.00 0.00 WT1 H ATOM 20599 OH2 TIP3 7025 2.753 3.125 -4.587 1.00 0.00 WT1 O ATOM 20600 H1 TIP3 7025 -8.165 -6.277 -1.564 1.00 0.00 WT1 H ATOM 20601 H2 TIP3 7025 25.350 -11.161 -5.290 1.00 0.00 WT1 H ATOM 20602 OH2 TIP3 7026 2.741 5.262 2.882 1.00 0.00 WT1 O ATOM 20603 H1 TIP3 7026 0.363 13.792 10.246 1.00 0.00 WT1 H ATOM 20604 H2 TIP3 7026 16.712 -11.105 7.977 1.00 0.00 WT1 H ATOM 20605 OH2 TIP3 7027 -0.833 1.700 -5.059 1.00 0.00 WT1 O ATOM 20606 H1 TIP3 7027 21.632 16.135 35.244 1.00 0.00 WT1 H ATOM 20607 H2 TIP3 7027 2.142 2.295 -11.016 1.00 0.00 WT1 H ATOM 20608 OH2 TIP3 7028 5.445 -1.308 -4.266 1.00 0.00 WT1 O ATOM 20609 H1 TIP3 7028 -2.160 18.136 -17.010 1.00 0.00 WT1 H ATOM 20610 H2 TIP3 7028 -26.910 -20.605 -13.380 1.00 0.00 WT1 H ATOM 20611 OH2 TIP3 7029 4.757 -4.198 1.336 1.00 0.00 WT1 O ATOM 20612 H1 TIP3 7029 5.129 -7.570 -2.809 1.00 0.00 WT1 H ATOM 20613 H2 TIP3 7029 8.171 -8.700 -6.662 1.00 0.00 WT1 H ATOM 20614 OH2 TIP3 7030 4.504 -1.711 0.556 1.00 0.00 WT1 O ATOM 20615 H1 TIP3 7030 4.615 26.101 -7.394 1.00 0.00 WT1 H ATOM 20616 H2 TIP3 7030 16.317 -8.171 12.647 1.00 0.00 WT1 H ATOM 20617 OH2 TIP3 7031 -10.307 1.428 -4.713 1.00 0.00 WT1 O ATOM 20618 H1 TIP3 7031 6.859 2.166 16.724 1.00 0.00 WT1 H ATOM 20619 H2 TIP3 7031 -34.265 10.574 6.923 1.00 0.00 WT1 H ATOM 20620 OH2 TIP3 7033 1.643 -6.601 -4.606 1.00 0.00 WT1 O ATOM 20621 H1 TIP3 7033 12.557 -0.026 -14.678 1.00 0.00 WT1 H ATOM 20622 H2 TIP3 7033 11.452 14.171 -1.030 1.00 0.00 WT1 H ATOM 20623 OH2 TIP3 7034 -4.844 0.596 3.040 1.00 0.00 WT1 O ATOM 20624 H1 TIP3 7034 9.864 -4.016 2.415 1.00 0.00 WT1 H ATOM 20625 H2 TIP3 7034 4.891 -1.615 7.283 1.00 0.00 WT1 H ATOM 20626 OH2 TIP3 7036 5.372 6.499 -4.095 1.00 0.00 WT1 O ATOM 20627 H1 TIP3 7036 16.512 -16.559 -6.303 1.00 0.00 WT1 H ATOM 20628 H2 TIP3 7036 11.122 29.992 22.112 1.00 0.00 WT1 H ATOM 20629 OH2 TIP3 7037 2.263 -0.573 2.032 1.00 0.00 WT1 O ATOM 20630 H1 TIP3 7037 11.021 -13.145 -12.029 1.00 0.00 WT1 H ATOM 20631 H2 TIP3 7037 -20.533 -2.769 -1.551 1.00 0.00 WT1 H ATOM 20632 OH2 TIP3 7038 2.603 -1.411 -2.574 1.00 0.00 WT1 O ATOM 20633 H1 TIP3 7038 -9.476 -4.044 -13.148 1.00 0.00 WT1 H ATOM 20634 H2 TIP3 7038 9.927 -29.314 16.636 1.00 0.00 WT1 H ATOM 20635 OH2 TIP3 7039 6.135 2.652 0.455 1.00 0.00 WT1 O ATOM 20636 H1 TIP3 7039 20.189 -14.638 24.378 1.00 0.00 WT1 H ATOM 20637 H2 TIP3 7039 4.458 12.213 -17.987 1.00 0.00 WT1 H ATOM 20638 OH2 TIP3 7040 -0.209 2.283 -2.807 1.00 0.00 WT1 O ATOM 20639 H1 TIP3 7040 -13.996 20.504 30.376 1.00 0.00 WT1 H ATOM 20640 H2 TIP3 7040 -4.681 -5.676 -16.808 1.00 0.00 WT1 H ATOM 20641 OH2 TIP3 7041 -6.103 -1.915 2.720 1.00 0.00 WT1 O ATOM 20642 H1 TIP3 7041 3.934 12.284 5.077 1.00 0.00 WT1 H ATOM 20643 H2 TIP3 7041 0.776 5.679 -11.076 1.00 0.00 WT1 H ATOM 20644 OH2 TIP3 7042 3.985 0.159 -0.837 1.00 0.00 WT1 O ATOM 20645 H1 TIP3 7042 10.854 -5.873 -14.842 1.00 0.00 WT1 H ATOM 20646 H2 TIP3 7042 -21.726 3.382 -4.417 1.00 0.00 WT1 H ATOM 20647 OH2 TIP3 7043 -1.814 -0.246 -1.326 1.00 0.00 WT1 O ATOM 20648 H1 TIP3 7043 -15.807 -21.299 -7.843 1.00 0.00 WT1 H ATOM 20649 H2 TIP3 7043 -19.985 10.989 23.276 1.00 0.00 WT1 H ATOM 20650 OH2 TIP3 7044 -2.422 0.002 0.100 1.00 0.00 WT1 O ATOM 20651 H1 TIP3 7044 12.482 0.084 4.619 1.00 0.00 WT1 H ATOM 20652 H2 TIP3 7044 -10.759 -2.502 13.475 1.00 0.00 WT1 H ATOM 20653 OH2 TIP3 7045 -2.897 -0.159 1.086 1.00 0.00 WT1 O ATOM 20654 H1 TIP3 7045 -8.180 -8.063 -0.378 1.00 0.00 WT1 H ATOM 20655 H2 TIP3 7045 -8.619 -11.359 -3.794 1.00 0.00 WT1 H ATOM 20656 OH2 TIP3 7046 0.988 -2.543 -2.935 1.00 0.00 WT1 O ATOM 20657 H1 TIP3 7046 -3.771 17.545 -0.166 1.00 0.00 WT1 H ATOM 20658 H2 TIP3 7046 4.389 -17.509 -3.919 1.00 0.00 WT1 H ATOM 20659 OH2 TIP3 7047 2.365 8.244 0.408 1.00 0.00 WT1 O ATOM 20660 H1 TIP3 7047 2.626 7.180 -12.671 1.00 0.00 WT1 H ATOM 20661 H2 TIP3 7047 -0.947 -5.740 10.164 1.00 0.00 WT1 H ATOM 20662 OH2 TIP3 7048 0.639 4.584 -5.037 1.00 0.00 WT1 O ATOM 20663 H1 TIP3 7048 19.292 -19.565 -13.734 1.00 0.00 WT1 H ATOM 20664 H2 TIP3 7048 -19.251 -33.761 -12.913 1.00 0.00 WT1 H ATOM 20665 OH2 TIP3 7049 0.263 0.109 -0.130 1.00 0.00 WT1 O ATOM 20666 H1 TIP3 7049 -10.740 -0.488 -5.220 1.00 0.00 WT1 H ATOM 20667 H2 TIP3 7049 -17.897 8.263 3.945 1.00 0.00 WT1 H ATOM 20668 OH2 TIP3 7050 -1.294 -7.120 3.296 1.00 0.00 WT1 O ATOM 20669 H1 TIP3 7050 18.450 6.857 -1.408 1.00 0.00 WT1 H ATOM 20670 H2 TIP3 7050 -3.508 -4.318 19.956 1.00 0.00 WT1 H ATOM 20671 OH2 TIP3 7051 -1.783 -4.072 -2.783 1.00 0.00 WT1 O ATOM 20672 H1 TIP3 7051 8.978 -20.114 -0.798 1.00 0.00 WT1 H ATOM 20673 H2 TIP3 7051 -4.844 10.471 12.714 1.00 0.00 WT1 H ATOM 20674 OH2 TIP3 7053 5.781 -6.030 16.198 1.00 0.00 WT1 O ATOM 20675 H1 TIP3 7053 3.940 -11.286 17.297 1.00 0.00 WT1 H ATOM 20676 H2 TIP3 7053 3.835 -8.485 12.795 1.00 0.00 WT1 H ATOM 20677 OH2 TIP3 7054 4.071 -2.754 5.676 1.00 0.00 WT1 O ATOM 20678 H1 TIP3 7054 -21.159 -6.380 -25.593 1.00 0.00 WT1 H ATOM 20679 H2 TIP3 7054 4.224 -7.565 3.531 1.00 0.00 WT1 H ATOM 20680 OH2 TIP3 7055 -3.312 1.977 -3.656 1.00 0.00 WT1 O ATOM 20681 H1 TIP3 7055 -25.468 15.722 -10.258 1.00 0.00 WT1 H ATOM 20682 H2 TIP3 7055 -11.819 -12.919 23.955 1.00 0.00 WT1 H ATOM 20683 OH2 TIP3 7056 1.044 7.045 -0.047 1.00 0.00 WT1 O ATOM 20684 H1 TIP3 7056 20.368 -22.394 12.777 1.00 0.00 WT1 H ATOM 20685 H2 TIP3 7056 -16.129 15.205 3.736 1.00 0.00 WT1 H ATOM 20686 OH2 TIP3 7057 1.985 -0.159 1.212 1.00 0.00 WT1 O ATOM 20687 H1 TIP3 7057 5.812 -6.696 6.112 1.00 0.00 WT1 H ATOM 20688 H2 TIP3 7057 -2.990 12.126 -13.893 1.00 0.00 WT1 H ATOM 20689 OH2 TIP3 7058 3.674 -2.904 -2.789 1.00 0.00 WT1 O ATOM 20690 H1 TIP3 7058 -16.351 7.607 5.123 1.00 0.00 WT1 H ATOM 20691 H2 TIP3 7058 30.615 12.966 4.736 1.00 0.00 WT1 H ATOM 20692 OH2 TIP3 7059 1.272 -4.198 -11.167 1.00 0.00 WT1 O ATOM 20693 H1 TIP3 7059 -24.933 0.170 0.773 1.00 0.00 WT1 H ATOM 20694 H2 TIP3 7059 6.330 -3.365 -15.101 1.00 0.00 WT1 H ATOM 20695 OH2 TIP3 7060 1.173 -3.288 -1.657 1.00 0.00 WT1 O ATOM 20696 H1 TIP3 7060 11.747 -10.851 -5.558 1.00 0.00 WT1 H ATOM 20697 H2 TIP3 7060 -8.238 -13.729 2.346 1.00 0.00 WT1 H ATOM 20698 OH2 TIP3 7061 -2.946 2.739 -2.358 1.00 0.00 WT1 O ATOM 20699 H1 TIP3 7061 5.167 -18.434 -8.583 1.00 0.00 WT1 H ATOM 20700 H2 TIP3 7061 -13.562 13.601 -24.192 1.00 0.00 WT1 H ATOM 20701 OH2 TIP3 7062 6.088 1.405 0.363 1.00 0.00 WT1 O ATOM 20702 H1 TIP3 7062 -7.586 -17.217 0.475 1.00 0.00 WT1 H ATOM 20703 H2 TIP3 7062 33.048 19.346 12.697 1.00 0.00 WT1 H ATOM 20704 OH2 TIP3 7063 -0.443 2.002 -0.801 1.00 0.00 WT1 O ATOM 20705 H1 TIP3 7063 25.116 14.120 -16.832 1.00 0.00 WT1 H ATOM 20706 H2 TIP3 7063 20.055 -0.704 10.512 1.00 0.00 WT1 H ATOM 20707 OH2 TIP3 7064 1.284 2.223 0.849 1.00 0.00 WT1 O ATOM 20708 H1 TIP3 7064 4.211 3.077 1.244 1.00 0.00 WT1 H ATOM 20709 H2 TIP3 7064 -11.775 12.042 -10.521 1.00 0.00 WT1 H ATOM 20710 OH2 TIP3 7065 1.025 5.674 4.171 1.00 0.00 WT1 O ATOM 20711 H1 TIP3 7065 14.337 -0.616 -3.131 1.00 0.00 WT1 H ATOM 20712 H2 TIP3 7065 -9.455 9.944 0.614 1.00 0.00 WT1 H ATOM 20713 OH2 TIP3 7066 -4.482 1.990 0.644 1.00 0.00 WT1 O ATOM 20714 H1 TIP3 7066 -4.229 5.969 4.769 1.00 0.00 WT1 H ATOM 20715 H2 TIP3 7066 -3.628 -1.431 9.119 1.00 0.00 WT1 H ATOM 20716 OH2 TIP3 7067 -6.368 4.461 -1.331 1.00 0.00 WT1 O ATOM 20717 H1 TIP3 7067 -6.893 -10.490 -13.551 1.00 0.00 WT1 H ATOM 20718 H2 TIP3 7067 -13.041 -8.596 -11.166 1.00 0.00 WT1 H ATOM 20719 OH2 TIP3 7068 -4.506 0.175 0.400 1.00 0.00 WT1 O ATOM 20720 H1 TIP3 7068 -13.228 12.347 10.309 1.00 0.00 WT1 H ATOM 20721 H2 TIP3 7068 19.214 21.611 -4.830 1.00 0.00 WT1 H ATOM 20722 OH2 TIP3 7069 7.597 -4.834 -5.096 1.00 0.00 WT1 O ATOM 20723 H1 TIP3 7069 0.768 -8.181 -14.776 1.00 0.00 WT1 H ATOM 20724 H2 TIP3 7069 -0.343 -1.284 1.075 1.00 0.00 WT1 H ATOM 20725 OH2 TIP3 7071 -4.749 -2.143 -3.512 1.00 0.00 WT1 O ATOM 20726 H1 TIP3 7071 -4.818 -0.396 10.881 1.00 0.00 WT1 H ATOM 20727 H2 TIP3 7071 0.323 20.430 11.203 1.00 0.00 WT1 H ATOM 20728 OH2 TIP3 7072 3.198 -0.770 -0.012 1.00 0.00 WT1 O ATOM 20729 H1 TIP3 7072 -14.806 12.944 -4.003 1.00 0.00 WT1 H ATOM 20730 H2 TIP3 7072 5.600 -13.700 -13.499 1.00 0.00 WT1 H ATOM 20731 OH2 TIP3 7073 -0.027 0.565 -3.363 1.00 0.00 WT1 O ATOM 20732 H1 TIP3 7073 -24.148 0.610 -8.691 1.00 0.00 WT1 H ATOM 20733 H2 TIP3 7073 7.821 -23.675 -7.312 1.00 0.00 WT1 H ATOM 20734 OH2 TIP3 7074 -0.072 -6.415 2.756 1.00 0.00 WT1 O ATOM 20735 H1 TIP3 7074 -0.825 -10.290 3.898 1.00 0.00 WT1 H ATOM 20736 H2 TIP3 7074 1.313 -6.018 11.379 1.00 0.00 WT1 H ATOM 20737 OH2 TIP3 7075 3.215 2.687 1.734 1.00 0.00 WT1 O ATOM 20738 H1 TIP3 7075 -8.614 -4.340 4.391 1.00 0.00 WT1 H ATOM 20739 H2 TIP3 7075 45.027 1.855 4.517 1.00 0.00 WT1 H ATOM 20740 OH2 TIP3 7076 2.709 0.450 -4.071 1.00 0.00 WT1 O ATOM 20741 H1 TIP3 7076 3.066 4.712 -18.552 1.00 0.00 WT1 H ATOM 20742 H2 TIP3 7076 -12.155 -1.683 -11.049 1.00 0.00 WT1 H ATOM 20743 OH2 TIP3 7077 -3.653 4.718 1.630 1.00 0.00 WT1 O ATOM 20744 H1 TIP3 7077 -6.671 -0.232 -6.637 1.00 0.00 WT1 H ATOM 20745 H2 TIP3 7077 -22.108 10.913 -5.487 1.00 0.00 WT1 H ATOM 20746 OH2 TIP3 7078 -2.098 1.390 -3.043 1.00 0.00 WT1 O ATOM 20747 H1 TIP3 7078 -13.453 0.468 1.258 1.00 0.00 WT1 H ATOM 20748 H2 TIP3 7078 1.032 -0.042 -2.570 1.00 0.00 WT1 H ATOM 20749 OH2 TIP3 7079 -3.790 -5.609 3.711 1.00 0.00 WT1 O ATOM 20750 H1 TIP3 7079 -21.764 10.801 -22.381 1.00 0.00 WT1 H ATOM 20751 H2 TIP3 7079 -4.117 26.364 3.488 1.00 0.00 WT1 H ATOM 20752 OH2 TIP3 7080 -0.360 1.804 0.206 1.00 0.00 WT1 O ATOM 20753 H1 TIP3 7080 1.085 3.772 -16.353 1.00 0.00 WT1 H ATOM 20754 H2 TIP3 7080 -15.359 -2.747 5.761 1.00 0.00 WT1 H ATOM 20755 OH2 TIP3 7081 1.240 6.845 -1.027 1.00 0.00 WT1 O ATOM 20756 H1 TIP3 7081 8.862 -15.376 20.662 1.00 0.00 WT1 H ATOM 20757 H2 TIP3 7081 0.342 -22.969 -11.903 1.00 0.00 WT1 H ATOM 20758 OH2 TIP3 7082 6.326 5.747 4.735 1.00 0.00 WT1 O ATOM 20759 H1 TIP3 7082 10.292 -18.774 9.626 1.00 0.00 WT1 H ATOM 20760 H2 TIP3 7082 -2.908 8.993 -10.506 1.00 0.00 WT1 H ATOM 20761 OH2 TIP3 7083 -2.820 0.254 1.512 1.00 0.00 WT1 O ATOM 20762 H1 TIP3 7083 -5.183 -17.441 -10.664 1.00 0.00 WT1 H ATOM 20763 H2 TIP3 7083 2.383 -6.898 4.827 1.00 0.00 WT1 H ATOM 20764 OH2 TIP3 7085 2.593 1.932 -6.360 1.00 0.00 WT1 O ATOM 20765 H1 TIP3 7085 -15.286 4.984 -3.876 1.00 0.00 WT1 H ATOM 20766 H2 TIP3 7085 12.528 -4.114 7.458 1.00 0.00 WT1 H ATOM 20767 OH2 TIP3 7086 4.330 1.558 -4.490 1.00 0.00 WT1 O ATOM 20768 H1 TIP3 7086 15.851 6.681 12.468 1.00 0.00 WT1 H ATOM 20769 H2 TIP3 7086 2.971 -0.034 6.916 1.00 0.00 WT1 H ATOM 20770 OH2 TIP3 7088 -5.471 -3.145 2.475 1.00 0.00 WT1 O ATOM 20771 H1 TIP3 7088 -11.625 -13.949 -3.552 1.00 0.00 WT1 H ATOM 20772 H2 TIP3 7088 13.478 -6.165 -15.699 1.00 0.00 WT1 H ATOM 20773 OH2 TIP3 7089 -0.955 1.832 -0.580 1.00 0.00 WT1 O ATOM 20774 H1 TIP3 7089 -12.871 2.076 2.329 1.00 0.00 WT1 H ATOM 20775 H2 TIP3 7089 -2.486 -1.144 1.221 1.00 0.00 WT1 H ATOM 20776 OH2 TIP3 7090 3.991 0.638 0.683 1.00 0.00 WT1 O ATOM 20777 H1 TIP3 7090 5.330 -7.202 4.557 1.00 0.00 WT1 H ATOM 20778 H2 TIP3 7090 -0.189 1.630 13.115 1.00 0.00 WT1 H ATOM 20779 OH2 TIP3 7091 -0.108 4.006 -0.621 1.00 0.00 WT1 O ATOM 20780 H1 TIP3 7091 7.625 -6.420 7.791 1.00 0.00 WT1 H ATOM 20781 H2 TIP3 7091 -15.010 0.340 1.543 1.00 0.00 WT1 H ATOM 20782 OH2 TIP3 7092 0.418 6.741 -1.781 1.00 0.00 WT1 O ATOM 20783 H1 TIP3 7092 4.537 5.424 -0.398 1.00 0.00 WT1 H ATOM 20784 H2 TIP3 7092 -1.668 6.169 1.520 1.00 0.00 WT1 H ATOM 20785 OH2 TIP3 7093 3.023 1.111 0.926 1.00 0.00 WT1 O ATOM 20786 H1 TIP3 7093 -4.151 -3.977 2.502 1.00 0.00 WT1 H ATOM 20787 H2 TIP3 7093 0.159 8.490 -2.446 1.00 0.00 WT1 H ATOM 20788 OH2 TIP3 7094 -3.741 -6.465 0.176 1.00 0.00 WT1 O ATOM 20789 H1 TIP3 7094 -7.326 -6.214 4.078 1.00 0.00 WT1 H ATOM 20790 H2 TIP3 7094 4.180 -1.032 5.087 1.00 0.00 WT1 H ATOM 20791 OH2 TIP3 7095 6.913 4.723 4.568 1.00 0.00 WT1 O ATOM 20792 H1 TIP3 7095 22.113 -7.076 6.094 1.00 0.00 WT1 H ATOM 20793 H2 TIP3 7095 7.843 2.311 5.522 1.00 0.00 WT1 H ATOM 20794 OH2 TIP3 7096 3.273 3.087 2.125 1.00 0.00 WT1 O ATOM 20795 H1 TIP3 7096 4.807 6.342 1.856 1.00 0.00 WT1 H ATOM 20796 H2 TIP3 7096 6.212 0.685 2.944 1.00 0.00 WT1 H ATOM 20797 OH2 TIP3 7097 2.826 -4.577 -1.865 1.00 0.00 WT1 O ATOM 20798 H1 TIP3 7097 -6.301 5.056 -17.451 1.00 0.00 WT1 H ATOM 20799 H2 TIP3 7097 0.645 0.942 12.269 1.00 0.00 WT1 H ATOM 20800 OH2 TIP3 7098 -1.291 9.028 3.043 1.00 0.00 WT1 O ATOM 20801 H1 TIP3 7098 -13.523 -1.372 -6.096 1.00 0.00 WT1 H ATOM 20802 H2 TIP3 7098 11.859 -14.570 16.984 1.00 0.00 WT1 H ATOM 20803 OH2 TIP3 7099 4.215 3.623 -3.202 1.00 0.00 WT1 O ATOM 20804 H1 TIP3 7099 -5.205 9.195 -6.098 1.00 0.00 WT1 H ATOM 20805 H2 TIP3 7099 -1.704 7.124 -4.785 1.00 0.00 WT1 H ATOM 20806 OH2 TIP3 7101 0.804 -3.325 -2.422 1.00 0.00 WT1 O ATOM 20807 H1 TIP3 7101 12.817 -2.170 -20.826 1.00 0.00 WT1 H ATOM 20808 H2 TIP3 7101 -0.077 -3.555 -24.836 1.00 0.00 WT1 H ATOM 20809 OH2 TIP3 7102 4.691 -1.173 -3.897 1.00 0.00 WT1 O ATOM 20810 H1 TIP3 7102 16.213 14.635 -34.995 1.00 0.00 WT1 H ATOM 20811 H2 TIP3 7102 20.173 -33.808 -6.221 1.00 0.00 WT1 H ATOM 20812 OH2 TIP3 7103 -0.787 -0.871 -3.021 1.00 0.00 WT1 O ATOM 20813 H1 TIP3 7103 -4.004 1.946 4.195 1.00 0.00 WT1 H ATOM 20814 H2 TIP3 7103 -6.498 3.202 -10.383 1.00 0.00 WT1 H ATOM 20815 OH2 TIP3 7104 3.982 -2.861 -3.333 1.00 0.00 WT1 O ATOM 20816 H1 TIP3 7104 -1.533 2.939 -6.706 1.00 0.00 WT1 H ATOM 20817 H2 TIP3 7104 9.193 -9.800 -4.037 1.00 0.00 WT1 H ATOM 20818 OH2 TIP3 7105 3.959 -3.348 -1.468 1.00 0.00 WT1 O ATOM 20819 H1 TIP3 7105 8.166 -14.586 -9.108 1.00 0.00 WT1 H ATOM 20820 H2 TIP3 7105 11.660 -3.446 13.888 1.00 0.00 WT1 H ATOM 20821 OH2 TIP3 7106 5.298 -1.659 1.400 1.00 0.00 WT1 O ATOM 20822 H1 TIP3 7106 -4.884 -12.619 48.380 1.00 0.00 WT1 H ATOM 20823 H2 TIP3 7106 -14.251 -17.618 0.461 1.00 0.00 WT1 H ATOM 20824 OH2 TIP3 7107 -0.916 -0.386 -2.278 1.00 0.00 WT1 O ATOM 20825 H1 TIP3 7107 -2.249 7.189 -3.792 1.00 0.00 WT1 H ATOM 20826 H2 TIP3 7107 -7.448 7.876 -0.242 1.00 0.00 WT1 H ATOM 20827 OH2 TIP3 7108 0.768 3.854 -8.618 1.00 0.00 WT1 O ATOM 20828 H1 TIP3 7108 2.627 -3.475 -7.465 1.00 0.00 WT1 H ATOM 20829 H2 TIP3 7108 2.227 0.047 -4.242 1.00 0.00 WT1 H ATOM 20830 OH2 TIP3 7109 -2.276 -0.275 4.380 1.00 0.00 WT1 O ATOM 20831 H1 TIP3 7109 -10.230 -12.499 -6.929 1.00 0.00 WT1 H ATOM 20832 H2 TIP3 7109 4.354 -16.630 -14.551 1.00 0.00 WT1 H ATOM 20833 OH2 TIP3 7110 2.116 3.489 2.074 1.00 0.00 WT1 O ATOM 20834 H1 TIP3 7110 -22.873 16.156 9.198 1.00 0.00 WT1 H ATOM 20835 H2 TIP3 7110 14.900 -16.762 -7.937 1.00 0.00 WT1 H ATOM 20836 OH2 TIP3 7111 2.924 -7.471 1.072 1.00 0.00 WT1 O ATOM 20837 H1 TIP3 7111 5.814 -13.347 6.069 1.00 0.00 WT1 H ATOM 20838 H2 TIP3 7111 11.725 -3.305 -5.160 1.00 0.00 WT1 H ATOM 20839 OH2 TIP3 7113 6.811 -1.064 -5.057 1.00 0.00 WT1 O ATOM 20840 H1 TIP3 7113 6.126 14.498 -6.338 1.00 0.00 WT1 H ATOM 20841 H2 TIP3 7113 15.250 -19.926 -18.423 1.00 0.00 WT1 H ATOM 20842 OH2 TIP3 7114 -2.315 -5.737 -1.360 1.00 0.00 WT1 O ATOM 20843 H1 TIP3 7114 -0.854 -3.646 -15.830 1.00 0.00 WT1 H ATOM 20844 H2 TIP3 7114 -0.764 2.961 -16.558 1.00 0.00 WT1 H ATOM 20845 OH2 TIP3 7115 -1.992 0.356 1.095 1.00 0.00 WT1 O ATOM 20846 H1 TIP3 7115 -12.780 -5.738 5.241 1.00 0.00 WT1 H ATOM 20847 H2 TIP3 7115 -8.978 -2.103 10.222 1.00 0.00 WT1 H ATOM 20848 OH2 TIP3 7116 5.861 -4.926 0.170 1.00 0.00 WT1 O ATOM 20849 H1 TIP3 7116 5.452 8.258 -1.824 1.00 0.00 WT1 H ATOM 20850 H2 TIP3 7116 -5.160 -21.958 5.936 1.00 0.00 WT1 H ATOM 20851 OH2 TIP3 7117 -5.844 -1.847 -2.895 1.00 0.00 WT1 O ATOM 20852 H1 TIP3 7117 -17.332 -5.750 5.000 1.00 0.00 WT1 H ATOM 20853 H2 TIP3 7117 -12.800 1.408 4.717 1.00 0.00 WT1 H ATOM 20854 OH2 TIP3 7118 -0.303 -2.642 -1.176 1.00 0.00 WT1 O ATOM 20855 H1 TIP3 7118 21.047 11.280 -4.849 1.00 0.00 WT1 H ATOM 20856 H2 TIP3 7118 -3.053 -12.777 -5.833 1.00 0.00 WT1 H ATOM 20857 OH2 TIP3 7119 2.417 1.283 6.544 1.00 0.00 WT1 O ATOM 20858 H1 TIP3 7119 -0.064 17.483 0.585 1.00 0.00 WT1 H ATOM 20859 H2 TIP3 7119 -11.486 -7.962 0.896 1.00 0.00 WT1 H ATOM 20860 OH2 TIP3 7120 -1.490 6.057 6.215 1.00 0.00 WT1 O ATOM 20861 H1 TIP3 7120 6.316 6.553 3.339 1.00 0.00 WT1 H ATOM 20862 H2 TIP3 7120 -4.664 6.186 11.244 1.00 0.00 WT1 H ATOM 20863 OH2 TIP3 7121 2.372 -0.916 -4.697 1.00 0.00 WT1 O ATOM 20864 H1 TIP3 7121 -16.493 12.365 -0.243 1.00 0.00 WT1 H ATOM 20865 H2 TIP3 7121 9.291 -8.213 -7.160 1.00 0.00 WT1 H ATOM 20866 OH2 TIP3 7122 3.495 -0.543 8.601 1.00 0.00 WT1 O ATOM 20867 H1 TIP3 7122 -5.327 8.849 3.842 1.00 0.00 WT1 H ATOM 20868 H2 TIP3 7122 -16.043 0.319 -10.454 1.00 0.00 WT1 H ATOM 20869 OH2 TIP3 7123 -7.746 -4.422 -0.463 1.00 0.00 WT1 O ATOM 20870 H1 TIP3 7123 21.630 -25.598 -12.203 1.00 0.00 WT1 H ATOM 20871 H2 TIP3 7123 -18.788 7.457 14.869 1.00 0.00 WT1 H ATOM 20872 OH2 TIP3 7124 -2.659 -6.057 -1.386 1.00 0.00 WT1 O ATOM 20873 H1 TIP3 7124 -7.562 -21.792 3.946 1.00 0.00 WT1 H ATOM 20874 H2 TIP3 7124 -1.141 -5.646 10.676 1.00 0.00 WT1 H ATOM 20875 OH2 TIP3 7125 -0.848 3.003 1.120 1.00 0.00 WT1 O ATOM 20876 H1 TIP3 7125 -2.229 -25.509 -0.025 1.00 0.00 WT1 H ATOM 20877 H2 TIP3 7125 24.518 11.252 18.401 1.00 0.00 WT1 H ATOM 20878 OH2 TIP3 7126 -1.296 7.719 -2.576 1.00 0.00 WT1 O ATOM 20879 H1 TIP3 7126 -0.650 -3.937 -11.536 1.00 0.00 WT1 H ATOM 20880 H2 TIP3 7126 7.388 -12.399 12.153 1.00 0.00 WT1 H ATOM 20881 OH2 TIP3 7127 5.143 4.164 -0.930 1.00 0.00 WT1 O ATOM 20882 H1 TIP3 7127 -9.211 1.981 -4.896 1.00 0.00 WT1 H ATOM 20883 H2 TIP3 7127 3.351 21.639 0.175 1.00 0.00 WT1 H ATOM 20884 OH2 TIP3 7128 -6.679 -1.632 -3.084 1.00 0.00 WT1 O ATOM 20885 H1 TIP3 7128 13.927 -24.921 -8.276 1.00 0.00 WT1 H ATOM 20886 H2 TIP3 7128 -6.884 -1.043 -2.904 1.00 0.00 WT1 H ATOM 20887 OH2 TIP3 7129 -2.142 -4.854 -6.016 1.00 0.00 WT1 O ATOM 20888 H1 TIP3 7129 11.649 -26.448 7.744 1.00 0.00 WT1 H ATOM 20889 H2 TIP3 7129 14.079 -3.953 -20.644 1.00 0.00 WT1 H ATOM 20890 OH2 TIP3 7130 2.171 -6.721 0.887 1.00 0.00 WT1 O ATOM 20891 H1 TIP3 7130 7.910 -18.847 9.520 1.00 0.00 WT1 H ATOM 20892 H2 TIP3 7130 -10.059 -1.043 -15.299 1.00 0.00 WT1 H ATOM 20893 OH2 TIP3 7131 -5.327 3.915 2.969 1.00 0.00 WT1 O ATOM 20894 H1 TIP3 7131 27.866 -9.355 -8.513 1.00 0.00 WT1 H ATOM 20895 H2 TIP3 7131 14.000 19.678 1.732 1.00 0.00 WT1 H ATOM 20896 OH2 TIP3 7132 -4.078 2.867 -2.811 1.00 0.00 WT1 O ATOM 20897 H1 TIP3 7132 1.249 2.150 4.849 1.00 0.00 WT1 H ATOM 20898 H2 TIP3 7132 -3.110 3.517 -0.234 1.00 0.00 WT1 H ATOM 20899 OH2 TIP3 7133 2.919 2.341 -6.280 1.00 0.00 WT1 O ATOM 20900 H1 TIP3 7133 8.559 10.213 -6.880 1.00 0.00 WT1 H ATOM 20901 H2 TIP3 7133 -12.214 -19.585 -3.742 1.00 0.00 WT1 H ATOM 20902 OH2 TIP3 7134 -0.392 0.468 7.115 1.00 0.00 WT1 O ATOM 20903 H1 TIP3 7134 36.815 -18.333 -3.846 1.00 0.00 WT1 H ATOM 20904 H2 TIP3 7134 2.419 11.465 19.717 1.00 0.00 WT1 H ATOM 20905 OH2 TIP3 7135 3.642 0.893 4.938 1.00 0.00 WT1 O ATOM 20906 H1 TIP3 7135 3.083 -1.996 -7.002 1.00 0.00 WT1 H ATOM 20907 H2 TIP3 7135 29.792 0.721 10.698 1.00 0.00 WT1 H ATOM 20908 OH2 TIP3 7136 1.150 5.704 4.069 1.00 0.00 WT1 O ATOM 20909 H1 TIP3 7136 -19.564 -14.236 -8.972 1.00 0.00 WT1 H ATOM 20910 H2 TIP3 7136 -13.484 -16.883 25.238 1.00 0.00 WT1 H ATOM 20911 OH2 TIP3 7137 -4.542 2.960 0.832 1.00 0.00 WT1 O ATOM 20912 H1 TIP3 7137 -1.702 8.700 -8.921 1.00 0.00 WT1 H ATOM 20913 H2 TIP3 7137 12.485 8.378 10.638 1.00 0.00 WT1 H ATOM 20914 OH2 TIP3 7138 1.249 -0.789 -1.699 1.00 0.00 WT1 O ATOM 20915 H1 TIP3 7138 -1.845 -4.623 -1.232 1.00 0.00 WT1 H ATOM 20916 H2 TIP3 7138 -1.072 -9.650 3.898 1.00 0.00 WT1 H ATOM 20917 OH2 TIP3 7139 -0.196 -2.643 2.600 1.00 0.00 WT1 O ATOM 20918 H1 TIP3 7139 -5.385 -5.070 3.088 1.00 0.00 WT1 H ATOM 20919 H2 TIP3 7139 -5.273 -3.400 2.659 1.00 0.00 WT1 H ATOM 20920 OH2 TIP3 7140 -0.282 0.707 -4.139 1.00 0.00 WT1 O ATOM 20921 H1 TIP3 7140 -1.983 17.479 -23.450 1.00 0.00 WT1 H ATOM 20922 H2 TIP3 7140 5.535 -9.606 -22.523 1.00 0.00 WT1 H ATOM 20923 OH2 TIP3 7141 1.534 -5.315 6.216 1.00 0.00 WT1 O ATOM 20924 H1 TIP3 7141 12.340 4.600 -12.315 1.00 0.00 WT1 H ATOM 20925 H2 TIP3 7141 -6.591 7.455 -2.478 1.00 0.00 WT1 H ATOM 20926 OH2 TIP3 7142 6.877 -1.104 13.605 1.00 0.00 WT1 O ATOM 20927 H1 TIP3 7142 -1.847 22.299 11.658 1.00 0.00 WT1 H ATOM 20928 H2 TIP3 7142 8.515 -2.205 14.280 1.00 0.00 WT1 H ATOM 20929 OH2 TIP3 7143 5.819 8.452 -4.965 1.00 0.00 WT1 O ATOM 20930 H1 TIP3 7143 -4.928 16.372 -5.755 1.00 0.00 WT1 H ATOM 20931 H2 TIP3 7143 0.026 -2.908 -1.894 1.00 0.00 WT1 H ATOM 20932 OH2 TIP3 7144 -1.735 2.685 8.575 1.00 0.00 WT1 O ATOM 20933 H1 TIP3 7144 -0.447 -9.167 5.334 1.00 0.00 WT1 H ATOM 20934 H2 TIP3 7144 -5.120 11.820 9.447 1.00 0.00 WT1 H ATOM 20935 OH2 TIP3 7145 3.092 3.411 1.074 1.00 0.00 WT1 O ATOM 20936 H1 TIP3 7145 -9.128 -19.877 -16.157 1.00 0.00 WT1 H ATOM 20937 H2 TIP3 7145 3.232 -3.713 -4.832 1.00 0.00 WT1 H ATOM 20938 OH2 TIP3 7146 -5.049 2.269 4.508 1.00 0.00 WT1 O ATOM 20939 H1 TIP3 7146 -4.169 -5.432 10.174 1.00 0.00 WT1 H ATOM 20940 H2 TIP3 7146 10.338 -0.878 8.908 1.00 0.00 WT1 H ATOM 20941 OH2 TIP3 7147 -1.414 -0.550 6.754 1.00 0.00 WT1 O ATOM 20942 H1 TIP3 7147 2.952 -7.023 10.884 1.00 0.00 WT1 H ATOM 20943 H2 TIP3 7147 -2.099 -5.306 -1.940 1.00 0.00 WT1 H ATOM 20944 OH2 TIP3 7148 -2.561 0.794 -2.782 1.00 0.00 WT1 O ATOM 20945 H1 TIP3 7148 -15.631 -1.273 -14.451 1.00 0.00 WT1 H ATOM 20946 H2 TIP3 7148 1.760 -1.501 -2.383 1.00 0.00 WT1 H ATOM 20947 OH2 TIP3 7149 -4.092 2.598 -3.608 1.00 0.00 WT1 O ATOM 20948 H1 TIP3 7149 2.733 25.261 -9.068 1.00 0.00 WT1 H ATOM 20949 H2 TIP3 7149 -23.513 13.150 11.838 1.00 0.00 WT1 H ATOM 20950 OH2 TIP3 7150 -1.888 2.816 -0.408 1.00 0.00 WT1 O ATOM 20951 H1 TIP3 7150 -13.218 4.559 6.209 1.00 0.00 WT1 H ATOM 20952 H2 TIP3 7150 -10.166 3.094 12.253 1.00 0.00 WT1 H ATOM 20953 OH2 TIP3 7151 4.717 1.554 3.074 1.00 0.00 WT1 O ATOM 20954 H1 TIP3 7151 -26.721 0.607 -10.389 1.00 0.00 WT1 H ATOM 20955 H2 TIP3 7151 -11.099 -0.474 1.013 1.00 0.00 WT1 H ATOM 20956 OH2 TIP3 7152 8.286 -2.219 -5.499 1.00 0.00 WT1 O ATOM 20957 H1 TIP3 7152 5.363 -18.088 -6.642 1.00 0.00 WT1 H ATOM 20958 H2 TIP3 7152 7.462 3.698 -11.901 1.00 0.00 WT1 H ATOM 20959 OH2 TIP3 7153 5.296 1.786 2.990 1.00 0.00 WT1 O ATOM 20960 H1 TIP3 7153 2.727 -15.797 1.707 1.00 0.00 WT1 H ATOM 20961 H2 TIP3 7153 7.453 16.864 3.917 1.00 0.00 WT1 H ATOM 20962 OH2 TIP3 7154 -2.026 2.111 5.138 1.00 0.00 WT1 O ATOM 20963 H1 TIP3 7154 8.033 9.520 14.445 1.00 0.00 WT1 H ATOM 20964 H2 TIP3 7154 -13.045 -4.801 -4.743 1.00 0.00 WT1 H ATOM 20965 OH2 TIP3 7155 6.619 1.504 -3.855 1.00 0.00 WT1 O ATOM 20966 H1 TIP3 7155 -9.388 9.575 -2.833 1.00 0.00 WT1 H ATOM 20967 H2 TIP3 7155 2.014 -1.526 3.209 1.00 0.00 WT1 H ATOM 20968 OH2 TIP3 7156 -7.906 -1.958 -4.569 1.00 0.00 WT1 O ATOM 20969 H1 TIP3 7156 -6.975 -12.992 -10.299 1.00 0.00 WT1 H ATOM 20970 H2 TIP3 7156 15.751 21.702 -4.576 1.00 0.00 WT1 H ATOM 20971 OH2 TIP3 7157 -1.516 8.742 5.333 1.00 0.00 WT1 O ATOM 20972 H1 TIP3 7157 -1.297 4.628 4.862 1.00 0.00 WT1 H ATOM 20973 H2 TIP3 7157 -14.443 -18.341 -6.605 1.00 0.00 WT1 H ATOM 20974 OH2 TIP3 7158 -1.727 -1.974 -1.446 1.00 0.00 WT1 O ATOM 20975 H1 TIP3 7158 -1.146 18.194 -18.766 1.00 0.00 WT1 H ATOM 20976 H2 TIP3 7158 17.739 -5.740 7.082 1.00 0.00 WT1 H ATOM 20977 OH2 TIP3 7159 -1.471 2.454 -2.166 1.00 0.00 WT1 O ATOM 20978 H1 TIP3 7159 20.621 1.023 -22.231 1.00 0.00 WT1 H ATOM 20979 H2 TIP3 7159 24.295 10.691 12.607 1.00 0.00 WT1 H ATOM 20980 OH2 TIP3 7160 2.673 -3.717 0.731 1.00 0.00 WT1 O ATOM 20981 H1 TIP3 7160 -13.799 12.064 11.405 1.00 0.00 WT1 H ATOM 20982 H2 TIP3 7160 14.288 10.484 4.026 1.00 0.00 WT1 H ATOM 20983 OH2 TIP3 7161 0.475 2.112 -1.576 1.00 0.00 WT1 O ATOM 20984 H1 TIP3 7161 -3.733 -18.154 10.171 1.00 0.00 WT1 H ATOM 20985 H2 TIP3 7161 13.810 5.968 0.224 1.00 0.00 WT1 H ATOM 20986 OH2 TIP3 7162 6.711 -0.763 -4.932 1.00 0.00 WT1 O ATOM 20987 H1 TIP3 7162 3.817 1.369 -3.734 1.00 0.00 WT1 H ATOM 20988 H2 TIP3 7162 0.478 -2.625 -1.239 1.00 0.00 WT1 H ATOM 20989 OH2 TIP3 7163 3.235 4.483 -2.388 1.00 0.00 WT1 O ATOM 20990 H1 TIP3 7163 10.804 -3.193 -3.773 1.00 0.00 WT1 H ATOM 20991 H2 TIP3 7163 15.853 -5.790 -0.676 1.00 0.00 WT1 H ATOM 20992 OH2 TIP3 7164 -0.238 0.309 -4.970 1.00 0.00 WT1 O ATOM 20993 H1 TIP3 7164 -0.056 17.280 -17.883 1.00 0.00 WT1 H ATOM 20994 H2 TIP3 7164 9.471 3.282 12.733 1.00 0.00 WT1 H ATOM 20995 OH2 TIP3 7165 -3.792 3.222 2.890 1.00 0.00 WT1 O ATOM 20996 H1 TIP3 7165 5.870 -16.089 1.809 1.00 0.00 WT1 H ATOM 20997 H2 TIP3 7165 11.859 6.386 1.777 1.00 0.00 WT1 H ATOM 20998 OH2 TIP3 7166 -2.897 -1.479 -0.155 1.00 0.00 WT1 O ATOM 20999 H1 TIP3 7166 -3.724 -16.048 -7.920 1.00 0.00 WT1 H ATOM 21000 H2 TIP3 7166 0.369 2.148 -2.880 1.00 0.00 WT1 H ATOM 21001 OH2 TIP3 7167 3.467 -5.694 -1.916 1.00 0.00 WT1 O ATOM 21002 H1 TIP3 7167 -13.377 7.340 10.245 1.00 0.00 WT1 H ATOM 21003 H2 TIP3 7167 15.666 -1.432 14.274 1.00 0.00 WT1 H ATOM 21004 OH2 TIP3 7168 0.939 4.017 5.692 1.00 0.00 WT1 O ATOM 21005 H1 TIP3 7168 7.581 0.243 6.885 1.00 0.00 WT1 H ATOM 21006 H2 TIP3 7168 8.514 0.558 6.139 1.00 0.00 WT1 H ATOM 21007 OH2 TIP3 7169 2.375 -1.074 -6.191 1.00 0.00 WT1 O ATOM 21008 H1 TIP3 7169 -8.456 19.862 1.662 1.00 0.00 WT1 H ATOM 21009 H2 TIP3 7169 -2.624 32.378 -4.513 1.00 0.00 WT1 H ATOM 21010 OH2 TIP3 7170 3.408 0.049 3.368 1.00 0.00 WT1 O ATOM 21011 H1 TIP3 7170 11.232 -1.499 -2.152 1.00 0.00 WT1 H ATOM 21012 H2 TIP3 7170 14.420 2.915 2.116 1.00 0.00 WT1 H ATOM 21013 OH2 TIP3 7171 3.235 -8.128 -6.389 1.00 0.00 WT1 O ATOM 21014 H1 TIP3 7171 -0.686 -1.781 -4.824 1.00 0.00 WT1 H ATOM 21015 H2 TIP3 7171 0.349 -1.981 1.815 1.00 0.00 WT1 H ATOM 21016 OH2 TIP3 7172 3.404 -1.414 -4.258 1.00 0.00 WT1 O ATOM 21017 H1 TIP3 7172 4.094 -1.479 -6.361 1.00 0.00 WT1 H ATOM 21018 H2 TIP3 7172 -10.570 -6.138 10.541 1.00 0.00 WT1 H ATOM 21019 OH2 TIP3 7173 8.410 7.255 -3.810 1.00 0.00 WT1 O ATOM 21020 H1 TIP3 7173 12.244 6.159 -3.681 1.00 0.00 WT1 H ATOM 21021 H2 TIP3 7173 8.973 -0.368 -1.139 1.00 0.00 WT1 H ATOM 21022 OH2 TIP3 7174 -0.171 -4.005 -3.175 1.00 0.00 WT1 O ATOM 21023 H1 TIP3 7174 14.457 7.453 -0.745 1.00 0.00 WT1 H ATOM 21024 H2 TIP3 7174 0.136 -7.582 -6.049 1.00 0.00 WT1 H ATOM 21025 OH2 TIP3 7175 4.092 -2.359 0.151 1.00 0.00 WT1 O ATOM 21026 H1 TIP3 7175 -3.673 0.399 7.656 1.00 0.00 WT1 H ATOM 21027 H2 TIP3 7175 2.810 7.010 -6.159 1.00 0.00 WT1 H ATOM 21028 OH2 TIP3 7176 -4.652 -2.451 -1.632 1.00 0.00 WT1 O ATOM 21029 H1 TIP3 7176 -2.252 2.311 4.842 1.00 0.00 WT1 H ATOM 21030 H2 TIP3 7176 -9.243 -8.496 -2.419 1.00 0.00 WT1 H ATOM 21031 OH2 TIP3 7177 5.680 -2.423 -3.725 1.00 0.00 WT1 O ATOM 21032 H1 TIP3 7177 -6.659 5.200 -9.749 1.00 0.00 WT1 H ATOM 21033 H2 TIP3 7177 0.342 -0.387 -4.722 1.00 0.00 WT1 H ATOM 21034 OH2 TIP3 7178 -1.233 -1.837 -5.092 1.00 0.00 WT1 O ATOM 21035 H1 TIP3 7178 -3.413 -1.312 -6.449 1.00 0.00 WT1 H ATOM 21036 H2 TIP3 7178 -19.523 -7.432 -1.633 1.00 0.00 WT1 H ATOM 21037 OH2 TIP3 7179 1.114 7.356 2.915 1.00 0.00 WT1 O ATOM 21038 H1 TIP3 7179 20.964 21.342 -9.693 1.00 0.00 WT1 H ATOM 21039 H2 TIP3 7179 -7.899 -7.208 -16.872 1.00 0.00 WT1 H ATOM 21040 OH2 TIP3 7180 3.170 -4.458 -1.170 1.00 0.00 WT1 O ATOM 21041 H1 TIP3 7180 3.634 -14.879 -1.424 1.00 0.00 WT1 H ATOM 21042 H2 TIP3 7180 5.115 8.118 11.787 1.00 0.00 WT1 H ATOM 21043 OH2 TIP3 7181 -8.515 2.753 -0.407 1.00 0.00 WT1 O ATOM 21044 H1 TIP3 7181 -19.425 -18.554 -1.066 1.00 0.00 WT1 H ATOM 21045 H2 TIP3 7181 0.129 17.277 -5.512 1.00 0.00 WT1 H ATOM 21046 OH2 TIP3 7182 7.628 -5.190 2.689 1.00 0.00 WT1 O ATOM 21047 H1 TIP3 7182 -8.531 7.234 -13.339 1.00 0.00 WT1 H ATOM 21048 H2 TIP3 7182 -15.587 -18.761 -19.174 1.00 0.00 WT1 H ATOM 21049 OH2 TIP3 7183 2.343 -3.608 -7.490 1.00 0.00 WT1 O ATOM 21050 H1 TIP3 7183 -1.053 -10.542 -3.418 1.00 0.00 WT1 H ATOM 21051 H2 TIP3 7183 -11.941 -11.421 0.127 1.00 0.00 WT1 H ATOM 21052 OH2 TIP3 7184 -2.583 -3.354 3.962 1.00 0.00 WT1 O ATOM 21053 H1 TIP3 7184 -10.161 -1.996 2.959 1.00 0.00 WT1 H ATOM 21054 H2 TIP3 7184 -10.606 5.755 13.071 1.00 0.00 WT1 H ATOM 21055 OH2 TIP3 7185 3.642 2.590 2.306 1.00 0.00 WT1 O ATOM 21056 H1 TIP3 7185 -13.797 -1.406 -10.679 1.00 0.00 WT1 H ATOM 21057 H2 TIP3 7185 17.494 3.054 -25.727 1.00 0.00 WT1 H ATOM 21058 OH2 TIP3 7186 4.105 -3.761 -2.835 1.00 0.00 WT1 O ATOM 21059 H1 TIP3 7186 18.284 -6.033 -0.215 1.00 0.00 WT1 H ATOM 21060 H2 TIP3 7186 8.187 -3.753 -2.447 1.00 0.00 WT1 H ATOM 21061 OH2 TIP3 7187 -0.276 -1.427 -5.775 1.00 0.00 WT1 O ATOM 21062 H1 TIP3 7187 9.789 3.682 1.409 1.00 0.00 WT1 H ATOM 21063 H2 TIP3 7187 8.062 6.547 -10.597 1.00 0.00 WT1 H ATOM 21064 OH2 TIP3 7188 2.716 3.711 0.247 1.00 0.00 WT1 O ATOM 21065 H1 TIP3 7188 26.293 24.414 -6.538 1.00 0.00 WT1 H ATOM 21066 H2 TIP3 7188 -13.504 10.373 10.884 1.00 0.00 WT1 H ATOM 21067 OH2 TIP3 7189 -0.605 2.437 -4.923 1.00 0.00 WT1 O ATOM 21068 H1 TIP3 7189 8.041 -2.176 1.442 1.00 0.00 WT1 H ATOM 21069 H2 TIP3 7189 -0.719 -1.923 0.267 1.00 0.00 WT1 H ATOM 21070 OH2 TIP3 7190 1.130 -1.711 9.865 1.00 0.00 WT1 O ATOM 21071 H1 TIP3 7190 12.135 20.061 -12.474 1.00 0.00 WT1 H ATOM 21072 H2 TIP3 7190 5.914 -6.985 -15.478 1.00 0.00 WT1 H ATOM 21073 OH2 TIP3 7191 -1.861 1.706 6.399 1.00 0.00 WT1 O ATOM 21074 H1 TIP3 7191 -3.744 -4.875 -8.064 1.00 0.00 WT1 H ATOM 21075 H2 TIP3 7191 6.612 -8.390 14.179 1.00 0.00 WT1 H ATOM 21076 OH2 TIP3 7192 -1.883 2.840 8.943 1.00 0.00 WT1 O ATOM 21077 H1 TIP3 7192 -13.447 7.758 -15.187 1.00 0.00 WT1 H ATOM 21078 H2 TIP3 7192 9.022 -3.999 35.809 1.00 0.00 WT1 H ATOM 21079 OH2 TIP3 7193 9.824 3.645 2.523 1.00 0.00 WT1 O ATOM 21080 H1 TIP3 7193 -9.518 6.930 2.940 1.00 0.00 WT1 H ATOM 21081 H2 TIP3 7193 -29.796 -9.664 -14.779 1.00 0.00 WT1 H ATOM 21082 OH2 TIP3 7194 0.106 0.187 6.616 1.00 0.00 WT1 O ATOM 21083 H1 TIP3 7194 -20.056 -3.183 8.476 1.00 0.00 WT1 H ATOM 21084 H2 TIP3 7194 2.783 -10.179 2.410 1.00 0.00 WT1 H ATOM 21085 OH2 TIP3 7195 -0.094 -2.486 -0.853 1.00 0.00 WT1 O ATOM 21086 H1 TIP3 7195 3.579 -4.771 -1.360 1.00 0.00 WT1 H ATOM 21087 H2 TIP3 7195 -2.386 3.941 1.871 1.00 0.00 WT1 H ATOM 21088 OH2 TIP3 7196 5.556 -2.455 -0.709 1.00 0.00 WT1 O ATOM 21089 H1 TIP3 7196 -8.929 -21.141 14.479 1.00 0.00 WT1 H ATOM 21090 H2 TIP3 7196 -15.719 5.871 -6.314 1.00 0.00 WT1 H ATOM 21091 OH2 TIP3 7197 -1.101 -0.181 -4.043 1.00 0.00 WT1 O ATOM 21092 H1 TIP3 7197 1.885 3.107 -24.932 1.00 0.00 WT1 H ATOM 21093 H2 TIP3 7197 1.746 3.861 -26.276 1.00 0.00 WT1 H ATOM 21094 OH2 TIP3 7198 -6.060 1.388 2.384 1.00 0.00 WT1 O ATOM 21095 H1 TIP3 7198 -5.496 -7.258 0.148 1.00 0.00 WT1 H ATOM 21096 H2 TIP3 7198 10.502 -1.008 -8.738 1.00 0.00 WT1 H ATOM 21097 OH2 TIP3 7199 -1.233 -11.871 0.420 1.00 0.00 WT1 O ATOM 21098 H1 TIP3 7199 2.458 -4.034 1.253 1.00 0.00 WT1 H ATOM 21099 H2 TIP3 7199 -9.421 -24.249 0.159 1.00 0.00 WT1 H ATOM 21100 OH2 TIP3 7200 -0.755 5.920 -2.194 1.00 0.00 WT1 O ATOM 21101 H1 TIP3 7200 1.721 -9.477 34.861 1.00 0.00 WT1 H ATOM 21102 H2 TIP3 7200 15.100 4.336 -0.199 1.00 0.00 WT1 H ATOM 21103 OH2 TIP3 7201 1.266 5.776 1.120 1.00 0.00 WT1 O ATOM 21104 H1 TIP3 7201 -5.565 -7.579 -11.378 1.00 0.00 WT1 H ATOM 21105 H2 TIP3 7201 -12.164 -4.561 27.932 1.00 0.00 WT1 H ATOM 21106 OH2 TIP3 7202 1.586 5.040 -1.965 1.00 0.00 WT1 O ATOM 21107 H1 TIP3 7202 0.825 11.319 13.693 1.00 0.00 WT1 H ATOM 21108 H2 TIP3 7202 -4.230 7.435 16.535 1.00 0.00 WT1 H ATOM 21109 OH2 TIP3 7203 -0.255 -3.856 -0.092 1.00 0.00 WT1 O ATOM 21110 H1 TIP3 7203 23.836 9.976 3.324 1.00 0.00 WT1 H ATOM 21111 H2 TIP3 7203 14.868 2.823 -1.772 1.00 0.00 WT1 H ATOM 21112 OH2 TIP3 7204 -4.313 7.468 2.592 1.00 0.00 WT1 O ATOM 21113 H1 TIP3 7204 7.628 11.836 13.568 1.00 0.00 WT1 H ATOM 21114 H2 TIP3 7204 -4.866 8.802 -28.616 1.00 0.00 WT1 H ATOM 21115 OH2 TIP3 7205 -2.084 0.138 2.818 1.00 0.00 WT1 O ATOM 21116 H1 TIP3 7205 10.072 -0.301 15.330 1.00 0.00 WT1 H ATOM 21117 H2 TIP3 7205 6.629 8.667 22.708 1.00 0.00 WT1 H ATOM 21118 OH2 TIP3 7206 -3.772 -5.751 -1.910 1.00 0.00 WT1 O ATOM 21119 H1 TIP3 7206 -4.519 -12.046 -3.757 1.00 0.00 WT1 H ATOM 21120 H2 TIP3 7206 -6.976 0.235 0.418 1.00 0.00 WT1 H ATOM 21121 OH2 TIP3 7207 -5.241 -6.682 -5.022 1.00 0.00 WT1 O ATOM 21122 H1 TIP3 7207 -9.464 -15.429 4.787 1.00 0.00 WT1 H ATOM 21123 H2 TIP3 7207 -14.961 -8.841 6.480 1.00 0.00 WT1 H ATOM 21124 OH2 TIP3 7208 -2.555 -5.797 -3.651 1.00 0.00 WT1 O ATOM 21125 H1 TIP3 7208 -31.180 -15.760 -5.653 1.00 0.00 WT1 H ATOM 21126 H2 TIP3 7208 9.527 -3.849 5.607 1.00 0.00 WT1 H ATOM 21127 OH2 TIP3 7209 -1.713 -0.642 -8.977 1.00 0.00 WT1 O ATOM 21128 H1 TIP3 7209 -0.113 4.566 8.374 1.00 0.00 WT1 H ATOM 21129 H2 TIP3 7209 -0.424 0.362 12.591 1.00 0.00 WT1 H ATOM 21130 OH2 TIP3 7210 -2.253 -0.997 2.923 1.00 0.00 WT1 O ATOM 21131 H1 TIP3 7210 -1.476 -0.289 -8.761 1.00 0.00 WT1 H ATOM 21132 H2 TIP3 7210 9.618 1.238 4.166 1.00 0.00 WT1 H ATOM 21133 OH2 TIP3 7211 3.787 6.175 -0.508 1.00 0.00 WT1 O ATOM 21134 H1 TIP3 7211 -0.967 -3.767 -0.302 1.00 0.00 WT1 H ATOM 21135 H2 TIP3 7211 13.097 -21.922 7.127 1.00 0.00 WT1 H ATOM 21136 OH2 TIP3 7212 4.456 1.718 -0.738 1.00 0.00 WT1 O ATOM 21137 H1 TIP3 7212 1.709 -12.199 -27.009 1.00 0.00 WT1 H ATOM 21138 H2 TIP3 7212 -21.645 6.470 -8.382 1.00 0.00 WT1 H ATOM 21139 OH2 TIP3 7213 2.321 7.583 -5.476 1.00 0.00 WT1 O ATOM 21140 H1 TIP3 7213 -5.085 2.630 -12.627 1.00 0.00 WT1 H ATOM 21141 H2 TIP3 7213 -19.452 -5.831 -14.473 1.00 0.00 WT1 H ATOM 21142 OH2 TIP3 7215 1.318 -2.964 -1.059 1.00 0.00 WT1 O ATOM 21143 H1 TIP3 7215 -5.202 -12.672 -0.030 1.00 0.00 WT1 H ATOM 21144 H2 TIP3 7215 3.626 4.641 0.210 1.00 0.00 WT1 H ATOM 21145 OH2 TIP3 7216 -0.977 6.014 -1.745 1.00 0.00 WT1 O ATOM 21146 H1 TIP3 7216 -11.590 -3.458 -8.398 1.00 0.00 WT1 H ATOM 21147 H2 TIP3 7216 -7.340 26.382 3.996 1.00 0.00 WT1 H ATOM 21148 OH2 TIP3 7217 1.440 3.431 -4.644 1.00 0.00 WT1 O ATOM 21149 H1 TIP3 7217 7.147 9.645 3.645 1.00 0.00 WT1 H ATOM 21150 H2 TIP3 7217 7.526 1.288 -12.840 1.00 0.00 WT1 H ATOM 21151 OH2 TIP3 7219 -2.195 6.538 -7.604 1.00 0.00 WT1 O ATOM 21152 H1 TIP3 7219 -9.606 -5.061 1.370 1.00 0.00 WT1 H ATOM 21153 H2 TIP3 7219 2.421 4.767 15.668 1.00 0.00 WT1 H ATOM 21154 OH2 TIP3 7220 -2.507 -0.579 -6.330 1.00 0.00 WT1 O ATOM 21155 H1 TIP3 7220 1.391 3.340 -27.858 1.00 0.00 WT1 H ATOM 21156 H2 TIP3 7220 11.167 4.499 -44.174 1.00 0.00 WT1 H ATOM 21157 OH2 TIP3 7221 0.678 5.903 4.541 1.00 0.00 WT1 O ATOM 21158 H1 TIP3 7221 -3.874 10.047 17.210 1.00 0.00 WT1 H ATOM 21159 H2 TIP3 7221 -0.366 3.584 -11.158 1.00 0.00 WT1 H ATOM 21160 OH2 TIP3 7222 0.344 -6.322 6.286 1.00 0.00 WT1 O ATOM 21161 H1 TIP3 7222 4.897 -2.055 -10.064 1.00 0.00 WT1 H ATOM 21162 H2 TIP3 7222 -0.039 -3.044 -3.607 1.00 0.00 WT1 H ATOM 21163 OH2 TIP3 7223 2.145 1.802 -0.879 1.00 0.00 WT1 O ATOM 21164 H1 TIP3 7223 7.273 0.839 3.062 1.00 0.00 WT1 H ATOM 21165 H2 TIP3 7223 8.753 -0.241 4.207 1.00 0.00 WT1 H ATOM 21166 OH2 TIP3 7224 0.417 -0.870 0.753 1.00 0.00 WT1 O ATOM 21167 H1 TIP3 7224 -5.675 -1.172 5.868 1.00 0.00 WT1 H ATOM 21168 H2 TIP3 7224 -1.491 -4.122 -4.383 1.00 0.00 WT1 H ATOM 21169 OH2 TIP3 7225 -1.781 -5.127 -0.558 1.00 0.00 WT1 O ATOM 21170 H1 TIP3 7225 -2.491 -9.918 7.469 1.00 0.00 WT1 H ATOM 21171 H2 TIP3 7225 3.979 10.262 -8.383 1.00 0.00 WT1 H ATOM 21172 OH2 TIP3 7226 7.827 6.004 -2.762 1.00 0.00 WT1 O ATOM 21173 H1 TIP3 7226 -5.271 15.110 -13.842 1.00 0.00 WT1 H ATOM 21174 H2 TIP3 7226 32.073 -11.678 19.111 1.00 0.00 WT1 H ATOM 21175 OH2 TIP3 7227 -0.583 0.979 3.448 1.00 0.00 WT1 O ATOM 21176 H1 TIP3 7227 -5.215 31.439 -16.752 1.00 0.00 WT1 H ATOM 21177 H2 TIP3 7227 -6.672 -22.956 -27.397 1.00 0.00 WT1 H ATOM 21178 OH2 TIP3 7228 5.635 -4.100 -1.924 1.00 0.00 WT1 O ATOM 21179 H1 TIP3 7228 9.399 -11.965 -3.947 1.00 0.00 WT1 H ATOM 21180 H2 TIP3 7228 -0.032 -2.689 -8.645 1.00 0.00 WT1 H ATOM 21181 OH2 TIP3 7229 -4.266 -1.014 0.725 1.00 0.00 WT1 O ATOM 21182 H1 TIP3 7229 -9.982 2.249 10.559 1.00 0.00 WT1 H ATOM 21183 H2 TIP3 7229 -5.973 -6.638 -0.621 1.00 0.00 WT1 H ATOM 21184 OH2 TIP3 7230 2.599 2.932 -5.824 1.00 0.00 WT1 O ATOM 21185 H1 TIP3 7230 8.965 -20.130 -2.684 1.00 0.00 WT1 H ATOM 21186 H2 TIP3 7230 -14.504 -17.415 18.529 1.00 0.00 WT1 H ATOM 21187 OH2 TIP3 7231 4.415 -2.488 2.595 1.00 0.00 WT1 O ATOM 21188 H1 TIP3 7231 2.032 8.381 -6.528 1.00 0.00 WT1 H ATOM 21189 H2 TIP3 7231 1.892 12.481 11.050 1.00 0.00 WT1 H ATOM 21190 OH2 TIP3 7232 -0.572 3.203 8.015 1.00 0.00 WT1 O ATOM 21191 H1 TIP3 7232 -6.162 19.113 6.166 1.00 0.00 WT1 H ATOM 21192 H2 TIP3 7232 -16.363 -11.193 0.811 1.00 0.00 WT1 H ATOM 21193 OH2 TIP3 7233 4.597 -3.491 -5.442 1.00 0.00 WT1 O ATOM 21194 H1 TIP3 7233 8.932 -8.396 0.102 1.00 0.00 WT1 H ATOM 21195 H2 TIP3 7233 4.506 -0.188 -13.525 1.00 0.00 WT1 H ATOM 21196 OH2 TIP3 7234 4.336 2.985 -10.416 1.00 0.00 WT1 O ATOM 21197 H1 TIP3 7234 13.475 7.607 1.244 1.00 0.00 WT1 H ATOM 21198 H2 TIP3 7234 -4.102 2.983 -25.740 1.00 0.00 WT1 H ATOM 21199 OH2 TIP3 7235 1.683 -3.134 -6.048 1.00 0.00 WT1 O ATOM 21200 H1 TIP3 7235 14.975 3.308 16.211 1.00 0.00 WT1 H ATOM 21201 H2 TIP3 7235 -2.120 -5.042 -10.115 1.00 0.00 WT1 H ATOM 21202 OH2 TIP3 7236 0.421 -3.732 1.464 1.00 0.00 WT1 O ATOM 21203 H1 TIP3 7236 -23.600 -12.564 3.259 1.00 0.00 WT1 H ATOM 21204 H2 TIP3 7236 4.995 -0.819 0.170 1.00 0.00 WT1 H ATOM 21205 OH2 TIP3 7237 -1.972 1.112 0.932 1.00 0.00 WT1 O ATOM 21206 H1 TIP3 7237 7.485 6.785 3.887 1.00 0.00 WT1 H ATOM 21207 H2 TIP3 7237 3.050 -4.731 -10.305 1.00 0.00 WT1 H ATOM 21208 OH2 TIP3 7238 1.430 -1.776 -2.131 1.00 0.00 WT1 O ATOM 21209 H1 TIP3 7238 19.483 10.277 0.948 1.00 0.00 WT1 H ATOM 21210 H2 TIP3 7238 -11.944 16.148 15.155 1.00 0.00 WT1 H ATOM 21211 OH2 TIP3 7239 5.643 5.313 2.852 1.00 0.00 WT1 O ATOM 21212 H1 TIP3 7239 2.938 23.689 1.443 1.00 0.00 WT1 H ATOM 21213 H2 TIP3 7239 5.664 -5.857 5.237 1.00 0.00 WT1 H ATOM 21214 OH2 TIP3 7240 1.366 1.436 8.020 1.00 0.00 WT1 O ATOM 21215 H1 TIP3 7240 -17.933 -1.681 12.705 1.00 0.00 WT1 H ATOM 21216 H2 TIP3 7240 5.020 -10.392 -9.553 1.00 0.00 WT1 H ATOM 21217 OH2 TIP3 7241 -2.713 4.842 7.414 1.00 0.00 WT1 O ATOM 21218 H1 TIP3 7241 -5.303 19.662 -6.249 1.00 0.00 WT1 H ATOM 21219 H2 TIP3 7241 2.146 -10.319 -13.135 1.00 0.00 WT1 H ATOM 21220 OH2 TIP3 7242 2.367 -5.435 9.769 1.00 0.00 WT1 O ATOM 21221 H1 TIP3 7242 -16.742 -1.816 3.986 1.00 0.00 WT1 H ATOM 21222 H2 TIP3 7242 19.078 -0.785 -9.004 1.00 0.00 WT1 H ATOM 21223 OH2 TIP3 7243 -0.589 2.680 -8.326 1.00 0.00 WT1 O ATOM 21224 H1 TIP3 7243 -4.749 -15.942 -14.390 1.00 0.00 WT1 H ATOM 21225 H2 TIP3 7243 -3.533 21.098 -22.051 1.00 0.00 WT1 H ATOM 21226 OH2 TIP3 7244 5.478 1.580 3.693 1.00 0.00 WT1 O ATOM 21227 H1 TIP3 7244 12.457 1.701 -8.280 1.00 0.00 WT1 H ATOM 21228 H2 TIP3 7244 11.997 4.022 15.037 1.00 0.00 WT1 H ATOM 21229 OH2 TIP3 7245 0.214 -2.089 -3.319 1.00 0.00 WT1 O ATOM 21230 H1 TIP3 7245 2.074 11.474 -22.341 1.00 0.00 WT1 H ATOM 21231 H2 TIP3 7245 19.498 6.167 0.830 1.00 0.00 WT1 H ATOM 21232 OH2 TIP3 7246 3.930 -4.374 3.071 1.00 0.00 WT1 O ATOM 21233 H1 TIP3 7246 -5.808 4.600 3.661 1.00 0.00 WT1 H ATOM 21234 H2 TIP3 7246 -17.567 15.078 16.649 1.00 0.00 WT1 H ATOM 21235 OH2 TIP3 7247 2.161 0.863 0.413 1.00 0.00 WT1 O ATOM 21236 H1 TIP3 7247 -7.953 10.727 -15.174 1.00 0.00 WT1 H ATOM 21237 H2 TIP3 7247 23.949 29.823 -3.920 1.00 0.00 WT1 H ATOM 21238 OH2 TIP3 7248 -1.128 2.454 -5.873 1.00 0.00 WT1 O ATOM 21239 H1 TIP3 7248 -22.162 8.935 2.700 1.00 0.00 WT1 H ATOM 21240 H2 TIP3 7248 -1.313 -0.939 -26.190 1.00 0.00 WT1 H ATOM 21241 OH2 TIP3 7249 -1.820 10.552 -2.037 1.00 0.00 WT1 O ATOM 21242 H1 TIP3 7249 -2.545 21.943 -20.316 1.00 0.00 WT1 H ATOM 21243 H2 TIP3 7249 21.707 12.331 -0.325 1.00 0.00 WT1 H ATOM 21244 OH2 TIP3 7250 -3.650 -3.615 -2.969 1.00 0.00 WT1 O ATOM 21245 H1 TIP3 7250 -4.940 -15.208 12.108 1.00 0.00 WT1 H ATOM 21246 H2 TIP3 7250 13.221 13.797 0.260 1.00 0.00 WT1 H ATOM 21247 OH2 TIP3 7251 2.030 -0.807 -1.344 1.00 0.00 WT1 O ATOM 21248 H1 TIP3 7251 -27.554 6.485 -1.321 1.00 0.00 WT1 H ATOM 21249 H2 TIP3 7251 3.861 4.595 -0.385 1.00 0.00 WT1 H ATOM 21250 OH2 TIP3 7252 3.399 1.302 -4.646 1.00 0.00 WT1 O ATOM 21251 H1 TIP3 7252 24.246 -15.270 -5.773 1.00 0.00 WT1 H ATOM 21252 H2 TIP3 7252 -18.167 -5.912 2.047 1.00 0.00 WT1 H ATOM 21253 OH2 TIP3 7253 0.805 -0.806 5.961 1.00 0.00 WT1 O ATOM 21254 H1 TIP3 7253 1.989 -12.112 13.023 1.00 0.00 WT1 H ATOM 21255 H2 TIP3 7253 5.352 1.827 -7.304 1.00 0.00 WT1 H ATOM 21256 OH2 TIP3 7254 -4.387 7.060 -3.148 1.00 0.00 WT1 O ATOM 21257 H1 TIP3 7254 -5.176 2.735 -9.294 1.00 0.00 WT1 H ATOM 21258 H2 TIP3 7254 -2.076 1.657 -0.156 1.00 0.00 WT1 H ATOM 21259 OH2 TIP3 7255 -6.971 -0.684 0.295 1.00 0.00 WT1 O ATOM 21260 H1 TIP3 7255 6.306 1.861 8.313 1.00 0.00 WT1 H ATOM 21261 H2 TIP3 7255 -7.744 6.226 9.788 1.00 0.00 WT1 H ATOM 21262 OH2 TIP3 7256 1.232 -1.015 -0.307 1.00 0.00 WT1 O ATOM 21263 H1 TIP3 7256 0.880 19.642 -1.435 1.00 0.00 WT1 H ATOM 21264 H2 TIP3 7256 -8.718 25.676 -0.405 1.00 0.00 WT1 H ATOM 21265 OH2 TIP3 7257 -0.243 -1.308 5.723 1.00 0.00 WT1 O ATOM 21266 H1 TIP3 7257 3.450 -21.171 5.647 1.00 0.00 WT1 H ATOM 21267 H2 TIP3 7257 9.406 -16.502 -11.874 1.00 0.00 WT1 H ATOM 21268 OH2 TIP3 7258 9.507 2.101 -5.173 1.00 0.00 WT1 O ATOM 21269 H1 TIP3 7258 4.279 10.762 -3.044 1.00 0.00 WT1 H ATOM 21270 H2 TIP3 7258 -3.063 12.110 -0.597 1.00 0.00 WT1 H ATOM 21271 OH2 TIP3 7259 -0.323 3.391 -0.225 1.00 0.00 WT1 O ATOM 21272 H1 TIP3 7259 7.140 0.944 -2.407 1.00 0.00 WT1 H ATOM 21273 H2 TIP3 7259 20.298 -11.307 -23.360 1.00 0.00 WT1 H ATOM 21274 OH2 TIP3 7260 -4.490 -2.770 1.717 1.00 0.00 WT1 O ATOM 21275 H1 TIP3 7260 -4.944 -5.978 -3.276 1.00 0.00 WT1 H ATOM 21276 H2 TIP3 7260 10.428 16.030 3.480 1.00 0.00 WT1 H ATOM 21277 OH2 TIP3 7261 -2.062 -3.089 -0.059 1.00 0.00 WT1 O ATOM 21278 H1 TIP3 7261 2.246 -4.268 -5.688 1.00 0.00 WT1 H ATOM 21279 H2 TIP3 7261 -8.325 -0.520 5.115 1.00 0.00 WT1 H ATOM 21280 OH2 TIP3 7264 -6.524 -0.151 -4.530 1.00 0.00 WT1 O ATOM 21281 H1 TIP3 7264 -17.014 14.535 -3.834 1.00 0.00 WT1 H ATOM 21282 H2 TIP3 7264 -14.710 -10.223 1.795 1.00 0.00 WT1 H ATOM 21283 OH2 TIP3 7265 0.316 -5.379 4.616 1.00 0.00 WT1 O ATOM 21284 H1 TIP3 7265 13.839 5.213 -12.865 1.00 0.00 WT1 H ATOM 21285 H2 TIP3 7265 21.034 -18.010 19.217 1.00 0.00 WT1 H ATOM 21286 OH2 TIP3 7266 -2.696 0.736 -2.646 1.00 0.00 WT1 O ATOM 21287 H1 TIP3 7266 -14.350 0.744 -13.619 1.00 0.00 WT1 H ATOM 21288 H2 TIP3 7266 4.879 17.303 2.062 1.00 0.00 WT1 H ATOM 21289 OH2 TIP3 7267 3.906 3.130 -3.682 1.00 0.00 WT1 O ATOM 21290 H1 TIP3 7267 9.311 25.858 -4.458 1.00 0.00 WT1 H ATOM 21291 H2 TIP3 7267 5.712 0.943 2.567 1.00 0.00 WT1 H ATOM 21292 OH2 TIP3 7268 4.887 -1.874 -1.899 1.00 0.00 WT1 O ATOM 21293 H1 TIP3 7268 -10.117 -11.466 -3.683 1.00 0.00 WT1 H ATOM 21294 H2 TIP3 7268 -1.433 -5.512 -1.966 1.00 0.00 WT1 H ATOM 21295 OH2 TIP3 7269 -10.251 2.350 -5.445 1.00 0.00 WT1 O ATOM 21296 H1 TIP3 7269 -6.020 3.798 -10.833 1.00 0.00 WT1 H ATOM 21297 H2 TIP3 7269 -10.572 0.995 1.245 1.00 0.00 WT1 H ATOM 21298 OH2 TIP3 7270 -4.185 1.232 -0.319 1.00 0.00 WT1 O ATOM 21299 H1 TIP3 7270 1.999 -10.157 11.187 1.00 0.00 WT1 H ATOM 21300 H2 TIP3 7270 4.490 -2.642 16.509 1.00 0.00 WT1 H ATOM 21301 OH2 TIP3 7271 -1.958 0.491 0.236 1.00 0.00 WT1 O ATOM 21302 H1 TIP3 7271 17.539 9.399 -5.038 1.00 0.00 WT1 H ATOM 21303 H2 TIP3 7271 -13.057 4.562 -4.108 1.00 0.00 WT1 H ATOM 21304 OH2 TIP3 7272 6.284 -2.614 -5.076 1.00 0.00 WT1 O ATOM 21305 H1 TIP3 7272 -9.373 -20.055 -6.174 1.00 0.00 WT1 H ATOM 21306 H2 TIP3 7272 16.874 0.725 -7.336 1.00 0.00 WT1 H ATOM 21307 OH2 TIP3 7273 3.873 -4.821 2.363 1.00 0.00 WT1 O ATOM 21308 H1 TIP3 7273 -4.362 0.413 5.087 1.00 0.00 WT1 H ATOM 21309 H2 TIP3 7273 -4.610 -5.704 -12.223 1.00 0.00 WT1 H ATOM 21310 OH2 TIP3 7275 -3.128 -1.893 1.603 1.00 0.00 WT1 O ATOM 21311 H1 TIP3 7275 -12.973 3.729 22.528 1.00 0.00 WT1 H ATOM 21312 H2 TIP3 7275 -9.697 21.354 6.866 1.00 0.00 WT1 H ATOM 21313 OH2 TIP3 7276 0.650 7.705 0.975 1.00 0.00 WT1 O ATOM 21314 H1 TIP3 7276 -1.174 -21.818 27.005 1.00 0.00 WT1 H ATOM 21315 H2 TIP3 7276 5.632 3.128 14.723 1.00 0.00 WT1 H ATOM 21316 OH2 TIP3 7277 -3.775 2.046 -3.814 1.00 0.00 WT1 O ATOM 21317 H1 TIP3 7277 -4.489 -10.566 15.152 1.00 0.00 WT1 H ATOM 21318 H2 TIP3 7277 -6.540 -6.248 10.094 1.00 0.00 WT1 H ATOM 21319 OH2 TIP3 7278 3.187 -2.259 -4.974 1.00 0.00 WT1 O ATOM 21320 H1 TIP3 7278 -11.046 1.930 1.130 1.00 0.00 WT1 H ATOM 21321 H2 TIP3 7278 14.860 4.217 10.699 1.00 0.00 WT1 H ATOM 21322 OH2 TIP3 7279 -0.562 -5.741 3.869 1.00 0.00 WT1 O ATOM 21323 H1 TIP3 7279 1.211 -12.865 12.679 1.00 0.00 WT1 H ATOM 21324 H2 TIP3 7279 -2.645 1.741 -6.337 1.00 0.00 WT1 H ATOM 21325 OH2 TIP3 7280 1.640 -3.018 6.136 1.00 0.00 WT1 O ATOM 21326 H1 TIP3 7280 8.830 -28.261 13.169 1.00 0.00 WT1 H ATOM 21327 H2 TIP3 7280 20.959 -5.161 23.278 1.00 0.00 WT1 H ATOM 21328 OH2 TIP3 7281 1.073 -0.041 -5.603 1.00 0.00 WT1 O ATOM 21329 H1 TIP3 7281 6.962 -1.073 -22.289 1.00 0.00 WT1 H ATOM 21330 H2 TIP3 7281 4.713 -2.486 -18.009 1.00 0.00 WT1 H ATOM 21331 OH2 TIP3 7282 6.785 -6.031 -3.615 1.00 0.00 WT1 O ATOM 21332 H1 TIP3 7282 28.426 20.273 -22.427 1.00 0.00 WT1 H ATOM 21333 H2 TIP3 7282 0.709 -26.725 -14.393 1.00 0.00 WT1 H ATOM 21334 OH2 TIP3 7283 3.530 0.308 0.135 1.00 0.00 WT1 O ATOM 21335 H1 TIP3 7283 -10.314 8.930 11.865 1.00 0.00 WT1 H ATOM 21336 H2 TIP3 7283 3.219 9.539 1.430 1.00 0.00 WT1 H ATOM 21337 OH2 TIP3 7284 0.440 3.358 1.872 1.00 0.00 WT1 O ATOM 21338 H1 TIP3 7284 -1.650 1.537 3.518 1.00 0.00 WT1 H ATOM 21339 H2 TIP3 7284 -0.564 21.030 -0.199 1.00 0.00 WT1 H ATOM 21340 OH2 TIP3 7285 -0.106 2.229 1.243 1.00 0.00 WT1 O ATOM 21341 H1 TIP3 7285 3.908 20.124 10.412 1.00 0.00 WT1 H ATOM 21342 H2 TIP3 7285 35.486 8.786 4.890 1.00 0.00 WT1 H ATOM 21343 OH2 TIP3 7286 -1.557 -2.249 -2.770 1.00 0.00 WT1 O ATOM 21344 H1 TIP3 7286 8.957 3.866 1.452 1.00 0.00 WT1 H ATOM 21345 H2 TIP3 7286 6.158 2.563 -0.663 1.00 0.00 WT1 H ATOM 21346 OH2 TIP3 7287 -3.182 -2.391 0.957 1.00 0.00 WT1 O ATOM 21347 H1 TIP3 7287 -7.752 -5.475 -0.263 1.00 0.00 WT1 H ATOM 21348 H2 TIP3 7287 -4.928 9.856 3.136 1.00 0.00 WT1 H ATOM 21349 OH2 TIP3 7288 -4.379 7.834 -0.550 1.00 0.00 WT1 O ATOM 21350 H1 TIP3 7288 12.256 -2.564 24.493 1.00 0.00 WT1 H ATOM 21351 H2 TIP3 7288 -26.833 21.583 11.144 1.00 0.00 WT1 H ATOM 21352 OH2 TIP3 7289 -3.436 5.819 -8.059 1.00 0.00 WT1 O ATOM 21353 H1 TIP3 7289 14.225 3.457 -8.030 1.00 0.00 WT1 H ATOM 21354 H2 TIP3 7289 -8.673 12.316 -17.800 1.00 0.00 WT1 H ATOM 21355 OH2 TIP3 7290 0.205 -5.027 -0.486 1.00 0.00 WT1 O ATOM 21356 H1 TIP3 7290 -14.674 -6.321 15.275 1.00 0.00 WT1 H ATOM 21357 H2 TIP3 7290 0.798 15.560 -4.927 1.00 0.00 WT1 H ATOM 21358 OH2 TIP3 7291 4.377 6.480 -1.366 1.00 0.00 WT1 O ATOM 21359 H1 TIP3 7291 2.776 -3.363 4.318 1.00 0.00 WT1 H ATOM 21360 H2 TIP3 7291 10.523 10.711 1.830 1.00 0.00 WT1 H ATOM 21361 OH2 TIP3 7293 -0.366 4.434 2.378 1.00 0.00 WT1 O ATOM 21362 H1 TIP3 7293 -1.861 4.384 -1.980 1.00 0.00 WT1 H ATOM 21363 H2 TIP3 7293 37.407 -14.051 -8.458 1.00 0.00 WT1 H ATOM 21364 OH2 TIP3 7294 5.692 -8.999 2.869 1.00 0.00 WT1 O ATOM 21365 H1 TIP3 7294 4.924 -7.658 10.259 1.00 0.00 WT1 H ATOM 21366 H2 TIP3 7294 -2.251 -4.178 6.449 1.00 0.00 WT1 H ATOM 21367 OH2 TIP3 7295 -0.329 -8.319 5.210 1.00 0.00 WT1 O ATOM 21368 H1 TIP3 7295 1.467 -10.743 16.901 1.00 0.00 WT1 H ATOM 21369 H2 TIP3 7295 -10.095 -1.209 5.341 1.00 0.00 WT1 H ATOM 21370 OH2 TIP3 7297 7.001 3.837 -0.582 1.00 0.00 WT1 O ATOM 21371 H1 TIP3 7297 8.905 8.378 2.180 1.00 0.00 WT1 H ATOM 21372 H2 TIP3 7297 -1.170 -0.907 -9.898 1.00 0.00 WT1 H ATOM 21373 OH2 TIP3 7298 -6.779 4.700 -3.471 1.00 0.00 WT1 O ATOM 21374 H1 TIP3 7298 15.496 -4.024 11.445 1.00 0.00 WT1 H ATOM 21375 H2 TIP3 7298 -13.205 7.282 -5.110 1.00 0.00 WT1 H ATOM 21376 OH2 TIP3 7299 -2.785 0.785 -5.851 1.00 0.00 WT1 O ATOM 21377 H1 TIP3 7299 -1.126 -10.782 5.277 1.00 0.00 WT1 H ATOM 21378 H2 TIP3 7299 31.713 -9.804 6.542 1.00 0.00 WT1 H ATOM 21379 OH2 TIP3 7300 -3.293 0.908 -0.451 1.00 0.00 WT1 O ATOM 21380 H1 TIP3 7300 5.665 -8.626 0.784 1.00 0.00 WT1 H ATOM 21381 H2 TIP3 7300 -7.504 -7.503 -9.589 1.00 0.00 WT1 H ATOM 21382 OH2 TIP3 7301 3.541 1.055 0.869 1.00 0.00 WT1 O ATOM 21383 H1 TIP3 7301 6.063 -0.073 0.356 1.00 0.00 WT1 H ATOM 21384 H2 TIP3 7301 -13.114 5.413 2.262 1.00 0.00 WT1 H ATOM 21385 OH2 TIP3 7302 3.971 -5.399 1.029 1.00 0.00 WT1 O ATOM 21386 H1 TIP3 7302 -0.022 -1.419 4.854 1.00 0.00 WT1 H ATOM 21387 H2 TIP3 7302 -17.002 -5.168 -6.576 1.00 0.00 WT1 H ATOM 21388 OH2 TIP3 7304 -4.031 0.567 2.249 1.00 0.00 WT1 O ATOM 21389 H1 TIP3 7304 6.100 -2.225 -2.556 1.00 0.00 WT1 H ATOM 21390 H2 TIP3 7304 19.780 -1.862 -3.233 1.00 0.00 WT1 H ATOM 21391 OH2 TIP3 7305 0.019 1.419 -0.412 1.00 0.00 WT1 O ATOM 21392 H1 TIP3 7305 -23.983 -1.561 -2.752 1.00 0.00 WT1 H ATOM 21393 H2 TIP3 7305 -36.460 -28.991 37.401 1.00 0.00 WT1 H ATOM 21394 OH2 TIP3 7306 1.482 0.839 3.232 1.00 0.00 WT1 O ATOM 21395 H1 TIP3 7306 -11.020 -20.467 -15.828 1.00 0.00 WT1 H ATOM 21396 H2 TIP3 7306 -2.546 -4.662 -1.341 1.00 0.00 WT1 H ATOM 21397 OH2 TIP3 7307 -4.320 0.229 -1.377 1.00 0.00 WT1 O ATOM 21398 H1 TIP3 7307 -15.614 -5.820 17.559 1.00 0.00 WT1 H ATOM 21399 H2 TIP3 7307 -9.231 -12.840 9.369 1.00 0.00 WT1 H ATOM 21400 OH2 TIP3 7309 7.337 -4.557 3.962 1.00 0.00 WT1 O ATOM 21401 H1 TIP3 7309 -26.103 -14.337 2.095 1.00 0.00 WT1 H ATOM 21402 H2 TIP3 7309 16.003 -2.812 4.188 1.00 0.00 WT1 H ATOM 21403 OH2 TIP3 7310 -0.641 -1.907 6.443 1.00 0.00 WT1 O ATOM 21404 H1 TIP3 7310 4.261 0.125 -0.634 1.00 0.00 WT1 H ATOM 21405 H2 TIP3 7310 -9.080 -6.338 16.605 1.00 0.00 WT1 H ATOM 21406 OH2 TIP3 7312 -2.529 3.225 -9.704 1.00 0.00 WT1 O ATOM 21407 H1 TIP3 7312 -2.848 3.383 -10.762 1.00 0.00 WT1 H ATOM 21408 H2 TIP3 7312 -1.495 2.923 -9.222 1.00 0.00 WT1 H ATOM 21409 OH2 TIP3 7313 2.626 -7.733 -0.321 1.00 0.00 WT1 O ATOM 21410 H1 TIP3 7313 11.734 12.509 22.604 1.00 0.00 WT1 H ATOM 21411 H2 TIP3 7313 17.832 -0.574 -5.981 1.00 0.00 WT1 H ATOM 21412 OH2 TIP3 7314 4.901 1.597 -1.833 1.00 0.00 WT1 O ATOM 21413 H1 TIP3 7314 4.072 -6.007 20.344 1.00 0.00 WT1 H ATOM 21414 H2 TIP3 7314 -10.861 3.374 -20.574 1.00 0.00 WT1 H ATOM 21415 OH2 TIP3 7315 -1.084 -0.671 -1.007 1.00 0.00 WT1 O ATOM 21416 H1 TIP3 7315 6.474 10.498 -0.677 1.00 0.00 WT1 H ATOM 21417 H2 TIP3 7315 6.830 -12.756 1.788 1.00 0.00 WT1 H ATOM 21418 OH2 TIP3 7318 2.627 4.931 9.784 1.00 0.00 WT1 O ATOM 21419 H1 TIP3 7318 8.290 7.606 3.174 1.00 0.00 WT1 H ATOM 21420 H2 TIP3 7318 0.606 6.141 18.718 1.00 0.00 WT1 H ATOM 21421 OH2 TIP3 7319 1.246 1.849 -2.276 1.00 0.00 WT1 O ATOM 21422 H1 TIP3 7319 -3.343 1.276 -5.794 1.00 0.00 WT1 H ATOM 21423 H2 TIP3 7319 -4.852 -0.300 -2.661 1.00 0.00 WT1 H ATOM 21424 OH2 TIP3 7320 -1.850 2.546 -2.214 1.00 0.00 WT1 O ATOM 21425 H1 TIP3 7320 12.779 -8.773 -9.556 1.00 0.00 WT1 H ATOM 21426 H2 TIP3 7320 5.906 18.047 -6.866 1.00 0.00 WT1 H ATOM 21427 OH2 TIP3 7322 -3.000 -0.990 -4.515 1.00 0.00 WT1 O ATOM 21428 H1 TIP3 7322 -0.968 11.197 10.718 1.00 0.00 WT1 H ATOM 21429 H2 TIP3 7322 -7.580 16.598 -18.834 1.00 0.00 WT1 H ATOM 21430 OH2 TIP3 7323 -3.319 1.121 2.397 1.00 0.00 WT1 O ATOM 21431 H1 TIP3 7323 -2.958 -4.442 2.321 1.00 0.00 WT1 H ATOM 21432 H2 TIP3 7323 1.446 -4.103 3.545 1.00 0.00 WT1 H ATOM 21433 OH2 TIP3 7324 0.270 0.117 1.021 1.00 0.00 WT1 O ATOM 21434 H1 TIP3 7324 -8.050 0.783 -11.121 1.00 0.00 WT1 H ATOM 21435 H2 TIP3 7324 -0.570 0.075 12.801 1.00 0.00 WT1 H ATOM 21436 OH2 TIP3 7325 -3.403 -2.587 0.063 1.00 0.00 WT1 O ATOM 21437 H1 TIP3 7325 -12.955 -5.414 -4.089 1.00 0.00 WT1 H ATOM 21438 H2 TIP3 7325 3.526 -12.675 6.002 1.00 0.00 WT1 H ATOM 21439 OH2 TIP3 7326 -0.565 2.793 -2.479 1.00 0.00 WT1 O ATOM 21440 H1 TIP3 7326 -11.050 0.003 -3.204 1.00 0.00 WT1 H ATOM 21441 H2 TIP3 7326 2.904 3.709 -0.620 1.00 0.00 WT1 H ATOM 21442 OH2 TIP3 7328 6.633 0.530 9.843 1.00 0.00 WT1 O ATOM 21443 H1 TIP3 7328 -0.679 -0.836 5.990 1.00 0.00 WT1 H ATOM 21444 H2 TIP3 7328 6.691 8.123 7.741 1.00 0.00 WT1 H ATOM 21445 OH2 TIP3 7329 1.111 -2.610 2.243 1.00 0.00 WT1 O ATOM 21446 H1 TIP3 7329 -3.136 14.747 -0.594 1.00 0.00 WT1 H ATOM 21447 H2 TIP3 7329 11.585 4.120 -4.730 1.00 0.00 WT1 H ATOM 21448 OH2 TIP3 7330 0.025 -2.114 2.315 1.00 0.00 WT1 O ATOM 21449 H1 TIP3 7330 4.296 -0.555 3.297 1.00 0.00 WT1 H ATOM 21450 H2 TIP3 7330 19.698 7.373 -13.767 1.00 0.00 WT1 H ATOM 21451 OH2 TIP3 7331 1.923 0.342 -6.129 1.00 0.00 WT1 O ATOM 21452 H1 TIP3 7331 -3.856 -14.237 -12.074 1.00 0.00 WT1 H ATOM 21453 H2 TIP3 7331 11.631 -4.426 3.457 1.00 0.00 WT1 H ATOM 21454 OH2 TIP3 7332 -1.723 -3.726 0.137 1.00 0.00 WT1 O ATOM 21455 H1 TIP3 7332 2.271 -3.276 -3.041 1.00 0.00 WT1 H ATOM 21456 H2 TIP3 7332 2.901 -14.027 6.405 1.00 0.00 WT1 H ATOM 21457 OH2 TIP3 7333 1.502 -2.209 3.004 1.00 0.00 WT1 O ATOM 21458 H1 TIP3 7333 4.069 0.087 -12.193 1.00 0.00 WT1 H ATOM 21459 H2 TIP3 7333 18.076 3.867 9.413 1.00 0.00 WT1 H ATOM 21460 OH2 TIP3 7334 -3.033 0.247 3.227 1.00 0.00 WT1 O ATOM 21461 H1 TIP3 7334 6.945 -1.406 24.923 1.00 0.00 WT1 H ATOM 21462 H2 TIP3 7334 -7.241 -1.991 11.652 1.00 0.00 WT1 H ATOM 21463 OH2 TIP3 7335 -5.176 -0.823 -6.537 1.00 0.00 WT1 O ATOM 21464 H1 TIP3 7335 -16.186 -5.008 -7.915 1.00 0.00 WT1 H ATOM 21465 H2 TIP3 7335 -17.034 -4.660 -6.943 1.00 0.00 WT1 H ATOM 21466 OH2 TIP3 7336 2.446 -3.751 5.677 1.00 0.00 WT1 O ATOM 21467 H1 TIP3 7336 0.450 4.684 -7.392 1.00 0.00 WT1 H ATOM 21468 H2 TIP3 7336 3.603 -3.122 23.972 1.00 0.00 WT1 H ATOM 21469 OH2 TIP3 7337 3.473 -2.895 0.716 1.00 0.00 WT1 O ATOM 21470 H1 TIP3 7337 -3.455 -13.059 -12.652 1.00 0.00 WT1 H ATOM 21471 H2 TIP3 7337 9.738 -17.637 4.355 1.00 0.00 WT1 H ATOM 21472 OH2 TIP3 7338 -4.381 -0.209 3.499 1.00 0.00 WT1 O ATOM 21473 H1 TIP3 7338 -26.677 -16.851 10.280 1.00 0.00 WT1 H ATOM 21474 H2 TIP3 7338 5.101 -6.002 5.639 1.00 0.00 WT1 H ATOM 21475 OH2 TIP3 7339 -5.048 0.472 -6.842 1.00 0.00 WT1 O ATOM 21476 H1 TIP3 7339 16.615 -28.624 -10.272 1.00 0.00 WT1 H ATOM 21477 H2 TIP3 7339 14.223 13.008 23.565 1.00 0.00 WT1 H ATOM 21478 OH2 TIP3 7340 6.183 -0.599 3.661 1.00 0.00 WT1 O ATOM 21479 H1 TIP3 7340 15.523 -35.117 5.978 1.00 0.00 WT1 H ATOM 21480 H2 TIP3 7340 -10.175 11.709 1.286 1.00 0.00 WT1 H ATOM 21481 OH2 TIP3 7342 2.083 -3.527 1.164 1.00 0.00 WT1 O ATOM 21482 H1 TIP3 7342 11.016 -7.855 9.162 1.00 0.00 WT1 H ATOM 21483 H2 TIP3 7342 8.610 -7.956 6.943 1.00 0.00 WT1 H ATOM 21484 OH2 TIP3 7343 1.357 -5.922 0.148 1.00 0.00 WT1 O ATOM 21485 H1 TIP3 7343 -4.900 -1.369 -8.593 1.00 0.00 WT1 H ATOM 21486 H2 TIP3 7343 1.956 -4.321 -2.613 1.00 0.00 WT1 H ATOM 21487 OH2 TIP3 7344 2.551 -5.070 1.690 1.00 0.00 WT1 O ATOM 21488 H1 TIP3 7344 -2.655 -14.504 -5.503 1.00 0.00 WT1 H ATOM 21489 H2 TIP3 7344 -7.741 -19.531 -4.600 1.00 0.00 WT1 H ATOM 21490 OH2 TIP3 7346 5.461 5.196 3.568 1.00 0.00 WT1 O ATOM 21491 H1 TIP3 7346 0.098 -0.862 -6.013 1.00 0.00 WT1 H ATOM 21492 H2 TIP3 7346 9.163 13.190 12.110 1.00 0.00 WT1 H ATOM 21493 OH2 TIP3 7348 -4.400 -4.848 -9.138 1.00 0.00 WT1 O ATOM 21494 H1 TIP3 7348 16.457 -2.999 -25.463 1.00 0.00 WT1 H ATOM 21495 H2 TIP3 7348 -5.930 -4.381 -9.378 1.00 0.00 WT1 H ATOM 21496 OH2 TIP3 7350 3.509 -2.320 -2.257 1.00 0.00 WT1 O ATOM 21497 H1 TIP3 7350 -4.187 -15.286 8.027 1.00 0.00 WT1 H ATOM 21498 H2 TIP3 7350 -4.611 -23.471 5.101 1.00 0.00 WT1 H ATOM 21499 OH2 TIP3 7351 -7.384 2.401 -0.652 1.00 0.00 WT1 O ATOM 21500 H1 TIP3 7351 6.679 0.699 28.941 1.00 0.00 WT1 H ATOM 21501 H2 TIP3 7351 8.237 19.359 -35.195 1.00 0.00 WT1 H ATOM 21502 OH2 TIP3 7352 -4.233 3.125 -2.418 1.00 0.00 WT1 O ATOM 21503 H1 TIP3 7352 -7.565 -3.711 -2.763 1.00 0.00 WT1 H ATOM 21504 H2 TIP3 7352 -8.373 0.939 -1.858 1.00 0.00 WT1 H ATOM 21505 OH2 TIP3 7353 0.696 2.193 1.897 1.00 0.00 WT1 O ATOM 21506 H1 TIP3 7353 11.745 -0.043 12.795 1.00 0.00 WT1 H ATOM 21507 H2 TIP3 7353 7.296 -0.480 -12.588 1.00 0.00 WT1 H ATOM 21508 OH2 TIP3 7354 -0.575 7.185 2.612 1.00 0.00 WT1 O ATOM 21509 H1 TIP3 7354 -2.082 4.228 5.733 1.00 0.00 WT1 H ATOM 21510 H2 TIP3 7354 1.193 0.027 6.438 1.00 0.00 WT1 H ATOM 21511 OH2 TIP3 7355 2.937 -5.490 -1.440 1.00 0.00 WT1 O ATOM 21512 H1 TIP3 7355 10.629 17.624 -10.230 1.00 0.00 WT1 H ATOM 21513 H2 TIP3 7355 3.799 9.738 5.291 1.00 0.00 WT1 H ATOM 21514 OH2 TIP3 7356 -2.165 -0.897 0.084 1.00 0.00 WT1 O ATOM 21515 H1 TIP3 7356 -1.006 -1.978 15.215 1.00 0.00 WT1 H ATOM 21516 H2 TIP3 7356 -8.170 7.238 -10.888 1.00 0.00 WT1 H ATOM 21517 OH2 TIP3 7357 5.048 -4.495 -5.802 1.00 0.00 WT1 O ATOM 21518 H1 TIP3 7357 13.279 -5.934 -2.455 1.00 0.00 WT1 H ATOM 21519 H2 TIP3 7357 26.416 -16.838 -7.826 1.00 0.00 WT1 H ATOM 21520 OH2 TIP3 7358 -1.306 -3.686 -3.335 1.00 0.00 WT1 O ATOM 21521 H1 TIP3 7358 4.421 8.335 12.287 1.00 0.00 WT1 H ATOM 21522 H2 TIP3 7358 -24.401 8.614 9.321 1.00 0.00 WT1 H ATOM 21523 OH2 TIP3 7359 -1.710 1.653 -0.893 1.00 0.00 WT1 O ATOM 21524 H1 TIP3 7359 -9.626 32.328 13.764 1.00 0.00 WT1 H ATOM 21525 H2 TIP3 7359 8.600 2.154 -2.947 1.00 0.00 WT1 H ATOM 21526 OH2 TIP3 7360 2.505 -3.613 2.559 1.00 0.00 WT1 O ATOM 21527 H1 TIP3 7360 -10.388 -12.012 1.792 1.00 0.00 WT1 H ATOM 21528 H2 TIP3 7360 -3.900 8.670 8.668 1.00 0.00 WT1 H ATOM 21529 OH2 TIP3 7362 -3.544 2.196 0.313 1.00 0.00 WT1 O ATOM 21530 H1 TIP3 7362 -6.439 5.027 1.417 1.00 0.00 WT1 H ATOM 21531 H2 TIP3 7362 5.403 -8.275 -1.432 1.00 0.00 WT1 H ATOM 21532 OH2 TIP3 7363 -1.207 -4.930 -2.757 1.00 0.00 WT1 O ATOM 21533 H1 TIP3 7363 -1.679 -5.793 -6.643 1.00 0.00 WT1 H ATOM 21534 H2 TIP3 7363 3.941 -1.114 28.412 1.00 0.00 WT1 H ATOM 21535 OH2 TIP3 7364 0.948 -1.360 1.751 1.00 0.00 WT1 O ATOM 21536 H1 TIP3 7364 -9.877 -13.266 9.875 1.00 0.00 WT1 H ATOM 21537 H2 TIP3 7364 10.498 -13.912 7.288 1.00 0.00 WT1 H ATOM 21538 OH2 TIP3 7365 0.660 1.168 2.541 1.00 0.00 WT1 O ATOM 21539 H1 TIP3 7365 11.441 -3.980 -7.555 1.00 0.00 WT1 H ATOM 21540 H2 TIP3 7365 -0.393 5.081 -0.004 1.00 0.00 WT1 H ATOM 21541 OH2 TIP3 7366 -0.083 3.804 6.067 1.00 0.00 WT1 O ATOM 21542 H1 TIP3 7366 -6.207 22.271 16.549 1.00 0.00 WT1 H ATOM 21543 H2 TIP3 7366 -1.055 -22.377 17.768 1.00 0.00 WT1 H ATOM 21544 OH2 TIP3 7367 -4.465 3.705 4.074 1.00 0.00 WT1 O ATOM 21545 H1 TIP3 7367 8.985 10.181 12.704 1.00 0.00 WT1 H ATOM 21546 H2 TIP3 7367 -6.745 -19.711 2.186 1.00 0.00 WT1 H ATOM 21547 OH2 TIP3 7369 1.928 -7.660 -1.532 1.00 0.00 WT1 O ATOM 21548 H1 TIP3 7369 0.080 -0.550 6.544 1.00 0.00 WT1 H ATOM 21549 H2 TIP3 7369 -21.037 9.622 -15.632 1.00 0.00 WT1 H ATOM 21550 OH2 TIP3 7370 -3.369 -0.577 0.773 1.00 0.00 WT1 O ATOM 21551 H1 TIP3 7370 -5.288 5.178 8.708 1.00 0.00 WT1 H ATOM 21552 H2 TIP3 7370 -6.559 -0.751 -0.765 1.00 0.00 WT1 H ATOM 21553 OH2 TIP3 7371 0.871 3.444 -0.689 1.00 0.00 WT1 O ATOM 21554 H1 TIP3 7371 -13.747 -2.924 -20.593 1.00 0.00 WT1 H ATOM 21555 H2 TIP3 7371 3.137 -9.806 6.860 1.00 0.00 WT1 H ATOM 21556 OH2 TIP3 7372 -6.503 -0.159 -1.162 1.00 0.00 WT1 O ATOM 21557 H1 TIP3 7372 -23.835 -1.708 -16.009 1.00 0.00 WT1 H ATOM 21558 H2 TIP3 7372 -15.181 -6.028 -0.074 1.00 0.00 WT1 H ATOM 21559 OH2 TIP3 7373 -4.075 -2.322 3.941 1.00 0.00 WT1 O ATOM 21560 H1 TIP3 7373 1.376 8.377 27.365 1.00 0.00 WT1 H ATOM 21561 H2 TIP3 7373 1.077 1.796 -21.166 1.00 0.00 WT1 H ATOM 21562 OH2 TIP3 7374 -2.148 -3.436 5.794 1.00 0.00 WT1 O ATOM 21563 H1 TIP3 7374 -9.228 -6.547 9.554 1.00 0.00 WT1 H ATOM 21564 H2 TIP3 7374 2.876 -6.330 3.956 1.00 0.00 WT1 H ATOM 21565 OH2 TIP3 7376 -11.982 -8.105 10.233 1.00 0.00 WT1 O ATOM 21566 H1 TIP3 7376 -5.403 -17.458 -3.720 1.00 0.00 WT1 H ATOM 21567 H2 TIP3 7376 -10.440 -14.278 5.136 1.00 0.00 WT1 H ATOM 21568 OH2 TIP3 7378 3.053 -2.189 0.622 1.00 0.00 WT1 O ATOM 21569 H1 TIP3 7378 7.973 13.936 -14.893 1.00 0.00 WT1 H ATOM 21570 H2 TIP3 7378 1.325 20.459 3.680 1.00 0.00 WT1 H ATOM 21571 OH2 TIP3 7379 -5.372 -9.719 2.936 1.00 0.00 WT1 O ATOM 21572 H1 TIP3 7379 20.839 2.643 -5.667 1.00 0.00 WT1 H ATOM 21573 H2 TIP3 7379 -3.768 -14.157 -5.412 1.00 0.00 WT1 H ATOM 21574 OH2 TIP3 7380 1.180 -4.341 3.459 1.00 0.00 WT1 O ATOM 21575 H1 TIP3 7380 1.924 -21.761 22.979 1.00 0.00 WT1 H ATOM 21576 H2 TIP3 7380 -0.557 -15.196 10.413 1.00 0.00 WT1 H ATOM 21577 OH2 TIP3 7381 -2.524 -0.532 -2.199 1.00 0.00 WT1 O ATOM 21578 H1 TIP3 7381 0.785 0.036 -8.817 1.00 0.00 WT1 H ATOM 21579 H2 TIP3 7381 0.030 -4.976 1.235 1.00 0.00 WT1 H ATOM 21580 OH2 TIP3 7382 -2.886 1.595 -2.694 1.00 0.00 WT1 O ATOM 21581 H1 TIP3 7382 -6.119 9.473 1.961 1.00 0.00 WT1 H ATOM 21582 H2 TIP3 7382 -6.270 -7.131 -8.263 1.00 0.00 WT1 H ATOM 21583 OH2 TIP3 7383 1.180 5.291 5.747 1.00 0.00 WT1 O ATOM 21584 H1 TIP3 7383 1.765 2.831 -3.920 1.00 0.00 WT1 H ATOM 21585 H2 TIP3 7383 -5.130 8.745 8.402 1.00 0.00 WT1 H ATOM 21586 OH2 TIP3 7384 2.002 -10.631 0.407 1.00 0.00 WT1 O ATOM 21587 H1 TIP3 7384 1.212 -20.289 -4.227 1.00 0.00 WT1 H ATOM 21588 H2 TIP3 7384 -11.287 -17.477 -12.531 1.00 0.00 WT1 H ATOM 21589 OH2 TIP3 7385 -2.096 1.425 5.228 1.00 0.00 WT1 O ATOM 21590 H1 TIP3 7385 9.238 7.597 -10.070 1.00 0.00 WT1 H ATOM 21591 H2 TIP3 7385 7.362 1.735 8.089 1.00 0.00 WT1 H ATOM 21592 OH2 TIP3 7387 2.370 0.028 -0.156 1.00 0.00 WT1 O ATOM 21593 H1 TIP3 7387 0.335 12.050 -12.837 1.00 0.00 WT1 H ATOM 21594 H2 TIP3 7387 -9.228 18.380 -21.152 1.00 0.00 WT1 H ATOM 21595 OH2 TIP3 7388 3.604 -0.185 3.287 1.00 0.00 WT1 O ATOM 21596 H1 TIP3 7388 15.009 14.794 -1.738 1.00 0.00 WT1 H ATOM 21597 H2 TIP3 7388 -0.877 -4.834 5.240 1.00 0.00 WT1 H ATOM 21598 OH2 TIP3 7389 6.618 -2.050 7.393 1.00 0.00 WT1 O ATOM 21599 H1 TIP3 7389 22.570 -3.358 -17.622 1.00 0.00 WT1 H ATOM 21600 H2 TIP3 7389 -12.878 -2.888 10.522 1.00 0.00 WT1 H ATOM 21601 OH2 TIP3 7390 -0.974 -3.220 1.844 1.00 0.00 WT1 O ATOM 21602 H1 TIP3 7390 6.332 -1.944 0.815 1.00 0.00 WT1 H ATOM 21603 H2 TIP3 7390 13.000 -11.120 -8.940 1.00 0.00 WT1 H ATOM 21604 OH2 TIP3 7391 -6.542 2.640 1.851 1.00 0.00 WT1 O ATOM 21605 H1 TIP3 7391 -13.249 2.660 7.649 1.00 0.00 WT1 H ATOM 21606 H2 TIP3 7391 3.060 -4.898 -6.189 1.00 0.00 WT1 H ATOM 21607 OH2 TIP3 7392 -3.000 1.458 -3.754 1.00 0.00 WT1 O ATOM 21608 H1 TIP3 7392 15.771 -9.320 3.960 1.00 0.00 WT1 H ATOM 21609 H2 TIP3 7392 14.341 12.100 -3.566 1.00 0.00 WT1 H ATOM 21610 OH2 TIP3 7393 -4.875 -6.179 1.830 1.00 0.00 WT1 O ATOM 21611 H1 TIP3 7393 -19.760 -23.405 -21.081 1.00 0.00 WT1 H ATOM 21612 H2 TIP3 7393 -0.278 -33.236 19.848 1.00 0.00 WT1 H ATOM 21613 OH2 TIP3 7394 -1.194 5.679 0.080 1.00 0.00 WT1 O ATOM 21614 H1 TIP3 7394 -0.408 -11.255 6.914 1.00 0.00 WT1 H ATOM 21615 H2 TIP3 7394 -3.663 24.545 -12.690 1.00 0.00 WT1 H ATOM 21616 OH2 TIP3 7395 -3.579 -2.036 2.847 1.00 0.00 WT1 O ATOM 21617 H1 TIP3 7395 21.577 4.089 -5.044 1.00 0.00 WT1 H ATOM 21618 H2 TIP3 7395 -0.465 -13.242 -2.141 1.00 0.00 WT1 H ATOM 21619 OH2 TIP3 7396 -1.704 -6.702 -2.891 1.00 0.00 WT1 O ATOM 21620 H1 TIP3 7396 -8.312 -2.947 -2.321 1.00 0.00 WT1 H ATOM 21621 H2 TIP3 7396 32.445 -29.569 -17.005 1.00 0.00 WT1 H ATOM 21622 OH2 TIP3 7397 2.577 8.428 -2.222 1.00 0.00 WT1 O ATOM 21623 H1 TIP3 7397 4.563 12.004 0.297 1.00 0.00 WT1 H ATOM 21624 H2 TIP3 7397 -8.368 -5.287 1.715 1.00 0.00 WT1 H ATOM 21625 OH2 TIP3 7398 6.444 -5.629 -0.343 1.00 0.00 WT1 O ATOM 21626 H1 TIP3 7398 9.882 -5.079 -1.078 1.00 0.00 WT1 H ATOM 21627 H2 TIP3 7398 -11.726 1.230 -5.758 1.00 0.00 WT1 H ATOM 21628 OH2 TIP3 7399 -5.585 13.205 -5.564 1.00 0.00 WT1 O ATOM 21629 H1 TIP3 7399 8.387 -0.374 9.876 1.00 0.00 WT1 H ATOM 21630 H2 TIP3 7399 10.896 26.501 -17.627 1.00 0.00 WT1 H ATOM 21631 OH2 TIP3 7400 -1.463 3.701 3.124 1.00 0.00 WT1 O ATOM 21632 H1 TIP3 7400 0.346 3.059 -13.272 1.00 0.00 WT1 H ATOM 21633 H2 TIP3 7400 0.577 3.470 -13.260 1.00 0.00 WT1 H ATOM 21634 OH2 TIP3 7401 -0.150 -4.799 1.078 1.00 0.00 WT1 O ATOM 21635 H1 TIP3 7401 -6.273 -3.168 -3.981 1.00 0.00 WT1 H ATOM 21636 H2 TIP3 7401 -11.349 -13.215 -7.260 1.00 0.00 WT1 H ATOM 21637 OH2 TIP3 7403 -2.843 3.156 1.207 1.00 0.00 WT1 O ATOM 21638 H1 TIP3 7403 -5.790 14.257 6.828 1.00 0.00 WT1 H ATOM 21639 H2 TIP3 7403 -1.605 2.190 1.781 1.00 0.00 WT1 H ATOM 21640 OH2 TIP3 7408 -1.677 -3.556 -8.707 1.00 0.00 WT1 O ATOM 21641 H1 TIP3 7408 -1.292 3.332 0.730 1.00 0.00 WT1 H ATOM 21642 H2 TIP3 7408 3.387 -16.343 -12.353 1.00 0.00 WT1 H ATOM 21643 OH2 TIP3 7409 -5.259 -3.644 6.093 1.00 0.00 WT1 O ATOM 21644 H1 TIP3 7409 -2.728 -5.014 4.910 1.00 0.00 WT1 H ATOM 21645 H2 TIP3 7409 4.647 -10.273 1.492 1.00 0.00 WT1 H ATOM 21646 OH2 TIP3 7410 -2.370 3.238 5.437 1.00 0.00 WT1 O ATOM 21647 H1 TIP3 7410 -1.836 -2.005 3.846 1.00 0.00 WT1 H ATOM 21648 H2 TIP3 7410 12.640 7.548 2.059 1.00 0.00 WT1 H ATOM 21649 OH2 TIP3 7411 3.015 3.560 -1.097 1.00 0.00 WT1 O ATOM 21650 H1 TIP3 7411 4.120 5.007 -2.223 1.00 0.00 WT1 H ATOM 21651 H2 TIP3 7411 0.943 23.059 2.420 1.00 0.00 WT1 H ATOM 21652 OH2 TIP3 7412 3.357 0.574 0.680 1.00 0.00 WT1 O ATOM 21653 H1 TIP3 7412 15.962 -6.772 0.669 1.00 0.00 WT1 H ATOM 21654 H2 TIP3 7412 7.081 22.574 0.946 1.00 0.00 WT1 H ATOM 21655 OH2 TIP3 7413 1.360 -3.430 6.037 1.00 0.00 WT1 O ATOM 21656 H1 TIP3 7413 14.369 -3.521 9.116 1.00 0.00 WT1 H ATOM 21657 H2 TIP3 7413 1.896 -1.239 24.298 1.00 0.00 WT1 H ATOM 21658 OH2 TIP3 7414 0.478 -2.371 -1.850 1.00 0.00 WT1 O ATOM 21659 H1 TIP3 7414 1.505 -3.335 -0.350 1.00 0.00 WT1 H ATOM 21660 H2 TIP3 7414 -1.493 -1.635 13.096 1.00 0.00 WT1 H ATOM 21661 OH2 TIP3 7415 3.085 4.499 0.477 1.00 0.00 WT1 O ATOM 21662 H1 TIP3 7415 8.843 -7.736 10.983 1.00 0.00 WT1 H ATOM 21663 H2 TIP3 7415 5.551 9.720 -11.763 1.00 0.00 WT1 H ATOM 21664 OH2 TIP3 7416 4.652 -3.128 0.351 1.00 0.00 WT1 O ATOM 21665 H1 TIP3 7416 0.843 -24.353 2.861 1.00 0.00 WT1 H ATOM 21666 H2 TIP3 7416 11.133 9.456 -6.981 1.00 0.00 WT1 H ATOM 21667 OH2 TIP3 7417 3.837 1.091 -0.235 1.00 0.00 WT1 O ATOM 21668 H1 TIP3 7417 -1.913 0.926 4.216 1.00 0.00 WT1 H ATOM 21669 H2 TIP3 7417 8.985 10.883 -7.167 1.00 0.00 WT1 H ATOM 21670 OH2 TIP3 7418 -4.175 0.472 -0.288 1.00 0.00 WT1 O ATOM 21671 H1 TIP3 7418 -9.203 4.228 1.173 1.00 0.00 WT1 H ATOM 21672 H2 TIP3 7418 -23.279 -4.604 -0.825 1.00 0.00 WT1 H ATOM 21673 OH2 TIP3 7419 -3.447 0.354 5.549 1.00 0.00 WT1 O ATOM 21674 H1 TIP3 7419 1.093 -9.084 6.120 1.00 0.00 WT1 H ATOM 21675 H2 TIP3 7419 -18.287 9.671 -7.325 1.00 0.00 WT1 H ATOM 21676 OH2 TIP3 7420 3.138 3.264 -7.747 1.00 0.00 WT1 O ATOM 21677 H1 TIP3 7420 11.195 26.613 9.869 1.00 0.00 WT1 H ATOM 21678 H2 TIP3 7420 1.845 -7.045 14.060 1.00 0.00 WT1 H ATOM 21679 OH2 TIP3 7421 3.805 2.169 -2.394 1.00 0.00 WT1 O ATOM 21680 H1 TIP3 7421 11.550 -1.605 -8.443 1.00 0.00 WT1 H ATOM 21681 H2 TIP3 7421 13.750 -13.146 4.862 1.00 0.00 WT1 H ATOM 21682 OH2 TIP3 7422 -5.174 -3.754 -5.605 1.00 0.00 WT1 O ATOM 21683 H1 TIP3 7422 -15.720 -23.643 -3.816 1.00 0.00 WT1 H ATOM 21684 H2 TIP3 7422 -8.407 -16.007 -1.364 1.00 0.00 WT1 H ATOM 21685 OH2 TIP3 7423 -0.661 2.481 -6.315 1.00 0.00 WT1 O ATOM 21686 H1 TIP3 7423 -7.413 20.993 -1.512 1.00 0.00 WT1 H ATOM 21687 H2 TIP3 7423 2.567 -4.370 -10.108 1.00 0.00 WT1 H ATOM 21688 OH2 TIP3 7424 -7.755 2.974 2.214 1.00 0.00 WT1 O ATOM 21689 H1 TIP3 7424 10.223 -1.589 -12.770 1.00 0.00 WT1 H ATOM 21690 H2 TIP3 7424 3.464 -1.623 -2.805 1.00 0.00 WT1 H ATOM 21691 OH2 TIP3 7426 -1.706 -5.582 -0.497 1.00 0.00 WT1 O ATOM 21692 H1 TIP3 7426 -8.264 3.211 7.448 1.00 0.00 WT1 H ATOM 21693 H2 TIP3 7426 -5.839 -1.627 -4.690 1.00 0.00 WT1 H ATOM 21694 OH2 TIP3 7427 0.641 -0.052 -0.696 1.00 0.00 WT1 O ATOM 21695 H1 TIP3 7427 -3.760 -11.024 -15.135 1.00 0.00 WT1 H ATOM 21696 H2 TIP3 7427 1.130 18.228 28.275 1.00 0.00 WT1 H ATOM 21697 OH2 TIP3 7428 1.423 -5.950 5.297 1.00 0.00 WT1 O ATOM 21698 H1 TIP3 7428 9.345 -0.122 11.708 1.00 0.00 WT1 H ATOM 21699 H2 TIP3 7428 -0.871 -6.513 10.724 1.00 0.00 WT1 H ATOM 21700 OH2 TIP3 7429 1.642 0.205 1.094 1.00 0.00 WT1 O ATOM 21701 H1 TIP3 7429 1.477 7.456 -9.720 1.00 0.00 WT1 H ATOM 21702 H2 TIP3 7429 -3.590 8.690 11.251 1.00 0.00 WT1 H ATOM 21703 OH2 TIP3 7430 -0.914 -3.513 -5.901 1.00 0.00 WT1 O ATOM 21704 H1 TIP3 7430 14.409 -30.389 1.068 1.00 0.00 WT1 H ATOM 21705 H2 TIP3 7430 20.794 12.242 -23.977 1.00 0.00 WT1 H ATOM 21706 OH2 TIP3 7431 -6.060 7.352 -3.937 1.00 0.00 WT1 O ATOM 21707 H1 TIP3 7431 -11.332 -12.494 9.410 1.00 0.00 WT1 H ATOM 21708 H2 TIP3 7431 -6.850 32.942 27.015 1.00 0.00 WT1 H ATOM 21709 OH2 TIP3 7432 -0.085 2.284 1.594 1.00 0.00 WT1 O ATOM 21710 H1 TIP3 7432 -12.446 0.369 -17.781 1.00 0.00 WT1 H ATOM 21711 H2 TIP3 7432 -2.232 -6.087 1.743 1.00 0.00 WT1 H ATOM 21712 OH2 TIP3 7433 3.381 2.405 -3.410 1.00 0.00 WT1 O ATOM 21713 H1 TIP3 7433 8.568 -3.064 -13.940 1.00 0.00 WT1 H ATOM 21714 H2 TIP3 7433 8.056 -4.162 4.624 1.00 0.00 WT1 H ATOM 21715 OH2 TIP3 7434 7.736 -6.074 -2.206 1.00 0.00 WT1 O ATOM 21716 H1 TIP3 7434 3.495 -8.962 8.763 1.00 0.00 WT1 H ATOM 21717 H2 TIP3 7434 12.127 -3.142 9.776 1.00 0.00 WT1 H ATOM 21718 OH2 TIP3 7435 -2.590 -1.494 -1.975 1.00 0.00 WT1 O ATOM 21719 H1 TIP3 7435 -16.808 11.405 22.648 1.00 0.00 WT1 H ATOM 21720 H2 TIP3 7435 -2.309 -18.364 1.587 1.00 0.00 WT1 H ATOM 21721 OH2 TIP3 7436 0.157 4.986 0.188 1.00 0.00 WT1 O ATOM 21722 H1 TIP3 7436 15.237 -13.163 -2.949 1.00 0.00 WT1 H ATOM 21723 H2 TIP3 7436 14.351 33.091 1.006 1.00 0.00 WT1 H ATOM 21724 OH2 TIP3 7437 3.268 -0.922 -7.351 1.00 0.00 WT1 O ATOM 21725 H1 TIP3 7437 -1.238 -3.856 -15.737 1.00 0.00 WT1 H ATOM 21726 H2 TIP3 7437 5.278 -14.657 -8.902 1.00 0.00 WT1 H ATOM 21727 OH2 TIP3 7439 8.148 -3.983 2.105 1.00 0.00 WT1 O ATOM 21728 H1 TIP3 7439 24.986 -2.980 -1.791 1.00 0.00 WT1 H ATOM 21729 H2 TIP3 7439 15.681 -6.124 -10.196 1.00 0.00 WT1 H ATOM 21730 OH2 TIP3 7440 -4.610 -3.757 -0.546 1.00 0.00 WT1 O ATOM 21731 H1 TIP3 7440 15.931 -8.350 13.877 1.00 0.00 WT1 H ATOM 21732 H2 TIP3 7440 -4.192 3.612 -5.421 1.00 0.00 WT1 H ATOM 21733 OH2 TIP3 7441 7.163 -3.122 0.819 1.00 0.00 WT1 O ATOM 21734 H1 TIP3 7441 -13.963 -6.551 -25.519 1.00 0.00 WT1 H ATOM 21735 H2 TIP3 7441 24.013 -13.587 22.212 1.00 0.00 WT1 H ATOM 21736 OH2 TIP3 7442 -1.911 1.218 -0.791 1.00 0.00 WT1 O ATOM 21737 H1 TIP3 7442 -7.987 15.669 9.003 1.00 0.00 WT1 H ATOM 21738 H2 TIP3 7442 -6.369 -0.435 -1.975 1.00 0.00 WT1 H ATOM 21739 OH2 TIP3 7443 0.214 -4.372 3.681 1.00 0.00 WT1 O ATOM 21740 H1 TIP3 7443 -6.166 5.926 -2.272 1.00 0.00 WT1 H ATOM 21741 H2 TIP3 7443 6.141 -8.151 5.664 1.00 0.00 WT1 H ATOM 21742 OH2 TIP3 7445 -0.710 1.478 -1.760 1.00 0.00 WT1 O ATOM 21743 H1 TIP3 7445 1.029 9.547 -10.873 1.00 0.00 WT1 H ATOM 21744 H2 TIP3 7445 -1.915 -2.567 -0.082 1.00 0.00 WT1 H ATOM 21745 OH2 TIP3 7447 0.455 0.915 -2.891 1.00 0.00 WT1 O ATOM 21746 H1 TIP3 7447 14.202 10.547 8.682 1.00 0.00 WT1 H ATOM 21747 H2 TIP3 7447 17.299 -17.829 -15.522 1.00 0.00 WT1 H ATOM 21748 OH2 TIP3 7448 1.289 3.930 0.637 1.00 0.00 WT1 O ATOM 21749 H1 TIP3 7448 1.435 -9.174 12.128 1.00 0.00 WT1 H ATOM 21750 H2 TIP3 7448 -1.460 -16.112 16.850 1.00 0.00 WT1 H ATOM 21751 OH2 TIP3 7450 -5.606 -6.324 -1.596 1.00 0.00 WT1 O ATOM 21752 H1 TIP3 7450 -4.461 -4.781 -1.140 1.00 0.00 WT1 H ATOM 21753 H2 TIP3 7450 -9.059 8.629 -19.627 1.00 0.00 WT1 H ATOM 21754 OH2 TIP3 7451 -5.846 2.157 7.597 1.00 0.00 WT1 O ATOM 21755 H1 TIP3 7451 15.617 0.107 -13.593 1.00 0.00 WT1 H ATOM 21756 H2 TIP3 7451 -5.109 8.609 21.010 1.00 0.00 WT1 H ATOM 21757 OH2 TIP3 7452 -4.567 2.667 -3.836 1.00 0.00 WT1 O ATOM 21758 H1 TIP3 7452 3.259 0.314 3.819 1.00 0.00 WT1 H ATOM 21759 H2 TIP3 7452 -10.030 5.460 -6.978 1.00 0.00 WT1 H ATOM 21760 OH2 TIP3 7454 5.823 -7.513 6.960 1.00 0.00 WT1 O ATOM 21761 H1 TIP3 7454 8.656 0.531 17.153 1.00 0.00 WT1 H ATOM 21762 H2 TIP3 7454 5.236 -6.520 10.676 1.00 0.00 WT1 H ATOM 21763 OH2 TIP3 7455 7.501 -3.414 0.553 1.00 0.00 WT1 O ATOM 21764 H1 TIP3 7455 17.677 20.419 -4.541 1.00 0.00 WT1 H ATOM 21765 H2 TIP3 7455 18.274 -9.759 -2.388 1.00 0.00 WT1 H ATOM 21766 OH2 TIP3 7456 -0.430 2.444 5.773 1.00 0.00 WT1 O ATOM 21767 H1 TIP3 7456 2.098 1.550 1.699 1.00 0.00 WT1 H ATOM 21768 H2 TIP3 7456 -1.043 3.007 3.847 1.00 0.00 WT1 H ATOM 21769 OH2 TIP3 7457 0.243 0.204 -1.789 1.00 0.00 WT1 O ATOM 21770 H1 TIP3 7457 -0.723 0.803 -8.084 1.00 0.00 WT1 H ATOM 21771 H2 TIP3 7457 1.967 0.374 23.101 1.00 0.00 WT1 H ATOM 21772 OH2 TIP3 7458 -3.394 -8.399 4.540 1.00 0.00 WT1 O ATOM 21773 H1 TIP3 7458 -2.746 4.498 29.490 1.00 0.00 WT1 H ATOM 21774 H2 TIP3 7458 0.788 -1.505 10.455 1.00 0.00 WT1 H ATOM 21775 OH2 TIP3 7459 6.056 -4.921 -0.512 1.00 0.00 WT1 O ATOM 21776 H1 TIP3 7459 5.904 -5.308 -1.074 1.00 0.00 WT1 H ATOM 21777 H2 TIP3 7459 -29.945 -5.159 14.091 1.00 0.00 WT1 H ATOM 21778 OH2 TIP3 7461 -0.285 2.649 7.056 1.00 0.00 WT1 O ATOM 21779 H1 TIP3 7461 -0.349 3.435 2.220 1.00 0.00 WT1 H ATOM 21780 H2 TIP3 7461 9.889 -9.561 14.429 1.00 0.00 WT1 H ATOM 21781 OH2 TIP3 7462 -2.527 5.310 7.351 1.00 0.00 WT1 O ATOM 21782 H1 TIP3 7462 -13.130 7.565 8.720 1.00 0.00 WT1 H ATOM 21783 H2 TIP3 7462 23.009 -3.921 -26.202 1.00 0.00 WT1 H ATOM 21784 OH2 TIP3 7463 3.107 5.897 2.497 1.00 0.00 WT1 O ATOM 21785 H1 TIP3 7463 -1.793 -13.128 1.825 1.00 0.00 WT1 H ATOM 21786 H2 TIP3 7463 19.168 8.466 -7.834 1.00 0.00 WT1 H ATOM 21787 OH2 TIP3 7464 -2.944 2.870 -3.680 1.00 0.00 WT1 O ATOM 21788 H1 TIP3 7464 -15.908 0.704 24.887 1.00 0.00 WT1 H ATOM 21789 H2 TIP3 7464 7.673 2.488 -17.749 1.00 0.00 WT1 H ATOM 21790 OH2 TIP3 7465 1.114 13.031 1.257 1.00 0.00 WT1 O ATOM 21791 H1 TIP3 7465 3.659 13.293 -0.411 1.00 0.00 WT1 H ATOM 21792 H2 TIP3 7465 24.386 3.745 3.677 1.00 0.00 WT1 H ATOM 21793 OH2 TIP3 7466 -2.020 -4.545 0.273 1.00 0.00 WT1 O ATOM 21794 H1 TIP3 7466 17.831 -8.613 6.496 1.00 0.00 WT1 H ATOM 21795 H2 TIP3 7466 -14.319 -19.541 5.437 1.00 0.00 WT1 H ATOM 21796 OH2 TIP3 7467 1.711 5.409 3.521 1.00 0.00 WT1 O ATOM 21797 H1 TIP3 7467 1.033 10.279 13.635 1.00 0.00 WT1 H ATOM 21798 H2 TIP3 7467 15.327 6.241 -5.063 1.00 0.00 WT1 H ATOM 21799 OH2 TIP3 7468 -1.150 -2.553 -0.122 1.00 0.00 WT1 O ATOM 21800 H1 TIP3 7468 -13.952 -7.433 -11.973 1.00 0.00 WT1 H ATOM 21801 H2 TIP3 7468 16.903 -14.048 -3.119 1.00 0.00 WT1 H ATOM 21802 OH2 TIP3 7469 -5.157 -0.425 -2.331 1.00 0.00 WT1 O ATOM 21803 H1 TIP3 7469 3.134 -10.675 12.867 1.00 0.00 WT1 H ATOM 21804 H2 TIP3 7469 4.615 4.094 18.992 1.00 0.00 WT1 H ATOM 21805 OH2 TIP3 7470 1.788 2.305 0.320 1.00 0.00 WT1 O ATOM 21806 H1 TIP3 7470 6.568 2.210 1.437 1.00 0.00 WT1 H ATOM 21807 H2 TIP3 7470 -16.295 -4.132 -7.588 1.00 0.00 WT1 H ATOM 21808 OH2 TIP3 7471 3.230 1.712 -7.055 1.00 0.00 WT1 O ATOM 21809 H1 TIP3 7471 3.063 5.290 4.378 1.00 0.00 WT1 H ATOM 21810 H2 TIP3 7471 -14.987 24.096 -7.734 1.00 0.00 WT1 H ATOM 21811 OH2 TIP3 7472 -1.731 -0.643 1.317 1.00 0.00 WT1 O ATOM 21812 H1 TIP3 7472 -1.446 -2.275 -4.971 1.00 0.00 WT1 H ATOM 21813 H2 TIP3 7472 -7.408 -0.414 0.575 1.00 0.00 WT1 H ATOM 21814 OH2 TIP3 7473 5.980 -8.098 0.510 1.00 0.00 WT1 O ATOM 21815 H1 TIP3 7473 7.394 12.412 2.143 1.00 0.00 WT1 H ATOM 21816 H2 TIP3 7473 9.978 0.200 11.600 1.00 0.00 WT1 H ATOM 21817 OH2 TIP3 7474 -2.641 -5.346 2.270 1.00 0.00 WT1 O ATOM 21818 H1 TIP3 7474 3.671 -4.142 -24.558 1.00 0.00 WT1 H ATOM 21819 H2 TIP3 7474 2.951 6.383 1.754 1.00 0.00 WT1 H ATOM 21820 OH2 TIP3 7475 2.149 7.004 -2.666 1.00 0.00 WT1 O ATOM 21821 H1 TIP3 7475 2.962 5.070 -3.221 1.00 0.00 WT1 H ATOM 21822 H2 TIP3 7475 -25.544 -28.715 -4.307 1.00 0.00 WT1 H ATOM 21823 OH2 TIP3 7476 -2.138 -3.141 1.207 1.00 0.00 WT1 O ATOM 21824 H1 TIP3 7476 -16.993 5.455 9.480 1.00 0.00 WT1 H ATOM 21825 H2 TIP3 7476 18.019 -8.190 -15.135 1.00 0.00 WT1 H ATOM 21826 OH2 TIP3 7477 0.049 -2.863 -1.808 1.00 0.00 WT1 O ATOM 21827 H1 TIP3 7477 -13.613 8.848 7.865 1.00 0.00 WT1 H ATOM 21828 H2 TIP3 7477 0.290 -10.681 -2.173 1.00 0.00 WT1 H ATOM 21829 OH2 TIP3 7478 2.359 -1.074 0.439 1.00 0.00 WT1 O ATOM 21830 H1 TIP3 7478 10.629 5.344 -6.082 1.00 0.00 WT1 H ATOM 21831 H2 TIP3 7478 -10.698 -1.697 -14.703 1.00 0.00 WT1 H ATOM 21832 OH2 TIP3 7479 2.259 0.793 6.599 1.00 0.00 WT1 O ATOM 21833 H1 TIP3 7479 4.880 -2.008 18.364 1.00 0.00 WT1 H ATOM 21834 H2 TIP3 7479 -1.232 5.968 0.189 1.00 0.00 WT1 H ATOM 21835 OH2 TIP3 7480 -0.642 1.332 -1.475 1.00 0.00 WT1 O ATOM 21836 H1 TIP3 7480 8.669 -4.354 -14.631 1.00 0.00 WT1 H ATOM 21837 H2 TIP3 7480 -11.991 9.173 2.936 1.00 0.00 WT1 H ATOM 21838 OH2 TIP3 7481 -4.806 -2.793 -5.102 1.00 0.00 WT1 O ATOM 21839 H1 TIP3 7481 15.284 11.291 5.963 1.00 0.00 WT1 H ATOM 21840 H2 TIP3 7481 -6.747 -0.448 -6.370 1.00 0.00 WT1 H ATOM 21841 OH2 TIP3 7483 0.662 -3.682 3.841 1.00 0.00 WT1 O ATOM 21842 H1 TIP3 7483 -27.022 8.318 8.741 1.00 0.00 WT1 H ATOM 21843 H2 TIP3 7483 8.496 -13.387 -2.416 1.00 0.00 WT1 H ATOM 21844 OH2 TIP3 7485 1.833 -3.274 -3.240 1.00 0.00 WT1 O ATOM 21845 H1 TIP3 7485 1.464 -5.486 -2.317 1.00 0.00 WT1 H ATOM 21846 H2 TIP3 7485 0.512 4.674 -6.924 1.00 0.00 WT1 H ATOM 21847 OH2 TIP3 7486 -4.204 -4.094 -4.062 1.00 0.00 WT1 O ATOM 21848 H1 TIP3 7486 2.205 0.503 -5.522 1.00 0.00 WT1 H ATOM 21849 H2 TIP3 7486 -9.976 -7.853 -1.688 1.00 0.00 WT1 H ATOM 21850 OH2 TIP3 7487 -2.086 -2.670 -0.412 1.00 0.00 WT1 O ATOM 21851 H1 TIP3 7487 -26.828 -6.060 7.460 1.00 0.00 WT1 H ATOM 21852 H2 TIP3 7487 -10.374 2.907 -5.731 1.00 0.00 WT1 H ATOM 21853 OH2 TIP3 7489 -3.125 -2.094 1.173 1.00 0.00 WT1 O ATOM 21854 H1 TIP3 7489 -13.154 5.743 -0.868 1.00 0.00 WT1 H ATOM 21855 H2 TIP3 7489 -3.817 -4.478 8.082 1.00 0.00 WT1 H ATOM 21856 OH2 TIP3 7490 1.411 -1.370 3.490 1.00 0.00 WT1 O ATOM 21857 H1 TIP3 7490 -4.176 23.955 -0.267 1.00 0.00 WT1 H ATOM 21858 H2 TIP3 7490 24.257 -4.495 -8.535 1.00 0.00 WT1 H ATOM 21859 OH2 TIP3 7491 3.491 3.678 -3.416 1.00 0.00 WT1 O ATOM 21860 H1 TIP3 7491 8.241 -10.338 -1.684 1.00 0.00 WT1 H ATOM 21861 H2 TIP3 7491 6.452 -6.989 -6.001 1.00 0.00 WT1 H ATOM 21862 OH2 TIP3 7492 3.009 -6.277 1.723 1.00 0.00 WT1 O ATOM 21863 H1 TIP3 7492 3.958 13.815 -6.181 1.00 0.00 WT1 H ATOM 21864 H2 TIP3 7492 -8.220 10.781 -8.154 1.00 0.00 WT1 H ATOM 21865 OH2 TIP3 7493 -7.642 1.834 -4.928 1.00 0.00 WT1 O ATOM 21866 H1 TIP3 7493 -29.182 -16.017 5.119 1.00 0.00 WT1 H ATOM 21867 H2 TIP3 7493 -4.453 9.326 -6.319 1.00 0.00 WT1 H ATOM 21868 OH2 TIP3 7494 -0.794 5.769 -3.115 1.00 0.00 WT1 O ATOM 21869 H1 TIP3 7494 2.458 23.484 -10.542 1.00 0.00 WT1 H ATOM 21870 H2 TIP3 7494 5.935 -8.967 -23.357 1.00 0.00 WT1 H ATOM 21871 OH2 TIP3 7495 0.480 3.206 -0.298 1.00 0.00 WT1 O ATOM 21872 H1 TIP3 7495 -0.747 3.793 5.976 1.00 0.00 WT1 H ATOM 21873 H2 TIP3 7495 -3.538 4.305 -3.042 1.00 0.00 WT1 H ATOM 21874 OH2 TIP3 7496 1.299 -4.334 -1.808 1.00 0.00 WT1 O ATOM 21875 H1 TIP3 7496 5.494 -14.628 -14.586 1.00 0.00 WT1 H ATOM 21876 H2 TIP3 7496 4.613 10.354 -0.077 1.00 0.00 WT1 H ATOM 21877 OH2 TIP3 7497 2.024 2.080 -1.852 1.00 0.00 WT1 O ATOM 21878 H1 TIP3 7497 -7.304 10.363 -3.475 1.00 0.00 WT1 H ATOM 21879 H2 TIP3 7497 5.866 0.811 8.591 1.00 0.00 WT1 H ATOM 21880 OH2 TIP3 7498 -4.999 -5.963 -6.451 1.00 0.00 WT1 O ATOM 21881 H1 TIP3 7498 -3.597 1.294 -2.071 1.00 0.00 WT1 H ATOM 21882 H2 TIP3 7498 -8.317 2.386 -8.989 1.00 0.00 WT1 H ATOM 21883 OH2 TIP3 7499 1.156 6.227 3.586 1.00 0.00 WT1 O ATOM 21884 H1 TIP3 7499 2.851 -1.329 -5.172 1.00 0.00 WT1 H ATOM 21885 H2 TIP3 7499 13.392 0.393 -6.678 1.00 0.00 WT1 H ATOM 21886 OH2 TIP3 7500 -3.230 4.175 -0.304 1.00 0.00 WT1 O ATOM 21887 H1 TIP3 7500 -6.418 -10.185 17.993 1.00 0.00 WT1 H ATOM 21888 H2 TIP3 7500 -10.888 -13.584 12.144 1.00 0.00 WT1 H ATOM 21889 OH2 TIP3 7501 -1.764 2.011 5.393 1.00 0.00 WT1 O ATOM 21890 H1 TIP3 7501 -16.214 17.311 -21.745 1.00 0.00 WT1 H ATOM 21891 H2 TIP3 7501 6.417 -6.427 20.878 1.00 0.00 WT1 H ATOM 21892 OH2 TIP3 7502 1.917 4.682 3.028 1.00 0.00 WT1 O ATOM 21893 H1 TIP3 7502 -1.492 -8.912 -3.561 1.00 0.00 WT1 H ATOM 21894 H2 TIP3 7502 -7.971 18.295 1.709 1.00 0.00 WT1 H ATOM 21895 OH2 TIP3 7503 -4.122 -4.587 0.927 1.00 0.00 WT1 O ATOM 21896 H1 TIP3 7503 -16.417 4.577 15.511 1.00 0.00 WT1 H ATOM 21897 H2 TIP3 7503 2.307 -4.410 -2.584 1.00 0.00 WT1 H ATOM 21898 OH2 TIP3 7504 -0.488 0.859 3.391 1.00 0.00 WT1 O ATOM 21899 H1 TIP3 7504 9.224 17.185 -11.061 1.00 0.00 WT1 H ATOM 21900 H2 TIP3 7504 -24.509 0.685 0.324 1.00 0.00 WT1 H ATOM 21901 OH2 TIP3 7505 3.225 4.235 2.206 1.00 0.00 WT1 O ATOM 21902 H1 TIP3 7505 -15.744 -19.050 3.359 1.00 0.00 WT1 H ATOM 21903 H2 TIP3 7505 2.560 4.203 11.280 1.00 0.00 WT1 H ATOM 21904 OH2 TIP3 7506 -4.624 -3.737 -3.883 1.00 0.00 WT1 O ATOM 21905 H1 TIP3 7506 -10.045 -14.795 -5.979 1.00 0.00 WT1 H ATOM 21906 H2 TIP3 7506 38.267 -6.789 -10.488 1.00 0.00 WT1 H ATOM 21907 OH2 TIP3 7507 -3.510 3.022 7.052 1.00 0.00 WT1 O ATOM 21908 H1 TIP3 7507 -5.709 -4.771 28.366 1.00 0.00 WT1 H ATOM 21909 H2 TIP3 7507 3.236 -18.239 32.109 1.00 0.00 WT1 H ATOM 21910 OH2 TIP3 7508 6.685 -2.240 -3.508 1.00 0.00 WT1 O ATOM 21911 H1 TIP3 7508 7.166 -8.927 -8.435 1.00 0.00 WT1 H ATOM 21912 H2 TIP3 7508 2.731 0.180 -7.676 1.00 0.00 WT1 H ATOM 21913 OH2 TIP3 7509 0.417 2.160 5.702 1.00 0.00 WT1 O ATOM 21914 H1 TIP3 7509 8.107 3.629 6.033 1.00 0.00 WT1 H ATOM 21915 H2 TIP3 7509 -5.596 -13.009 -1.667 1.00 0.00 WT1 H ATOM 21916 OH2 TIP3 7510 2.666 5.621 3.014 1.00 0.00 WT1 O ATOM 21917 H1 TIP3 7510 -4.030 -37.037 -0.621 1.00 0.00 WT1 H ATOM 21918 H2 TIP3 7510 -0.506 11.384 1.191 1.00 0.00 WT1 H ATOM 21919 OH2 TIP3 7511 -6.004 -0.524 -3.549 1.00 0.00 WT1 O ATOM 21920 H1 TIP3 7511 -0.854 22.511 12.236 1.00 0.00 WT1 H ATOM 21921 H2 TIP3 7511 16.336 -7.727 -10.909 1.00 0.00 WT1 H ATOM 21922 OH2 TIP3 7512 7.572 -0.967 -3.977 1.00 0.00 WT1 O ATOM 21923 H1 TIP3 7512 6.518 5.078 -5.387 1.00 0.00 WT1 H ATOM 21924 H2 TIP3 7512 8.517 -3.498 -5.998 1.00 0.00 WT1 H ATOM 21925 OH2 TIP3 7513 -2.131 2.130 -5.380 1.00 0.00 WT1 O ATOM 21926 H1 TIP3 7513 13.787 13.382 14.873 1.00 0.00 WT1 H ATOM 21927 H2 TIP3 7513 0.103 -7.819 -2.712 1.00 0.00 WT1 H ATOM 21928 OH2 TIP3 7514 0.854 -5.362 2.115 1.00 0.00 WT1 O ATOM 21929 H1 TIP3 7514 8.203 11.328 -1.860 1.00 0.00 WT1 H ATOM 21930 H2 TIP3 7514 -16.700 -0.963 2.787 1.00 0.00 WT1 H ATOM 21931 OH2 TIP3 7515 4.692 -4.561 7.271 1.00 0.00 WT1 O ATOM 21932 H1 TIP3 7515 -5.845 10.039 -6.672 1.00 0.00 WT1 H ATOM 21933 H2 TIP3 7515 -0.786 13.136 -8.967 1.00 0.00 WT1 H ATOM 21934 OH2 TIP3 7516 2.548 2.107 4.849 1.00 0.00 WT1 O ATOM 21935 H1 TIP3 7516 9.638 17.367 19.123 1.00 0.00 WT1 H ATOM 21936 H2 TIP3 7516 1.168 12.467 6.352 1.00 0.00 WT1 H ATOM 21937 OH2 TIP3 7517 0.254 -2.532 6.732 1.00 0.00 WT1 O ATOM 21938 H1 TIP3 7517 5.116 -7.887 -6.089 1.00 0.00 WT1 H ATOM 21939 H2 TIP3 7517 9.094 14.964 3.456 1.00 0.00 WT1 H ATOM 21940 OH2 TIP3 7518 -4.793 5.265 5.740 1.00 0.00 WT1 O ATOM 21941 H1 TIP3 7518 -5.266 15.399 5.654 1.00 0.00 WT1 H ATOM 21942 H2 TIP3 7518 -6.939 -6.031 14.110 1.00 0.00 WT1 H ATOM 21943 OH2 TIP3 7519 -0.833 2.197 -4.673 1.00 0.00 WT1 O ATOM 21944 H1 TIP3 7519 5.528 -13.479 6.931 1.00 0.00 WT1 H ATOM 21945 H2 TIP3 7519 -10.053 -4.421 6.683 1.00 0.00 WT1 H ATOM 21946 OH2 TIP3 7520 -1.285 1.050 4.014 1.00 0.00 WT1 O ATOM 21947 H1 TIP3 7520 -2.156 -2.959 22.806 1.00 0.00 WT1 H ATOM 21948 H2 TIP3 7520 -21.020 19.102 -7.343 1.00 0.00 WT1 H ATOM 21949 OH2 TIP3 7521 1.839 3.529 7.526 1.00 0.00 WT1 O ATOM 21950 H1 TIP3 7521 -4.311 1.409 12.145 1.00 0.00 WT1 H ATOM 21951 H2 TIP3 7521 -1.059 4.393 10.231 1.00 0.00 WT1 H ATOM 21952 OH2 TIP3 7522 3.738 -3.016 -2.004 1.00 0.00 WT1 O ATOM 21953 H1 TIP3 7522 3.549 -2.804 5.355 1.00 0.00 WT1 H ATOM 21954 H2 TIP3 7522 13.961 -10.436 -12.828 1.00 0.00 WT1 H ATOM 21955 OH2 TIP3 7523 5.650 1.967 -0.852 1.00 0.00 WT1 O ATOM 21956 H1 TIP3 7523 5.413 -2.770 5.501 1.00 0.00 WT1 H ATOM 21957 H2 TIP3 7523 4.694 6.769 -8.057 1.00 0.00 WT1 H ATOM 21958 OH2 TIP3 7524 0.044 -2.554 -6.587 1.00 0.00 WT1 O ATOM 21959 H1 TIP3 7524 -0.125 -12.817 8.187 1.00 0.00 WT1 H ATOM 21960 H2 TIP3 7524 4.032 -1.523 -19.514 1.00 0.00 WT1 H ATOM 21961 OH2 TIP3 7525 -1.715 3.429 6.236 1.00 0.00 WT1 O ATOM 21962 H1 TIP3 7525 12.842 -7.637 -1.625 1.00 0.00 WT1 H ATOM 21963 H2 TIP3 7525 -7.078 10.278 4.707 1.00 0.00 WT1 H ATOM 21964 OH2 TIP3 7526 0.987 2.619 -1.808 1.00 0.00 WT1 O ATOM 21965 H1 TIP3 7526 14.541 -14.186 -4.560 1.00 0.00 WT1 H ATOM 21966 H2 TIP3 7526 -5.418 7.800 -15.169 1.00 0.00 WT1 H ATOM 21967 OH2 TIP3 7527 -2.959 -5.309 -2.153 1.00 0.00 WT1 O ATOM 21968 H1 TIP3 7527 19.743 -3.643 -3.073 1.00 0.00 WT1 H ATOM 21969 H2 TIP3 7527 11.108 -8.857 6.148 1.00 0.00 WT1 H ATOM 21970 OH2 TIP3 7529 -2.339 -1.804 3.331 1.00 0.00 WT1 O ATOM 21971 H1 TIP3 7529 16.498 7.030 -21.396 1.00 0.00 WT1 H ATOM 21972 H2 TIP3 7529 -12.562 -16.637 9.060 1.00 0.00 WT1 H ATOM 21973 OH2 TIP3 7530 0.524 -1.650 -0.677 1.00 0.00 WT1 O ATOM 21974 H1 TIP3 7530 15.706 -3.004 3.074 1.00 0.00 WT1 H ATOM 21975 H2 TIP3 7530 6.176 -14.643 -26.956 1.00 0.00 WT1 H ATOM 21976 OH2 TIP3 7531 3.660 0.705 -4.482 1.00 0.00 WT1 O ATOM 21977 H1 TIP3 7531 -8.682 -1.988 -3.353 1.00 0.00 WT1 H ATOM 21978 H2 TIP3 7531 -4.552 -1.482 -4.046 1.00 0.00 WT1 H ATOM 21979 OH2 TIP3 7532 -3.191 -4.114 -1.976 1.00 0.00 WT1 O ATOM 21980 H1 TIP3 7532 13.052 6.833 -6.542 1.00 0.00 WT1 H ATOM 21981 H2 TIP3 7532 -10.532 3.018 8.971 1.00 0.00 WT1 H ATOM 21982 OH2 TIP3 7534 2.882 -2.118 -5.893 1.00 0.00 WT1 O ATOM 21983 H1 TIP3 7534 7.374 15.296 -14.415 1.00 0.00 WT1 H ATOM 21984 H2 TIP3 7534 -12.742 3.699 7.048 1.00 0.00 WT1 H ATOM 21985 OH2 TIP3 7535 -5.491 -3.265 -6.912 1.00 0.00 WT1 O ATOM 21986 H1 TIP3 7535 -5.062 3.809 1.190 1.00 0.00 WT1 H ATOM 21987 H2 TIP3 7535 -6.736 -9.197 11.104 1.00 0.00 WT1 H ATOM 21988 OH2 TIP3 7536 -0.884 0.121 -2.098 1.00 0.00 WT1 O ATOM 21989 H1 TIP3 7536 10.090 -11.887 -11.512 1.00 0.00 WT1 H ATOM 21990 H2 TIP3 7536 6.798 -18.459 -9.754 1.00 0.00 WT1 H ATOM 21991 OH2 TIP3 7537 0.926 -3.572 -0.390 1.00 0.00 WT1 O ATOM 21992 H1 TIP3 7537 0.148 -17.345 13.945 1.00 0.00 WT1 H ATOM 21993 H2 TIP3 7537 -1.432 -22.882 12.539 1.00 0.00 WT1 H ATOM 21994 OH2 TIP3 7538 3.809 2.265 -4.579 1.00 0.00 WT1 O ATOM 21995 H1 TIP3 7538 4.807 1.137 0.867 1.00 0.00 WT1 H ATOM 21996 H2 TIP3 7538 -0.151 -15.350 -11.259 1.00 0.00 WT1 H ATOM 21997 OH2 TIP3 7539 3.532 6.151 -1.464 1.00 0.00 WT1 O ATOM 21998 H1 TIP3 7539 6.121 -19.285 -11.859 1.00 0.00 WT1 H ATOM 21999 H2 TIP3 7539 -5.795 9.266 1.260 1.00 0.00 WT1 H ATOM 22000 OH2 TIP3 7540 4.817 0.481 -3.052 1.00 0.00 WT1 O ATOM 22001 H1 TIP3 7540 -0.147 -22.632 -3.657 1.00 0.00 WT1 H ATOM 22002 H2 TIP3 7540 -27.440 -8.026 24.180 1.00 0.00 WT1 H ATOM 22003 OH2 TIP3 7541 0.172 -0.348 0.166 1.00 0.00 WT1 O ATOM 22004 H1 TIP3 7541 -7.642 17.197 3.303 1.00 0.00 WT1 H ATOM 22005 H2 TIP3 7541 -12.331 18.524 1.114 1.00 0.00 WT1 H ATOM 22006 OH2 TIP3 7542 -3.333 -0.890 3.954 1.00 0.00 WT1 O ATOM 22007 H1 TIP3 7542 -3.304 7.290 9.707 1.00 0.00 WT1 H ATOM 22008 H2 TIP3 7542 -10.899 14.485 11.673 1.00 0.00 WT1 H ATOM 22009 OH2 TIP3 7543 -4.873 0.613 -2.788 1.00 0.00 WT1 O ATOM 22010 H1 TIP3 7543 14.902 -11.749 15.089 1.00 0.00 WT1 H ATOM 22011 H2 TIP3 7543 2.507 -10.245 -26.228 1.00 0.00 WT1 H ATOM 22012 OH2 TIP3 7544 2.956 6.196 -4.935 1.00 0.00 WT1 O ATOM 22013 H1 TIP3 7544 -15.448 -32.075 26.259 1.00 0.00 WT1 H ATOM 22014 H2 TIP3 7544 4.697 11.068 -15.461 1.00 0.00 WT1 H ATOM 22015 OH2 TIP3 7545 -0.363 8.178 2.015 1.00 0.00 WT1 O ATOM 22016 H1 TIP3 7545 -10.435 -4.289 5.733 1.00 0.00 WT1 H ATOM 22017 H2 TIP3 7545 3.286 4.606 -12.693 1.00 0.00 WT1 H ATOM 22018 OH2 TIP3 7546 -1.604 -0.425 -5.923 1.00 0.00 WT1 O ATOM 22019 H1 TIP3 7546 -5.231 -11.664 -8.860 1.00 0.00 WT1 H ATOM 22020 H2 TIP3 7546 -5.426 -0.816 -3.309 1.00 0.00 WT1 H ATOM 22021 OH2 TIP3 7547 0.990 0.729 2.653 1.00 0.00 WT1 O ATOM 22022 H1 TIP3 7547 7.609 -13.495 14.262 1.00 0.00 WT1 H ATOM 22023 H2 TIP3 7547 -5.323 -1.095 -14.529 1.00 0.00 WT1 H ATOM 22024 OH2 TIP3 7548 -4.010 3.013 -0.231 1.00 0.00 WT1 O ATOM 22025 H1 TIP3 7548 1.517 1.139 1.792 1.00 0.00 WT1 H ATOM 22026 H2 TIP3 7548 -3.133 -0.375 -10.619 1.00 0.00 WT1 H ATOM 22027 OH2 TIP3 7549 1.180 -2.077 5.291 1.00 0.00 WT1 O ATOM 22028 H1 TIP3 7549 -6.400 4.492 -1.283 1.00 0.00 WT1 H ATOM 22029 H2 TIP3 7549 6.785 -14.797 3.416 1.00 0.00 WT1 H ATOM 22030 OH2 TIP3 7550 3.816 -3.675 -1.737 1.00 0.00 WT1 O ATOM 22031 H1 TIP3 7550 0.414 -3.677 1.138 1.00 0.00 WT1 H ATOM 22032 H2 TIP3 7550 -11.558 -1.559 -7.968 1.00 0.00 WT1 H ATOM 22033 OH2 TIP3 7551 -2.506 -2.259 5.861 1.00 0.00 WT1 O ATOM 22034 H1 TIP3 7551 6.736 8.902 -3.315 1.00 0.00 WT1 H ATOM 22035 H2 TIP3 7551 -10.968 -7.446 -3.956 1.00 0.00 WT1 H ATOM 22036 OH2 TIP3 7552 5.447 -0.273 -0.238 1.00 0.00 WT1 O ATOM 22037 H1 TIP3 7552 3.252 -0.181 3.885 1.00 0.00 WT1 H ATOM 22038 H2 TIP3 7552 -9.476 3.296 13.501 1.00 0.00 WT1 H ATOM 22039 OH2 TIP3 7553 3.805 -1.132 0.113 1.00 0.00 WT1 O ATOM 22040 H1 TIP3 7553 11.403 -3.523 8.552 1.00 0.00 WT1 H ATOM 22041 H2 TIP3 7553 10.448 10.049 18.058 1.00 0.00 WT1 H ATOM 22042 OH2 TIP3 7554 -5.206 3.229 2.635 1.00 0.00 WT1 O ATOM 22043 H1 TIP3 7554 -4.270 -2.119 -3.059 1.00 0.00 WT1 H ATOM 22044 H2 TIP3 7554 4.027 -12.006 -16.268 1.00 0.00 WT1 H ATOM 22045 OH2 TIP3 7555 2.152 -1.010 0.591 1.00 0.00 WT1 O ATOM 22046 H1 TIP3 7555 1.833 -13.551 3.001 1.00 0.00 WT1 H ATOM 22047 H2 TIP3 7555 15.076 9.699 3.357 1.00 0.00 WT1 H ATOM 22048 OH2 TIP3 7556 4.957 1.052 -0.567 1.00 0.00 WT1 O ATOM 22049 H1 TIP3 7556 5.826 -0.508 -0.047 1.00 0.00 WT1 H ATOM 22050 H2 TIP3 7556 5.386 9.383 -6.562 1.00 0.00 WT1 H ATOM 22051 OH2 TIP3 7557 4.641 -4.973 -1.831 1.00 0.00 WT1 O ATOM 22052 H1 TIP3 7557 3.527 -2.313 -0.684 1.00 0.00 WT1 H ATOM 22053 H2 TIP3 7557 14.025 -40.072 -11.120 1.00 0.00 WT1 H ATOM 22054 OH2 TIP3 7558 5.303 3.563 -4.956 1.00 0.00 WT1 O ATOM 22055 H1 TIP3 7558 24.737 -2.427 0.309 1.00 0.00 WT1 H ATOM 22056 H2 TIP3 7558 -25.338 -2.521 -16.563 1.00 0.00 WT1 H ATOM 22057 OH2 TIP3 7559 2.673 -4.832 4.320 1.00 0.00 WT1 O ATOM 22058 H1 TIP3 7559 -2.615 -21.187 -14.978 1.00 0.00 WT1 H ATOM 22059 H2 TIP3 7559 -4.480 -28.423 -8.888 1.00 0.00 WT1 H ATOM 22060 OH2 TIP3 7560 -1.364 -8.321 2.811 1.00 0.00 WT1 O ATOM 22061 H1 TIP3 7560 18.683 -16.333 8.111 1.00 0.00 WT1 H ATOM 22062 H2 TIP3 7560 -4.954 10.067 -3.197 1.00 0.00 WT1 H ATOM 22063 OH2 TIP3 7561 -6.994 -8.081 0.949 1.00 0.00 WT1 O ATOM 22064 H1 TIP3 7561 -10.788 -19.875 -5.761 1.00 0.00 WT1 H ATOM 22065 H2 TIP3 7561 11.484 8.935 9.950 1.00 0.00 WT1 H ATOM 22066 OH2 TIP3 7562 0.495 1.626 -2.551 1.00 0.00 WT1 O ATOM 22067 H1 TIP3 7562 -2.943 4.518 -1.554 1.00 0.00 WT1 H ATOM 22068 H2 TIP3 7562 -2.313 3.796 -1.732 1.00 0.00 WT1 H ATOM 22069 OH2 TIP3 7563 -3.795 2.747 -2.422 1.00 0.00 WT1 O ATOM 22070 H1 TIP3 7563 26.154 8.708 3.894 1.00 0.00 WT1 H ATOM 22071 H2 TIP3 7563 -6.912 -5.471 -6.275 1.00 0.00 WT1 H ATOM 22072 OH2 TIP3 7564 3.342 -0.832 1.390 1.00 0.00 WT1 O ATOM 22073 H1 TIP3 7564 15.779 7.046 -10.885 1.00 0.00 WT1 H ATOM 22074 H2 TIP3 7564 -5.861 12.648 6.700 1.00 0.00 WT1 H ATOM 22075 OH2 TIP3 7565 0.467 -5.238 2.043 1.00 0.00 WT1 O ATOM 22076 H1 TIP3 7565 -0.855 -2.955 -17.181 1.00 0.00 WT1 H ATOM 22077 H2 TIP3 7565 0.646 -1.820 2.796 1.00 0.00 WT1 H ATOM 22078 OH2 TIP3 7566 -1.678 -0.334 -1.333 1.00 0.00 WT1 O ATOM 22079 H1 TIP3 7566 -3.744 -8.392 -20.576 1.00 0.00 WT1 H ATOM 22080 H2 TIP3 7566 30.976 5.645 1.566 1.00 0.00 WT1 H ATOM 22081 OH2 TIP3 7567 -5.701 2.599 -1.412 1.00 0.00 WT1 O ATOM 22082 H1 TIP3 7567 1.380 2.857 -5.078 1.00 0.00 WT1 H ATOM 22083 H2 TIP3 7567 5.088 -22.937 1.024 1.00 0.00 WT1 H ATOM 22084 OH2 TIP3 7568 -2.369 1.103 -7.630 1.00 0.00 WT1 O ATOM 22085 H1 TIP3 7568 11.276 -11.320 -19.492 1.00 0.00 WT1 H ATOM 22086 H2 TIP3 7568 -17.767 16.490 14.456 1.00 0.00 WT1 H ATOM 22087 OH2 TIP3 7569 4.355 -7.040 -3.590 1.00 0.00 WT1 O ATOM 22088 H1 TIP3 7569 2.775 2.010 -26.864 1.00 0.00 WT1 H ATOM 22089 H2 TIP3 7569 3.173 17.170 31.696 1.00 0.00 WT1 H ATOM 22090 OH2 TIP3 7570 -6.897 -0.787 1.119 1.00 0.00 WT1 O ATOM 22091 H1 TIP3 7570 -6.095 -10.534 -0.715 1.00 0.00 WT1 H ATOM 22092 H2 TIP3 7570 31.240 -1.147 6.111 1.00 0.00 WT1 H ATOM 22093 OH2 TIP3 7571 -0.848 -3.038 2.536 1.00 0.00 WT1 O ATOM 22094 H1 TIP3 7571 2.767 3.215 -5.529 1.00 0.00 WT1 H ATOM 22095 H2 TIP3 7571 2.638 -0.574 -2.311 1.00 0.00 WT1 H ATOM 22096 OH2 TIP3 7572 -0.470 1.456 1.874 1.00 0.00 WT1 O ATOM 22097 H1 TIP3 7572 -0.425 -1.253 -4.992 1.00 0.00 WT1 H ATOM 22098 H2 TIP3 7572 -7.215 9.088 5.296 1.00 0.00 WT1 H ATOM 22099 OH2 TIP3 7573 -6.867 -2.530 -3.162 1.00 0.00 WT1 O ATOM 22100 H1 TIP3 7573 -7.454 -5.293 7.526 1.00 0.00 WT1 H ATOM 22101 H2 TIP3 7573 -12.210 7.260 6.772 1.00 0.00 WT1 H ATOM 22102 OH2 TIP3 7574 -3.057 2.536 3.756 1.00 0.00 WT1 O ATOM 22103 H1 TIP3 7574 3.194 2.510 3.651 1.00 0.00 WT1 H ATOM 22104 H2 TIP3 7574 -1.205 11.210 -6.865 1.00 0.00 WT1 H ATOM 22105 OH2 TIP3 7575 5.332 6.963 4.533 1.00 0.00 WT1 O ATOM 22106 H1 TIP3 7575 6.070 4.675 6.663 1.00 0.00 WT1 H ATOM 22107 H2 TIP3 7575 20.157 -18.241 -7.755 1.00 0.00 WT1 H ATOM 22108 OH2 TIP3 7576 0.623 6.901 -1.242 1.00 0.00 WT1 O ATOM 22109 H1 TIP3 7576 15.377 9.044 -1.727 1.00 0.00 WT1 H ATOM 22110 H2 TIP3 7576 3.824 0.022 4.404 1.00 0.00 WT1 H ATOM 22111 OH2 TIP3 7577 2.116 -1.161 3.611 1.00 0.00 WT1 O ATOM 22112 H1 TIP3 7577 -8.112 18.671 14.282 1.00 0.00 WT1 H ATOM 22113 H2 TIP3 7577 32.841 -7.340 26.407 1.00 0.00 WT1 H ATOM 22114 OH2 TIP3 7578 2.989 1.154 4.983 1.00 0.00 WT1 O ATOM 22115 H1 TIP3 7578 3.794 -5.869 4.706 1.00 0.00 WT1 H ATOM 22116 H2 TIP3 7578 5.292 21.609 18.319 1.00 0.00 WT1 H ATOM 22117 OH2 TIP3 7579 -7.751 -5.470 2.314 1.00 0.00 WT1 O ATOM 22118 H1 TIP3 7579 7.048 -9.900 -32.331 1.00 0.00 WT1 H ATOM 22119 H2 TIP3 7579 -20.917 -29.148 16.679 1.00 0.00 WT1 H ATOM 22120 OH2 TIP3 7580 -1.357 3.363 3.220 1.00 0.00 WT1 O ATOM 22121 H1 TIP3 7580 -6.384 5.800 -5.413 1.00 0.00 WT1 H ATOM 22122 H2 TIP3 7580 -3.418 -8.549 6.257 1.00 0.00 WT1 H ATOM 22123 OH2 TIP3 7581 -0.371 -6.871 2.425 1.00 0.00 WT1 O ATOM 22124 H1 TIP3 7581 12.881 0.115 1.387 1.00 0.00 WT1 H ATOM 22125 H2 TIP3 7581 5.084 -7.838 -5.436 1.00 0.00 WT1 H ATOM 22126 OH2 TIP3 7582 7.714 -1.667 2.518 1.00 0.00 WT1 O ATOM 22127 H1 TIP3 7582 11.655 -2.915 -5.072 1.00 0.00 WT1 H ATOM 22128 H2 TIP3 7582 12.297 -6.968 2.464 1.00 0.00 WT1 H ATOM 22129 OH2 TIP3 7584 9.230 1.952 -4.117 1.00 0.00 WT1 O ATOM 22130 H1 TIP3 7584 20.716 15.180 10.623 1.00 0.00 WT1 H ATOM 22131 H2 TIP3 7584 -11.947 9.651 -11.079 1.00 0.00 WT1 H ATOM 22132 OH2 TIP3 7585 -1.290 0.683 6.648 1.00 0.00 WT1 O ATOM 22133 H1 TIP3 7585 -10.772 12.230 -5.014 1.00 0.00 WT1 H ATOM 22134 H2 TIP3 7585 10.478 -0.937 2.063 1.00 0.00 WT1 H ATOM 22135 OH2 TIP3 7586 -0.270 2.423 8.001 1.00 0.00 WT1 O ATOM 22136 H1 TIP3 7586 2.771 10.882 -15.246 1.00 0.00 WT1 H ATOM 22137 H2 TIP3 7586 5.568 -21.140 7.743 1.00 0.00 WT1 H ATOM 22138 OH2 TIP3 7587 -0.270 0.635 2.932 1.00 0.00 WT1 O ATOM 22139 H1 TIP3 7587 3.719 7.126 -17.334 1.00 0.00 WT1 H ATOM 22140 H2 TIP3 7587 12.013 -18.517 18.702 1.00 0.00 WT1 H ATOM 22141 OH2 TIP3 7588 -0.523 -1.803 2.588 1.00 0.00 WT1 O ATOM 22142 H1 TIP3 7588 14.232 -16.282 1.858 1.00 0.00 WT1 H ATOM 22143 H2 TIP3 7588 11.571 -13.663 1.957 1.00 0.00 WT1 H ATOM 22144 OH2 TIP3 7589 2.268 1.944 2.127 1.00 0.00 WT1 O ATOM 22145 H1 TIP3 7589 -17.009 9.213 -10.962 1.00 0.00 WT1 H ATOM 22146 H2 TIP3 7589 -0.047 15.651 19.410 1.00 0.00 WT1 H ATOM 22147 OH2 TIP3 7590 2.064 2.608 3.141 1.00 0.00 WT1 O ATOM 22148 H1 TIP3 7590 27.706 11.003 -5.550 1.00 0.00 WT1 H ATOM 22149 H2 TIP3 7590 13.523 -0.398 20.990 1.00 0.00 WT1 H ATOM 22150 OH2 TIP3 7591 -2.594 -7.682 1.819 1.00 0.00 WT1 O ATOM 22151 H1 TIP3 7591 22.779 8.586 -16.584 1.00 0.00 WT1 H ATOM 22152 H2 TIP3 7591 -11.780 -9.615 5.716 1.00 0.00 WT1 H ATOM 22153 OH2 TIP3 7592 1.006 -6.871 2.539 1.00 0.00 WT1 O ATOM 22154 H1 TIP3 7592 6.881 -2.289 0.597 1.00 0.00 WT1 H ATOM 22155 H2 TIP3 7592 -9.028 -1.271 -1.156 1.00 0.00 WT1 H ATOM 22156 OH2 TIP3 7593 6.734 2.940 -1.639 1.00 0.00 WT1 O ATOM 22157 H1 TIP3 7593 3.811 11.339 -0.048 1.00 0.00 WT1 H ATOM 22158 H2 TIP3 7593 -2.507 0.256 -1.015 1.00 0.00 WT1 H ATOM 22159 OH2 TIP3 7594 -2.231 4.644 0.657 1.00 0.00 WT1 O ATOM 22160 H1 TIP3 7594 -3.474 10.643 -2.888 1.00 0.00 WT1 H ATOM 22161 H2 TIP3 7594 -12.035 12.854 2.100 1.00 0.00 WT1 H ATOM 22162 OH2 TIP3 7595 1.333 4.816 -5.460 1.00 0.00 WT1 O ATOM 22163 H1 TIP3 7595 -12.484 10.546 -9.000 1.00 0.00 WT1 H ATOM 22164 H2 TIP3 7595 -0.528 6.285 -5.852 1.00 0.00 WT1 H ATOM 22165 OH2 TIP3 7596 -11.983 -1.844 -8.610 1.00 0.00 WT1 O ATOM 22166 H1 TIP3 7596 -10.750 -26.242 -11.528 1.00 0.00 WT1 H ATOM 22167 H2 TIP3 7596 -9.231 31.749 -5.671 1.00 0.00 WT1 H ATOM 22168 OH2 TIP3 7597 8.715 0.045 -4.331 1.00 0.00 WT1 O ATOM 22169 H1 TIP3 7597 -18.171 -7.412 2.073 1.00 0.00 WT1 H ATOM 22170 H2 TIP3 7597 7.339 10.155 3.865 1.00 0.00 WT1 H ATOM 22171 OH2 TIP3 7598 1.744 3.959 -5.820 1.00 0.00 WT1 O ATOM 22172 H1 TIP3 7598 -17.542 4.468 -1.858 1.00 0.00 WT1 H ATOM 22173 H2 TIP3 7598 -24.507 -0.409 -7.907 1.00 0.00 WT1 H ATOM 22174 OH2 TIP3 7599 2.598 4.389 -7.569 1.00 0.00 WT1 O ATOM 22175 H1 TIP3 7599 -6.874 -20.387 -13.769 1.00 0.00 WT1 H ATOM 22176 H2 TIP3 7599 13.646 24.830 -31.641 1.00 0.00 WT1 H ATOM 22177 OH2 TIP3 7600 3.434 -1.311 -0.760 1.00 0.00 WT1 O ATOM 22178 H1 TIP3 7600 19.031 -24.974 8.313 1.00 0.00 WT1 H ATOM 22179 H2 TIP3 7600 -24.147 3.213 16.907 1.00 0.00 WT1 H ATOM 22180 OH2 TIP3 7601 -1.209 -1.771 0.315 1.00 0.00 WT1 O ATOM 22181 H1 TIP3 7601 -10.074 -8.144 5.985 1.00 0.00 WT1 H ATOM 22182 H2 TIP3 7601 -2.691 -6.438 -13.220 1.00 0.00 WT1 H ATOM 22183 OH2 TIP3 7602 4.511 -3.583 6.208 1.00 0.00 WT1 O ATOM 22184 H1 TIP3 7602 -4.883 -6.887 5.458 1.00 0.00 WT1 H ATOM 22185 H2 TIP3 7602 10.235 -0.246 -1.351 1.00 0.00 WT1 H ATOM 22186 OH2 TIP3 7603 2.809 -1.659 3.961 1.00 0.00 WT1 O ATOM 22187 H1 TIP3 7603 -3.763 -19.894 -19.384 1.00 0.00 WT1 H ATOM 22188 H2 TIP3 7603 -3.411 -14.903 32.591 1.00 0.00 WT1 H ATOM 22189 OH2 TIP3 7604 1.639 -0.862 -4.241 1.00 0.00 WT1 O ATOM 22190 H1 TIP3 7604 -6.089 0.992 0.725 1.00 0.00 WT1 H ATOM 22191 H2 TIP3 7604 3.915 -12.174 -12.279 1.00 0.00 WT1 H ATOM 22192 OH2 TIP3 7605 -4.832 2.964 -2.163 1.00 0.00 WT1 O ATOM 22193 H1 TIP3 7605 11.981 -2.823 2.857 1.00 0.00 WT1 H ATOM 22194 H2 TIP3 7605 -5.250 1.031 -12.113 1.00 0.00 WT1 H ATOM 22195 OH2 TIP3 7606 -5.997 -2.673 -0.895 1.00 0.00 WT1 O ATOM 22196 H1 TIP3 7606 -5.889 -4.565 -0.853 1.00 0.00 WT1 H ATOM 22197 H2 TIP3 7606 -3.842 18.892 12.807 1.00 0.00 WT1 H ATOM 22198 OH2 TIP3 7608 -5.258 -4.965 -1.305 1.00 0.00 WT1 O ATOM 22199 H1 TIP3 7608 -10.737 -10.353 -6.444 1.00 0.00 WT1 H ATOM 22200 H2 TIP3 7608 3.320 -9.346 -7.863 1.00 0.00 WT1 H ATOM 22201 OH2 TIP3 7609 -1.309 10.246 -2.104 1.00 0.00 WT1 O ATOM 22202 H1 TIP3 7609 7.082 11.240 0.592 1.00 0.00 WT1 H ATOM 22203 H2 TIP3 7609 9.732 12.139 0.616 1.00 0.00 WT1 H ATOM 22204 OH2 TIP3 7610 2.686 1.457 4.251 1.00 0.00 WT1 O ATOM 22205 H1 TIP3 7610 5.284 16.186 -2.795 1.00 0.00 WT1 H ATOM 22206 H2 TIP3 7610 6.904 -13.430 -11.113 1.00 0.00 WT1 H ATOM 22207 OH2 TIP3 7611 -0.641 -1.286 -0.789 1.00 0.00 WT1 O ATOM 22208 H1 TIP3 7611 17.802 -0.103 13.740 1.00 0.00 WT1 H ATOM 22209 H2 TIP3 7611 -17.103 9.943 -3.488 1.00 0.00 WT1 H ATOM 22210 OH2 TIP3 7612 -5.433 2.607 -2.069 1.00 0.00 WT1 O ATOM 22211 H1 TIP3 7612 6.283 -9.135 -8.471 1.00 0.00 WT1 H ATOM 22212 H2 TIP3 7612 -2.748 -5.787 3.807 1.00 0.00 WT1 H ATOM 22213 OH2 TIP3 7613 -5.116 5.667 -3.680 1.00 0.00 WT1 O ATOM 22214 H1 TIP3 7613 -20.804 -0.958 19.583 1.00 0.00 WT1 H ATOM 22215 H2 TIP3 7613 -16.964 11.988 -20.187 1.00 0.00 WT1 H ATOM 22216 OH2 TIP3 7614 3.598 -7.053 -4.616 1.00 0.00 WT1 O ATOM 22217 H1 TIP3 7614 28.440 7.839 13.908 1.00 0.00 WT1 H ATOM 22218 H2 TIP3 7614 3.963 -3.827 -34.878 1.00 0.00 WT1 H ATOM 22219 OH2 TIP3 7615 12.079 -0.167 4.369 1.00 0.00 WT1 O ATOM 22220 H1 TIP3 7615 13.932 -10.565 6.423 1.00 0.00 WT1 H ATOM 22221 H2 TIP3 7615 3.563 5.698 -3.519 1.00 0.00 WT1 H ATOM 22222 OH2 TIP3 7616 -8.072 4.455 -0.697 1.00 0.00 WT1 O ATOM 22223 H1 TIP3 7616 -7.336 6.711 -3.546 1.00 0.00 WT1 H ATOM 22224 H2 TIP3 7616 -4.448 18.236 6.179 1.00 0.00 WT1 H ATOM 22225 OH2 TIP3 7617 3.583 4.808 1.018 1.00 0.00 WT1 O ATOM 22226 H1 TIP3 7617 13.675 13.273 -11.358 1.00 0.00 WT1 H ATOM 22227 H2 TIP3 7617 -0.549 4.553 0.362 1.00 0.00 WT1 H ATOM 22228 OH2 TIP3 7618 5.889 -6.828 -0.503 1.00 0.00 WT1 O ATOM 22229 H1 TIP3 7618 1.221 -3.342 -15.986 1.00 0.00 WT1 H ATOM 22230 H2 TIP3 7618 9.580 -12.970 0.384 1.00 0.00 WT1 H ATOM 22231 OH2 TIP3 7619 1.128 -1.139 -5.092 1.00 0.00 WT1 O ATOM 22232 H1 TIP3 7619 13.470 -14.095 1.467 1.00 0.00 WT1 H ATOM 22233 H2 TIP3 7619 -10.881 5.618 11.755 1.00 0.00 WT1 H ATOM 22234 OH2 TIP3 7620 4.928 -0.094 -0.544 1.00 0.00 WT1 O ATOM 22235 H1 TIP3 7620 26.174 13.068 -6.666 1.00 0.00 WT1 H ATOM 22236 H2 TIP3 7620 5.847 13.150 -1.329 1.00 0.00 WT1 H ATOM 22237 OH2 TIP3 7621 2.545 2.166 -0.087 1.00 0.00 WT1 O ATOM 22238 H1 TIP3 7621 -8.493 -3.867 13.829 1.00 0.00 WT1 H ATOM 22239 H2 TIP3 7621 19.028 4.557 7.977 1.00 0.00 WT1 H ATOM 22240 OH2 TIP3 7622 5.425 -1.637 -2.834 1.00 0.00 WT1 O ATOM 22241 H1 TIP3 7622 3.075 -6.304 4.616 1.00 0.00 WT1 H ATOM 22242 H2 TIP3 7622 1.234 -2.720 5.522 1.00 0.00 WT1 H ATOM 22243 OH2 TIP3 7623 0.506 -0.668 0.002 1.00 0.00 WT1 O ATOM 22244 H1 TIP3 7623 -1.181 11.055 -10.205 1.00 0.00 WT1 H ATOM 22245 H2 TIP3 7623 3.898 2.564 5.107 1.00 0.00 WT1 H ATOM 22246 OH2 TIP3 7624 -4.980 -2.663 -0.948 1.00 0.00 WT1 O ATOM 22247 H1 TIP3 7624 4.116 -15.084 -13.908 1.00 0.00 WT1 H ATOM 22248 H2 TIP3 7624 -3.856 17.064 -3.168 1.00 0.00 WT1 H ATOM 22249 OH2 TIP3 7625 -4.155 4.354 -5.376 1.00 0.00 WT1 O ATOM 22250 H1 TIP3 7625 7.098 -1.209 -0.382 1.00 0.00 WT1 H ATOM 22251 H2 TIP3 7625 -15.055 -3.158 -16.510 1.00 0.00 WT1 H ATOM 22252 OH2 TIP3 7626 -4.350 4.060 8.208 1.00 0.00 WT1 O ATOM 22253 H1 TIP3 7626 8.887 9.013 10.971 1.00 0.00 WT1 H ATOM 22254 H2 TIP3 7626 -5.112 -8.138 7.537 1.00 0.00 WT1 H ATOM 22255 OH2 TIP3 7627 -4.466 -3.555 2.559 1.00 0.00 WT1 O ATOM 22256 H1 TIP3 7627 -18.433 -19.034 4.522 1.00 0.00 WT1 H ATOM 22257 H2 TIP3 7627 13.849 -13.737 4.072 1.00 0.00 WT1 H ATOM 22258 OH2 TIP3 7628 1.410 3.107 2.093 1.00 0.00 WT1 O ATOM 22259 H1 TIP3 7628 -1.526 -0.780 8.004 1.00 0.00 WT1 H ATOM 22260 H2 TIP3 7628 -8.340 -6.520 -3.257 1.00 0.00 WT1 H ATOM 22261 OH2 TIP3 7630 7.381 1.693 -3.860 1.00 0.00 WT1 O ATOM 22262 H1 TIP3 7630 4.843 3.385 -2.389 1.00 0.00 WT1 H ATOM 22263 H2 TIP3 7630 9.487 -0.070 -4.547 1.00 0.00 WT1 H ATOM 22264 OH2 TIP3 7631 -2.323 -5.909 -2.866 1.00 0.00 WT1 O ATOM 22265 H1 TIP3 7631 22.631 32.409 -4.835 1.00 0.00 WT1 H ATOM 22266 H2 TIP3 7631 5.718 18.357 -7.976 1.00 0.00 WT1 H ATOM 22267 OH2 TIP3 7632 -2.671 -8.310 -5.414 1.00 0.00 WT1 O ATOM 22268 H1 TIP3 7632 -10.789 -15.586 -12.632 1.00 0.00 WT1 H ATOM 22269 H2 TIP3 7632 -1.750 -2.089 -2.910 1.00 0.00 WT1 H ATOM 22270 OH2 TIP3 7633 3.274 -4.368 0.943 1.00 0.00 WT1 O ATOM 22271 H1 TIP3 7633 -2.585 0.853 -2.974 1.00 0.00 WT1 H ATOM 22272 H2 TIP3 7633 8.805 -2.471 -5.739 1.00 0.00 WT1 H ATOM 22273 OH2 TIP3 7634 0.886 -2.737 1.750 1.00 0.00 WT1 O ATOM 22274 H1 TIP3 7634 5.393 -1.663 15.592 1.00 0.00 WT1 H ATOM 22275 H2 TIP3 7634 11.581 -6.048 -6.960 1.00 0.00 WT1 H ATOM 22276 OH2 TIP3 7635 1.457 -4.181 -2.468 1.00 0.00 WT1 O ATOM 22277 H1 TIP3 7635 -11.232 -27.561 10.663 1.00 0.00 WT1 H ATOM 22278 H2 TIP3 7635 -7.121 14.186 14.403 1.00 0.00 WT1 H ATOM 22279 OH2 TIP3 7636 1.108 2.140 -0.618 1.00 0.00 WT1 O ATOM 22280 H1 TIP3 7636 -10.475 -2.997 0.045 1.00 0.00 WT1 H ATOM 22281 H2 TIP3 7636 -2.456 13.535 -15.417 1.00 0.00 WT1 H ATOM 22282 OH2 TIP3 7637 1.740 2.351 1.980 1.00 0.00 WT1 O ATOM 22283 H1 TIP3 7637 -18.563 -2.068 10.515 1.00 0.00 WT1 H ATOM 22284 H2 TIP3 7637 18.835 14.620 11.444 1.00 0.00 WT1 H ATOM 22285 OH2 TIP3 7638 -4.862 1.661 2.422 1.00 0.00 WT1 O ATOM 22286 H1 TIP3 7638 -9.113 14.974 -7.096 1.00 0.00 WT1 H ATOM 22287 H2 TIP3 7638 12.745 -5.369 -2.288 1.00 0.00 WT1 H ATOM 22288 OH2 TIP3 7639 -0.542 -2.116 5.854 1.00 0.00 WT1 O ATOM 22289 H1 TIP3 7639 2.964 -0.421 -4.967 1.00 0.00 WT1 H ATOM 22290 H2 TIP3 7639 -4.168 -22.398 10.443 1.00 0.00 WT1 H ATOM 22291 OH2 TIP3 7640 -0.632 2.230 -0.715 1.00 0.00 WT1 O ATOM 22292 H1 TIP3 7640 -19.413 17.248 11.105 1.00 0.00 WT1 H ATOM 22293 H2 TIP3 7640 11.306 6.589 -4.609 1.00 0.00 WT1 H ATOM 22294 OH2 TIP3 7641 -4.456 4.468 -1.785 1.00 0.00 WT1 O ATOM 22295 H1 TIP3 7641 -8.260 8.356 -5.833 1.00 0.00 WT1 H ATOM 22296 H2 TIP3 7641 0.355 -15.643 -3.515 1.00 0.00 WT1 H ATOM 22297 OH2 TIP3 7642 -3.312 7.036 -1.019 1.00 0.00 WT1 O ATOM 22298 H1 TIP3 7642 -5.241 0.842 2.072 1.00 0.00 WT1 H ATOM 22299 H2 TIP3 7642 1.277 -4.823 -2.729 1.00 0.00 WT1 H ATOM 22300 OH2 TIP3 7643 -2.237 -5.313 -0.631 1.00 0.00 WT1 O ATOM 22301 H1 TIP3 7643 1.622 16.463 -17.208 1.00 0.00 WT1 H ATOM 22302 H2 TIP3 7643 -11.317 15.870 -16.116 1.00 0.00 WT1 H ATOM 22303 OH2 TIP3 7644 1.142 2.809 -1.739 1.00 0.00 WT1 O ATOM 22304 H1 TIP3 7644 -1.357 3.577 -2.411 1.00 0.00 WT1 H ATOM 22305 H2 TIP3 7644 10.196 -1.726 0.679 1.00 0.00 WT1 H ATOM 22306 OH2 TIP3 7645 -3.224 -0.096 -1.369 1.00 0.00 WT1 O ATOM 22307 H1 TIP3 7645 -8.295 3.783 -6.547 1.00 0.00 WT1 H ATOM 22308 H2 TIP3 7645 -5.757 -14.195 -2.445 1.00 0.00 WT1 H ATOM 22309 OH2 TIP3 7646 4.602 -1.235 -8.533 1.00 0.00 WT1 O ATOM 22310 H1 TIP3 7646 3.933 0.004 -8.427 1.00 0.00 WT1 H ATOM 22311 H2 TIP3 7646 4.854 0.465 -11.828 1.00 0.00 WT1 H ATOM 22312 OH2 TIP3 7647 0.361 -3.331 4.123 1.00 0.00 WT1 O ATOM 22313 H1 TIP3 7647 -6.193 -11.520 -1.149 1.00 0.00 WT1 H ATOM 22314 H2 TIP3 7647 8.892 13.684 8.704 1.00 0.00 WT1 H ATOM 22315 OH2 TIP3 7648 -2.950 -4.927 -6.340 1.00 0.00 WT1 O ATOM 22316 H1 TIP3 7648 3.286 -6.569 -13.305 1.00 0.00 WT1 H ATOM 22317 H2 TIP3 7648 -14.435 15.369 8.753 1.00 0.00 WT1 H ATOM 22318 OH2 TIP3 7649 -5.676 -2.625 -6.991 1.00 0.00 WT1 O ATOM 22319 H1 TIP3 7649 -18.888 19.490 1.815 1.00 0.00 WT1 H ATOM 22320 H2 TIP3 7649 22.823 -10.701 -4.901 1.00 0.00 WT1 H ATOM 22321 OH2 TIP3 7650 -8.797 9.437 -2.306 1.00 0.00 WT1 O ATOM 22322 H1 TIP3 7650 -6.800 17.841 4.878 1.00 0.00 WT1 H ATOM 22323 H2 TIP3 7650 -13.161 -9.684 -20.586 1.00 0.00 WT1 H ATOM 22324 OH2 TIP3 7651 3.646 10.081 0.456 1.00 0.00 WT1 O ATOM 22325 H1 TIP3 7651 3.724 0.174 4.135 1.00 0.00 WT1 H ATOM 22326 H2 TIP3 7651 1.117 9.537 -12.381 1.00 0.00 WT1 H ATOM 22327 OH2 TIP3 7652 1.657 -0.011 5.127 1.00 0.00 WT1 O ATOM 22328 H1 TIP3 7652 -0.403 -0.531 3.957 1.00 0.00 WT1 H ATOM 22329 H2 TIP3 7652 -3.566 -2.634 2.446 1.00 0.00 WT1 H ATOM 22330 OH2 TIP3 7653 -2.571 -0.159 -3.546 1.00 0.00 WT1 O ATOM 22331 H1 TIP3 7653 1.576 18.546 -5.608 1.00 0.00 WT1 H ATOM 22332 H2 TIP3 7653 4.675 -2.385 14.132 1.00 0.00 WT1 H ATOM 22333 OH2 TIP3 7654 7.217 0.767 -1.197 1.00 0.00 WT1 O ATOM 22334 H1 TIP3 7654 4.911 -2.973 -7.121 1.00 0.00 WT1 H ATOM 22335 H2 TIP3 7654 6.849 0.166 -1.386 1.00 0.00 WT1 H ATOM 22336 OH2 TIP3 7655 -2.650 -0.859 2.681 1.00 0.00 WT1 O ATOM 22337 H1 TIP3 7655 -4.076 -7.440 -2.286 1.00 0.00 WT1 H ATOM 22338 H2 TIP3 7655 5.400 2.489 10.840 1.00 0.00 WT1 H ATOM 22339 OH2 TIP3 7656 0.526 -3.935 4.206 1.00 0.00 WT1 O ATOM 22340 H1 TIP3 7656 1.619 -9.170 -26.856 1.00 0.00 WT1 H ATOM 22341 H2 TIP3 7656 -0.628 1.044 43.465 1.00 0.00 WT1 H ATOM 22342 OH2 TIP3 7657 5.884 -2.774 -4.281 1.00 0.00 WT1 O ATOM 22343 H1 TIP3 7657 -2.804 -9.697 -3.768 1.00 0.00 WT1 H ATOM 22344 H2 TIP3 7657 12.313 -4.724 -13.146 1.00 0.00 WT1 H ATOM 22345 OH2 TIP3 7658 0.203 7.355 9.049 1.00 0.00 WT1 O ATOM 22346 H1 TIP3 7658 0.254 9.920 -1.903 1.00 0.00 WT1 H ATOM 22347 H2 TIP3 7658 -6.472 10.520 26.260 1.00 0.00 WT1 H ATOM 22348 OH2 TIP3 7659 -8.206 2.754 -0.223 1.00 0.00 WT1 O ATOM 22349 H1 TIP3 7659 -8.329 1.163 -7.925 1.00 0.00 WT1 H ATOM 22350 H2 TIP3 7659 0.424 1.877 4.581 1.00 0.00 WT1 H ATOM 22351 OH2 TIP3 7660 4.711 -1.340 -10.318 1.00 0.00 WT1 O ATOM 22352 H1 TIP3 7660 -4.009 -4.101 7.482 1.00 0.00 WT1 H ATOM 22353 H2 TIP3 7660 14.003 -19.528 -4.317 1.00 0.00 WT1 H ATOM 22354 OH2 TIP3 7661 -6.484 3.737 -1.076 1.00 0.00 WT1 O ATOM 22355 H1 TIP3 7661 6.865 -26.302 -15.756 1.00 0.00 WT1 H ATOM 22356 H2 TIP3 7661 -4.639 25.523 3.774 1.00 0.00 WT1 H ATOM 22357 OH2 TIP3 7662 -6.642 -0.682 4.538 1.00 0.00 WT1 O ATOM 22358 H1 TIP3 7662 -24.586 1.716 5.092 1.00 0.00 WT1 H ATOM 22359 H2 TIP3 7662 -4.044 -0.124 -17.857 1.00 0.00 WT1 H ATOM 22360 OH2 TIP3 7663 -5.149 -0.013 -11.027 1.00 0.00 WT1 O ATOM 22361 H1 TIP3 7663 7.511 -2.225 9.183 1.00 0.00 WT1 H ATOM 22362 H2 TIP3 7663 -10.781 -7.617 -4.977 1.00 0.00 WT1 H ATOM 22363 OH2 TIP3 7664 0.244 -0.528 -0.023 1.00 0.00 WT1 O ATOM 22364 H1 TIP3 7664 17.731 -6.087 2.015 1.00 0.00 WT1 H ATOM 22365 H2 TIP3 7664 -11.301 1.188 -2.841 1.00 0.00 WT1 H ATOM 22366 OH2 TIP3 7665 -7.232 -0.418 -7.956 1.00 0.00 WT1 O ATOM 22367 H1 TIP3 7665 -0.537 -33.389 1.442 1.00 0.00 WT1 H ATOM 22368 H2 TIP3 7665 -5.619 8.538 5.587 1.00 0.00 WT1 H ATOM 22369 OH2 TIP3 7666 10.038 -0.243 4.719 1.00 0.00 WT1 O ATOM 22370 H1 TIP3 7666 -6.723 2.885 11.766 1.00 0.00 WT1 H ATOM 22371 H2 TIP3 7666 4.790 -9.967 -7.053 1.00 0.00 WT1 H ATOM 22372 OH2 TIP3 7667 -1.331 -5.737 -7.795 1.00 0.00 WT1 O ATOM 22373 H1 TIP3 7667 3.136 -9.446 -27.616 1.00 0.00 WT1 H ATOM 22374 H2 TIP3 7667 0.241 -0.168 2.365 1.00 0.00 WT1 H ATOM 22375 OH2 TIP3 7668 -1.033 -1.043 -4.005 1.00 0.00 WT1 O ATOM 22376 H1 TIP3 7668 -14.819 -15.219 15.524 1.00 0.00 WT1 H ATOM 22377 H2 TIP3 7668 4.419 2.782 3.331 1.00 0.00 WT1 H ATOM 22378 OH2 TIP3 7669 2.222 -6.045 -3.372 1.00 0.00 WT1 O ATOM 22379 H1 TIP3 7669 6.137 10.344 -14.786 1.00 0.00 WT1 H ATOM 22380 H2 TIP3 7669 -9.826 -0.651 -9.031 1.00 0.00 WT1 H ATOM 22381 OH2 TIP3 7670 2.697 -12.119 -5.556 1.00 0.00 WT1 O ATOM 22382 H1 TIP3 7670 21.050 -27.165 4.436 1.00 0.00 WT1 H ATOM 22383 H2 TIP3 7670 -14.011 2.785 -15.210 1.00 0.00 WT1 H ATOM 22384 OH2 TIP3 7671 6.609 3.850 -1.688 1.00 0.00 WT1 O ATOM 22385 H1 TIP3 7671 1.360 -2.354 4.802 1.00 0.00 WT1 H ATOM 22386 H2 TIP3 7671 4.184 10.074 -3.839 1.00 0.00 WT1 H ATOM 22387 OH2 TIP3 7672 3.750 -3.170 1.350 1.00 0.00 WT1 O ATOM 22388 H1 TIP3 7672 -6.223 -0.477 6.221 1.00 0.00 WT1 H ATOM 22389 H2 TIP3 7672 -18.037 -27.024 -0.929 1.00 0.00 WT1 H ATOM 22390 OH2 TIP3 7673 -1.266 3.560 -5.716 1.00 0.00 WT1 O ATOM 22391 H1 TIP3 7673 7.292 -3.676 -10.345 1.00 0.00 WT1 H ATOM 22392 H2 TIP3 7673 -7.469 11.534 8.956 1.00 0.00 WT1 H ATOM 22393 OH2 TIP3 7674 1.487 -2.577 4.267 1.00 0.00 WT1 O ATOM 22394 H1 TIP3 7674 -16.550 -14.613 12.058 1.00 0.00 WT1 H ATOM 22395 H2 TIP3 7674 6.904 15.491 1.400 1.00 0.00 WT1 H ATOM 22396 OH2 TIP3 7675 2.202 -1.047 1.920 1.00 0.00 WT1 O ATOM 22397 H1 TIP3 7675 8.479 -21.020 -42.369 1.00 0.00 WT1 H ATOM 22398 H2 TIP3 7675 3.482 15.041 -16.558 1.00 0.00 WT1 H ATOM 22399 OH2 TIP3 7676 -3.065 -3.805 -9.570 1.00 0.00 WT1 O ATOM 22400 H1 TIP3 7676 -2.146 8.885 14.150 1.00 0.00 WT1 H ATOM 22401 H2 TIP3 7676 19.695 6.515 -11.150 1.00 0.00 WT1 H ATOM 22402 OH2 TIP3 7677 2.664 -3.664 0.826 1.00 0.00 WT1 O ATOM 22403 H1 TIP3 7677 -3.777 21.521 -9.122 1.00 0.00 WT1 H ATOM 22404 H2 TIP3 7677 -15.392 2.358 7.445 1.00 0.00 WT1 H ATOM 22405 OH2 TIP3 7678 -1.775 -2.367 -3.595 1.00 0.00 WT1 O ATOM 22406 H1 TIP3 7678 -4.863 4.599 4.441 1.00 0.00 WT1 H ATOM 22407 H2 TIP3 7678 3.373 -13.867 1.048 1.00 0.00 WT1 H ATOM 22408 OH2 TIP3 7679 -7.336 3.401 0.956 1.00 0.00 WT1 O ATOM 22409 H1 TIP3 7679 1.036 -8.364 -11.303 1.00 0.00 WT1 H ATOM 22410 H2 TIP3 7679 -7.761 2.817 7.340 1.00 0.00 WT1 H ATOM 22411 OH2 TIP3 7680 1.025 4.151 -2.779 1.00 0.00 WT1 O ATOM 22412 H1 TIP3 7680 11.111 -19.115 -9.803 1.00 0.00 WT1 H ATOM 22413 H2 TIP3 7680 -4.473 36.305 2.217 1.00 0.00 WT1 H ATOM 22414 OH2 TIP3 7681 -3.875 -0.659 -2.742 1.00 0.00 WT1 O ATOM 22415 H1 TIP3 7681 -18.522 2.330 5.279 1.00 0.00 WT1 H ATOM 22416 H2 TIP3 7681 5.993 -0.198 10.843 1.00 0.00 WT1 H ATOM 22417 OH2 TIP3 7682 -1.083 -1.254 -5.942 1.00 0.00 WT1 O ATOM 22418 H1 TIP3 7682 -4.559 9.549 5.339 1.00 0.00 WT1 H ATOM 22419 H2 TIP3 7682 7.230 -4.523 -25.232 1.00 0.00 WT1 H ATOM 22420 OH2 TIP3 7683 5.221 -1.553 -4.128 1.00 0.00 WT1 O ATOM 22421 H1 TIP3 7683 -5.368 -22.185 7.150 1.00 0.00 WT1 H ATOM 22422 H2 TIP3 7683 12.639 20.143 -14.069 1.00 0.00 WT1 H ATOM 22423 OH2 TIP3 7684 -1.079 -1.023 -1.829 1.00 0.00 WT1 O ATOM 22424 H1 TIP3 7684 5.220 -15.932 -5.374 1.00 0.00 WT1 H ATOM 22425 H2 TIP3 7684 7.770 4.882 -7.918 1.00 0.00 WT1 H ATOM 22426 OH2 TIP3 7685 0.092 -6.048 1.312 1.00 0.00 WT1 O ATOM 22427 H1 TIP3 7685 8.586 -18.666 -2.823 1.00 0.00 WT1 H ATOM 22428 H2 TIP3 7685 -9.297 11.004 -2.032 1.00 0.00 WT1 H ATOM 22429 OH2 TIP3 7686 8.435 2.675 -0.298 1.00 0.00 WT1 O ATOM 22430 H1 TIP3 7686 -23.016 12.285 -9.141 1.00 0.00 WT1 H ATOM 22431 H2 TIP3 7686 -0.924 21.064 -13.679 1.00 0.00 WT1 H ATOM 22432 OH2 TIP3 7687 -1.025 -3.660 0.964 1.00 0.00 WT1 O ATOM 22433 H1 TIP3 7687 19.046 -5.520 -15.740 1.00 0.00 WT1 H ATOM 22434 H2 TIP3 7687 -23.526 0.440 8.079 1.00 0.00 WT1 H ATOM 22435 OH2 TIP3 7688 -6.120 -3.846 -2.548 1.00 0.00 WT1 O ATOM 22436 H1 TIP3 7688 -2.510 -8.480 -17.863 1.00 0.00 WT1 H ATOM 22437 H2 TIP3 7688 -10.138 -2.543 0.957 1.00 0.00 WT1 H ATOM 22438 OH2 TIP3 7689 -1.145 4.717 0.176 1.00 0.00 WT1 O ATOM 22439 H1 TIP3 7689 19.792 3.684 -1.294 1.00 0.00 WT1 H ATOM 22440 H2 TIP3 7689 2.620 5.867 0.028 1.00 0.00 WT1 H ATOM 22441 OH2 TIP3 7690 0.211 6.718 -0.103 1.00 0.00 WT1 O ATOM 22442 H1 TIP3 7690 4.230 -5.430 7.874 1.00 0.00 WT1 H ATOM 22443 H2 TIP3 7690 1.717 11.777 -9.579 1.00 0.00 WT1 H ATOM 22444 OH2 TIP3 7691 3.359 2.724 -3.915 1.00 0.00 WT1 O ATOM 22445 H1 TIP3 7691 -16.269 3.706 -13.535 1.00 0.00 WT1 H ATOM 22446 H2 TIP3 7691 1.071 -1.113 14.766 1.00 0.00 WT1 H ATOM 22447 OH2 TIP3 7692 4.404 1.237 -4.098 1.00 0.00 WT1 O ATOM 22448 H1 TIP3 7692 2.168 -8.431 8.482 1.00 0.00 WT1 H ATOM 22449 H2 TIP3 7692 2.291 11.624 -18.400 1.00 0.00 WT1 H ATOM 22450 OH2 TIP3 7693 1.094 -1.966 -5.383 1.00 0.00 WT1 O ATOM 22451 H1 TIP3 7693 -4.813 2.656 6.339 1.00 0.00 WT1 H ATOM 22452 H2 TIP3 7693 -3.924 -32.295 -30.222 1.00 0.00 WT1 H ATOM 22453 OH2 TIP3 7694 -3.719 -4.913 -3.167 1.00 0.00 WT1 O ATOM 22454 H1 TIP3 7694 1.466 -0.178 5.896 1.00 0.00 WT1 H ATOM 22455 H2 TIP3 7694 -23.889 -7.300 -0.918 1.00 0.00 WT1 H ATOM 22456 OH2 TIP3 7695 1.353 4.508 2.410 1.00 0.00 WT1 O ATOM 22457 H1 TIP3 7695 5.489 5.597 2.752 1.00 0.00 WT1 H ATOM 22458 H2 TIP3 7695 -1.158 3.104 1.552 1.00 0.00 WT1 H ATOM 22459 OH2 TIP3 7696 5.317 -6.937 -2.182 1.00 0.00 WT1 O ATOM 22460 H1 TIP3 7696 -1.847 18.288 0.307 1.00 0.00 WT1 H ATOM 22461 H2 TIP3 7696 -0.837 -6.767 3.974 1.00 0.00 WT1 H ATOM 22462 OH2 TIP3 7697 -7.132 -3.962 -4.189 1.00 0.00 WT1 O ATOM 22463 H1 TIP3 7697 -2.653 -11.445 -17.226 1.00 0.00 WT1 H ATOM 22464 H2 TIP3 7697 -6.175 -6.704 -3.232 1.00 0.00 WT1 H ATOM 22465 OH2 TIP3 7698 -0.876 -9.752 6.352 1.00 0.00 WT1 O ATOM 22466 H1 TIP3 7698 29.202 6.814 11.233 1.00 0.00 WT1 H ATOM 22467 H2 TIP3 7698 11.329 1.771 -9.482 1.00 0.00 WT1 H ATOM 22468 OH2 TIP3 7699 -4.344 -2.674 3.125 1.00 0.00 WT1 O ATOM 22469 H1 TIP3 7699 12.323 -0.381 -1.227 1.00 0.00 WT1 H ATOM 22470 H2 TIP3 7699 -6.703 -8.370 2.631 1.00 0.00 WT1 H ATOM 22471 OH2 TIP3 7700 -4.337 -8.519 -3.466 1.00 0.00 WT1 O ATOM 22472 H1 TIP3 7700 1.256 12.531 -5.831 1.00 0.00 WT1 H ATOM 22473 H2 TIP3 7700 -0.151 7.291 -5.186 1.00 0.00 WT1 H ATOM 22474 OH2 TIP3 7701 -0.728 0.666 5.898 1.00 0.00 WT1 O ATOM 22475 H1 TIP3 7701 4.121 -24.188 5.799 1.00 0.00 WT1 H ATOM 22476 H2 TIP3 7701 7.741 16.651 3.908 1.00 0.00 WT1 H ATOM 22477 OH2 TIP3 7703 1.618 5.947 -3.329 1.00 0.00 WT1 O ATOM 22478 H1 TIP3 7703 -5.263 8.424 5.270 1.00 0.00 WT1 H ATOM 22479 H2 TIP3 7703 8.791 2.111 -2.518 1.00 0.00 WT1 H ATOM 22480 OH2 TIP3 7704 -3.676 2.307 -2.728 1.00 0.00 WT1 O ATOM 22481 H1 TIP3 7704 -18.606 18.541 -13.118 1.00 0.00 WT1 H ATOM 22482 H2 TIP3 7704 9.739 -3.439 -33.816 1.00 0.00 WT1 H ATOM 22483 OH2 TIP3 7705 1.456 4.852 2.834 1.00 0.00 WT1 O ATOM 22484 H1 TIP3 7705 13.817 -8.785 38.807 1.00 0.00 WT1 H ATOM 22485 H2 TIP3 7705 13.256 -1.409 -8.627 1.00 0.00 WT1 H ATOM 22486 OH2 TIP3 7706 -2.238 3.069 -1.873 1.00 0.00 WT1 O ATOM 22487 H1 TIP3 7706 1.636 -0.290 0.793 1.00 0.00 WT1 H ATOM 22488 H2 TIP3 7706 2.017 -7.272 -25.363 1.00 0.00 WT1 H ATOM 22489 OH2 TIP3 7707 -2.211 3.013 -2.825 1.00 0.00 WT1 O ATOM 22490 H1 TIP3 7707 0.362 8.404 -6.016 1.00 0.00 WT1 H ATOM 22491 H2 TIP3 7707 -0.351 -5.609 -3.333 1.00 0.00 WT1 H ATOM 22492 OH2 TIP3 7708 5.275 -3.471 0.496 1.00 0.00 WT1 O ATOM 22493 H1 TIP3 7708 5.484 -4.537 -3.026 1.00 0.00 WT1 H ATOM 22494 H2 TIP3 7708 13.982 -6.062 -3.585 1.00 0.00 WT1 H ATOM 22495 OH2 TIP3 7709 -0.145 -1.066 -1.574 1.00 0.00 WT1 O ATOM 22496 H1 TIP3 7709 -25.064 7.152 -3.023 1.00 0.00 WT1 H ATOM 22497 H2 TIP3 7709 5.823 0.996 -0.629 1.00 0.00 WT1 H ATOM 22498 OH2 TIP3 7710 0.223 -0.390 -5.477 1.00 0.00 WT1 O ATOM 22499 H1 TIP3 7710 -9.703 20.381 24.109 1.00 0.00 WT1 H ATOM 22500 H2 TIP3 7710 6.313 -33.175 -0.078 1.00 0.00 WT1 H ATOM 22501 OH2 TIP3 7711 -1.828 -2.656 -5.490 1.00 0.00 WT1 O ATOM 22502 H1 TIP3 7711 8.153 7.404 -9.161 1.00 0.00 WT1 H ATOM 22503 H2 TIP3 7711 12.452 13.846 -2.009 1.00 0.00 WT1 H ATOM 22504 OH2 TIP3 7712 -0.919 -0.693 1.918 1.00 0.00 WT1 O ATOM 22505 H1 TIP3 7712 2.250 -3.015 9.391 1.00 0.00 WT1 H ATOM 22506 H2 TIP3 7712 3.916 5.458 0.769 1.00 0.00 WT1 H ATOM 22507 OH2 TIP3 7713 -2.483 1.461 -9.214 1.00 0.00 WT1 O ATOM 22508 H1 TIP3 7713 -8.215 -15.041 -4.297 1.00 0.00 WT1 H ATOM 22509 H2 TIP3 7713 -3.312 6.700 13.729 1.00 0.00 WT1 H ATOM 22510 OH2 TIP3 7714 3.148 -1.274 0.139 1.00 0.00 WT1 O ATOM 22511 H1 TIP3 7714 14.824 3.017 -9.326 1.00 0.00 WT1 H ATOM 22512 H2 TIP3 7714 -26.758 6.469 -9.356 1.00 0.00 WT1 H ATOM 22513 OH2 TIP3 7715 4.244 5.070 -0.251 1.00 0.00 WT1 O ATOM 22514 H1 TIP3 7715 29.700 25.388 11.453 1.00 0.00 WT1 H ATOM 22515 H2 TIP3 7715 8.305 8.077 3.009 1.00 0.00 WT1 H ATOM 22516 OH2 TIP3 7716 0.839 -7.274 -0.071 1.00 0.00 WT1 O ATOM 22517 H1 TIP3 7716 15.728 -7.945 10.945 1.00 0.00 WT1 H ATOM 22518 H2 TIP3 7716 -19.732 -0.679 -1.518 1.00 0.00 WT1 H ATOM 22519 OH2 TIP3 7717 7.340 3.070 2.266 1.00 0.00 WT1 O ATOM 22520 H1 TIP3 7717 5.331 1.200 2.455 1.00 0.00 WT1 H ATOM 22521 H2 TIP3 7717 2.921 -19.356 -5.787 1.00 0.00 WT1 H ATOM 22522 OH2 TIP3 7718 -3.485 -1.222 1.117 1.00 0.00 WT1 O ATOM 22523 H1 TIP3 7718 0.165 -6.213 15.682 1.00 0.00 WT1 H ATOM 22524 H2 TIP3 7718 -6.827 8.917 -8.408 1.00 0.00 WT1 H ATOM 22525 OH2 TIP3 7719 -0.777 0.860 0.436 1.00 0.00 WT1 O ATOM 22526 H1 TIP3 7719 12.645 0.991 -0.505 1.00 0.00 WT1 H ATOM 22527 H2 TIP3 7719 13.072 -3.023 12.857 1.00 0.00 WT1 H ATOM 22528 OH2 TIP3 7720 -9.001 -1.413 5.352 1.00 0.00 WT1 O ATOM 22529 H1 TIP3 7720 -15.943 2.498 8.691 1.00 0.00 WT1 H ATOM 22530 H2 TIP3 7720 -7.344 -13.222 -8.996 1.00 0.00 WT1 H ATOM 22531 OH2 TIP3 7721 -7.665 -5.825 3.645 1.00 0.00 WT1 O ATOM 22532 H1 TIP3 7721 6.657 -3.423 -5.561 1.00 0.00 WT1 H ATOM 22533 H2 TIP3 7721 5.552 -6.904 0.549 1.00 0.00 WT1 H ATOM 22534 OH2 TIP3 7722 4.157 1.127 1.538 1.00 0.00 WT1 O ATOM 22535 H1 TIP3 7722 7.117 1.104 -6.423 1.00 0.00 WT1 H ATOM 22536 H2 TIP3 7722 2.984 -1.682 -8.708 1.00 0.00 WT1 H ATOM 22537 OH2 TIP3 7723 1.447 1.230 -1.388 1.00 0.00 WT1 O ATOM 22538 H1 TIP3 7723 -0.020 -13.557 1.190 1.00 0.00 WT1 H ATOM 22539 H2 TIP3 7723 -4.972 8.604 4.534 1.00 0.00 WT1 H ATOM 22540 OH2 TIP3 7724 0.257 4.377 2.853 1.00 0.00 WT1 O ATOM 22541 H1 TIP3 7724 0.238 -0.704 4.114 1.00 0.00 WT1 H ATOM 22542 H2 TIP3 7724 4.458 9.046 6.313 1.00 0.00 WT1 H ATOM 22543 OH2 TIP3 7725 1.072 3.487 -7.114 1.00 0.00 WT1 O ATOM 22544 H1 TIP3 7725 -7.592 -4.864 -10.466 1.00 0.00 WT1 H ATOM 22545 H2 TIP3 7725 13.878 -7.249 2.314 1.00 0.00 WT1 H ATOM 22546 OH2 TIP3 7726 -7.784 1.946 1.303 1.00 0.00 WT1 O ATOM 22547 H1 TIP3 7726 35.303 -9.283 -10.645 1.00 0.00 WT1 H ATOM 22548 H2 TIP3 7726 -6.894 4.115 6.735 1.00 0.00 WT1 H ATOM 22549 OH2 TIP3 7727 -1.992 -1.631 -1.279 1.00 0.00 WT1 O ATOM 22550 H1 TIP3 7727 0.865 -21.192 7.889 1.00 0.00 WT1 H ATOM 22551 H2 TIP3 7727 -3.059 -17.139 6.717 1.00 0.00 WT1 H ATOM 22552 OH2 TIP3 7728 -7.130 -7.721 -8.265 1.00 0.00 WT1 O ATOM 22553 H1 TIP3 7728 -11.625 23.478 0.452 1.00 0.00 WT1 H ATOM 22554 H2 TIP3 7728 -8.809 6.520 -15.971 1.00 0.00 WT1 H ATOM 22555 OH2 TIP3 7729 3.369 5.682 -0.207 1.00 0.00 WT1 O ATOM 22556 H1 TIP3 7729 11.621 5.449 15.534 1.00 0.00 WT1 H ATOM 22557 H2 TIP3 7729 9.760 -7.728 -11.252 1.00 0.00 WT1 H ATOM 22558 OH2 TIP3 7730 -2.543 4.157 -8.494 1.00 0.00 WT1 O ATOM 22559 H1 TIP3 7730 9.612 -2.048 -16.555 1.00 0.00 WT1 H ATOM 22560 H2 TIP3 7730 21.902 2.242 -26.170 1.00 0.00 WT1 H ATOM 22561 OH2 TIP3 7731 -1.032 -0.343 -2.053 1.00 0.00 WT1 O ATOM 22562 H1 TIP3 7731 8.974 6.310 2.703 1.00 0.00 WT1 H ATOM 22563 H2 TIP3 7731 -25.074 -12.743 -5.804 1.00 0.00 WT1 H ATOM 22564 OH2 TIP3 7732 4.828 -3.118 -2.641 1.00 0.00 WT1 O ATOM 22565 H1 TIP3 7732 25.977 2.968 -1.703 1.00 0.00 WT1 H ATOM 22566 H2 TIP3 7732 -6.009 -4.236 -4.529 1.00 0.00 WT1 H ATOM 22567 OH2 TIP3 7733 -0.988 0.026 -1.577 1.00 0.00 WT1 O ATOM 22568 H1 TIP3 7733 -4.562 13.422 1.830 1.00 0.00 WT1 H ATOM 22569 H2 TIP3 7733 -6.475 -1.896 -15.779 1.00 0.00 WT1 H ATOM 22570 OH2 TIP3 7734 -0.402 1.426 -2.102 1.00 0.00 WT1 O ATOM 22571 H1 TIP3 7734 15.215 -6.698 24.973 1.00 0.00 WT1 H ATOM 22572 H2 TIP3 7734 9.196 -6.314 9.827 1.00 0.00 WT1 H ATOM 22573 OH2 TIP3 7735 2.333 -0.258 11.666 1.00 0.00 WT1 O ATOM 22574 H1 TIP3 7735 -6.118 10.585 28.550 1.00 0.00 WT1 H ATOM 22575 H2 TIP3 7735 11.332 -12.635 -13.451 1.00 0.00 WT1 H ATOM 22576 OH2 TIP3 7736 3.221 -1.512 -5.832 1.00 0.00 WT1 O ATOM 22577 H1 TIP3 7736 -6.965 -11.013 -16.567 1.00 0.00 WT1 H ATOM 22578 H2 TIP3 7736 9.269 10.219 5.673 1.00 0.00 WT1 H ATOM 22579 OH2 TIP3 7737 -0.581 -7.373 3.480 1.00 0.00 WT1 O ATOM 22580 H1 TIP3 7737 -2.523 -16.065 -12.667 1.00 0.00 WT1 H ATOM 22581 H2 TIP3 7737 1.113 -4.944 7.268 1.00 0.00 WT1 H ATOM 22582 OH2 TIP3 7738 1.746 -2.409 -5.152 1.00 0.00 WT1 O ATOM 22583 H1 TIP3 7738 -7.214 -16.658 11.132 1.00 0.00 WT1 H ATOM 22584 H2 TIP3 7738 6.607 0.771 -43.709 1.00 0.00 WT1 H ATOM 22585 OH2 TIP3 7739 -1.438 -7.113 2.429 1.00 0.00 WT1 O ATOM 22586 H1 TIP3 7739 12.374 0.469 13.542 1.00 0.00 WT1 H ATOM 22587 H2 TIP3 7739 -7.222 -3.713 -1.853 1.00 0.00 WT1 H ATOM 22588 OH2 TIP3 7740 -2.274 -3.029 3.267 1.00 0.00 WT1 O ATOM 22589 H1 TIP3 7740 -13.638 9.067 -21.821 1.00 0.00 WT1 H ATOM 22590 H2 TIP3 7740 17.290 -2.882 -11.824 1.00 0.00 WT1 H ATOM 22591 OH2 TIP3 7741 2.128 1.015 -4.594 1.00 0.00 WT1 O ATOM 22592 H1 TIP3 7741 6.153 -0.643 -18.276 1.00 0.00 WT1 H ATOM 22593 H2 TIP3 7741 -1.674 -6.363 8.317 1.00 0.00 WT1 H ATOM 22594 OH2 TIP3 7742 5.463 3.564 1.363 1.00 0.00 WT1 O ATOM 22595 H1 TIP3 7742 10.159 5.768 24.263 1.00 0.00 WT1 H ATOM 22596 H2 TIP3 7742 6.962 -5.063 17.830 1.00 0.00 WT1 H ATOM 22597 OH2 TIP3 7743 2.366 -1.278 4.893 1.00 0.00 WT1 O ATOM 22598 H1 TIP3 7743 3.338 9.163 -1.878 1.00 0.00 WT1 H ATOM 22599 H2 TIP3 7743 0.115 10.624 21.513 1.00 0.00 WT1 H ATOM 22600 OH2 TIP3 7744 1.675 3.018 -0.477 1.00 0.00 WT1 O ATOM 22601 H1 TIP3 7744 -5.504 19.744 -3.923 1.00 0.00 WT1 H ATOM 22602 H2 TIP3 7744 1.130 3.730 -10.415 1.00 0.00 WT1 H ATOM 22603 OH2 TIP3 7745 0.184 -1.832 -4.708 1.00 0.00 WT1 O ATOM 22604 H1 TIP3 7745 4.932 10.005 11.738 1.00 0.00 WT1 H ATOM 22605 H2 TIP3 7745 -29.209 -4.454 6.117 1.00 0.00 WT1 H ATOM 22606 OH2 TIP3 7746 -4.354 -3.724 1.690 1.00 0.00 WT1 O ATOM 22607 H1 TIP3 7746 -9.837 8.895 9.523 1.00 0.00 WT1 H ATOM 22608 H2 TIP3 7746 -0.828 -12.250 5.038 1.00 0.00 WT1 H ATOM 22609 OH2 TIP3 7747 3.809 0.304 1.956 1.00 0.00 WT1 O ATOM 22610 H1 TIP3 7747 1.797 -4.619 -8.592 1.00 0.00 WT1 H ATOM 22611 H2 TIP3 7747 -11.317 10.335 7.901 1.00 0.00 WT1 H ATOM 22612 OH2 TIP3 7748 2.638 1.571 4.201 1.00 0.00 WT1 O ATOM 22613 H1 TIP3 7748 -5.038 5.821 -14.019 1.00 0.00 WT1 H ATOM 22614 H2 TIP3 7748 -5.575 -3.756 -2.795 1.00 0.00 WT1 H ATOM 22615 OH2 TIP3 7750 -6.458 4.452 -4.645 1.00 0.00 WT1 O ATOM 22616 H1 TIP3 7750 5.267 -2.983 5.449 1.00 0.00 WT1 H ATOM 22617 H2 TIP3 7750 9.555 -5.598 8.636 1.00 0.00 WT1 H ATOM 22618 OH2 TIP3 7751 0.621 -4.534 1.278 1.00 0.00 WT1 O ATOM 22619 H1 TIP3 7751 0.823 -4.472 2.556 1.00 0.00 WT1 H ATOM 22620 H2 TIP3 7751 -0.278 -5.818 23.405 1.00 0.00 WT1 H ATOM 22621 OH2 TIP3 7752 -2.578 3.227 -4.857 1.00 0.00 WT1 O ATOM 22622 H1 TIP3 7752 -15.249 7.706 -6.368 1.00 0.00 WT1 H ATOM 22623 H2 TIP3 7752 -11.153 -32.173 8.921 1.00 0.00 WT1 H ATOM 22624 OH2 TIP3 7753 -3.145 -0.782 3.938 1.00 0.00 WT1 O ATOM 22625 H1 TIP3 7753 6.938 -9.161 19.669 1.00 0.00 WT1 H ATOM 22626 H2 TIP3 7753 -10.710 -15.228 -0.933 1.00 0.00 WT1 H ATOM 22627 OH2 TIP3 7754 2.595 -1.623 0.917 1.00 0.00 WT1 O ATOM 22628 H1 TIP3 7754 -30.729 16.625 29.255 1.00 0.00 WT1 H ATOM 22629 H2 TIP3 7754 12.406 -9.916 -8.295 1.00 0.00 WT1 H ATOM 22630 OH2 TIP3 7755 6.916 4.808 -0.671 1.00 0.00 WT1 O ATOM 22631 H1 TIP3 7755 25.412 0.079 -14.449 1.00 0.00 WT1 H ATOM 22632 H2 TIP3 7755 21.258 -3.677 -14.650 1.00 0.00 WT1 H ATOM 22633 OH2 TIP3 7757 0.977 -2.430 0.398 1.00 0.00 WT1 O ATOM 22634 H1 TIP3 7757 13.278 10.343 2.059 1.00 0.00 WT1 H ATOM 22635 H2 TIP3 7757 1.623 -11.283 -3.172 1.00 0.00 WT1 H ATOM 22636 OH2 TIP3 7758 0.501 4.015 -4.359 1.00 0.00 WT1 O ATOM 22637 H1 TIP3 7758 5.868 4.046 -8.645 1.00 0.00 WT1 H ATOM 22638 H2 TIP3 7758 -8.037 4.499 -8.176 1.00 0.00 WT1 H ATOM 22639 OH2 TIP3 7759 -0.987 -2.329 -0.977 1.00 0.00 WT1 O ATOM 22640 H1 TIP3 7759 -1.351 1.938 2.527 1.00 0.00 WT1 H ATOM 22641 H2 TIP3 7759 -18.507 -5.658 -0.509 1.00 0.00 WT1 H ATOM 22642 OH2 TIP3 7760 -0.975 -2.011 -5.500 1.00 0.00 WT1 O ATOM 22643 H1 TIP3 7760 -11.233 -4.021 -17.665 1.00 0.00 WT1 H ATOM 22644 H2 TIP3 7760 -8.460 18.838 15.871 1.00 0.00 WT1 H ATOM 22645 OH2 TIP3 7761 0.522 -7.003 7.273 1.00 0.00 WT1 O ATOM 22646 H1 TIP3 7761 -5.914 -39.965 -12.151 1.00 0.00 WT1 H ATOM 22647 H2 TIP3 7761 0.571 -9.151 5.801 1.00 0.00 WT1 H ATOM 22648 OH2 TIP3 7763 0.166 -3.512 3.707 1.00 0.00 WT1 O ATOM 22649 H1 TIP3 7763 10.008 5.240 -24.443 1.00 0.00 WT1 H ATOM 22650 H2 TIP3 7763 1.703 2.630 -15.531 1.00 0.00 WT1 H ATOM 22651 OH2 TIP3 7764 -6.236 -10.119 4.192 1.00 0.00 WT1 O ATOM 22652 H1 TIP3 7764 -7.546 -17.794 -2.193 1.00 0.00 WT1 H ATOM 22653 H2 TIP3 7764 0.699 -6.811 14.133 1.00 0.00 WT1 H ATOM 22654 OH2 TIP3 7765 -0.106 -1.954 5.944 1.00 0.00 WT1 O ATOM 22655 H1 TIP3 7765 24.437 14.628 2.567 1.00 0.00 WT1 H ATOM 22656 H2 TIP3 7765 -8.132 9.968 -1.632 1.00 0.00 WT1 H ATOM 22657 OH2 TIP3 7767 -3.592 -5.249 -4.344 1.00 0.00 WT1 O ATOM 22658 H1 TIP3 7767 3.192 4.607 6.973 1.00 0.00 WT1 H ATOM 22659 H2 TIP3 7767 -7.635 -5.673 -0.844 1.00 0.00 WT1 H ATOM 22660 OH2 TIP3 7768 9.200 4.917 -3.949 1.00 0.00 WT1 O ATOM 22661 H1 TIP3 7768 5.813 10.370 -10.940 1.00 0.00 WT1 H ATOM 22662 H2 TIP3 7768 -5.380 -17.242 2.580 1.00 0.00 WT1 H ATOM 22663 OH2 TIP3 7769 -2.317 -0.947 1.747 1.00 0.00 WT1 O ATOM 22664 H1 TIP3 7769 -0.755 0.076 7.445 1.00 0.00 WT1 H ATOM 22665 H2 TIP3 7769 -3.959 -24.988 -3.820 1.00 0.00 WT1 H ATOM 22666 OH2 TIP3 7770 0.217 0.119 1.477 1.00 0.00 WT1 O ATOM 22667 H1 TIP3 7770 -9.203 22.806 4.188 1.00 0.00 WT1 H ATOM 22668 H2 TIP3 7770 -9.535 8.196 -15.944 1.00 0.00 WT1 H ATOM 22669 OH2 TIP3 7771 -1.050 -1.175 3.354 1.00 0.00 WT1 O ATOM 22670 H1 TIP3 7771 -4.130 -1.129 -29.687 1.00 0.00 WT1 H ATOM 22671 H2 TIP3 7771 -1.529 -1.353 -5.540 1.00 0.00 WT1 H ATOM 22672 OH2 TIP3 7772 0.542 -6.735 -8.472 1.00 0.00 WT1 O ATOM 22673 H1 TIP3 7772 0.656 -2.161 -17.551 1.00 0.00 WT1 H ATOM 22674 H2 TIP3 7772 18.119 20.859 -1.961 1.00 0.00 WT1 H ATOM 22675 OH2 TIP3 7773 -4.955 -2.504 7.112 1.00 0.00 WT1 O ATOM 22676 H1 TIP3 7773 -2.144 -0.777 -1.628 1.00 0.00 WT1 H ATOM 22677 H2 TIP3 7773 -2.888 0.128 -2.187 1.00 0.00 WT1 H ATOM 22678 OH2 TIP3 7774 -2.188 3.235 3.674 1.00 0.00 WT1 O ATOM 22679 H1 TIP3 7774 12.162 -4.989 -17.726 1.00 0.00 WT1 H ATOM 22680 H2 TIP3 7774 -24.353 8.045 -5.867 1.00 0.00 WT1 H ATOM 22681 OH2 TIP3 7775 -4.983 2.442 4.409 1.00 0.00 WT1 O ATOM 22682 H1 TIP3 7775 -6.291 3.766 7.488 1.00 0.00 WT1 H ATOM 22683 H2 TIP3 7775 -6.908 1.979 6.263 1.00 0.00 WT1 H ATOM 22684 OH2 TIP3 7776 2.427 2.939 2.665 1.00 0.00 WT1 O ATOM 22685 H1 TIP3 7776 -0.185 -17.612 -12.337 1.00 0.00 WT1 H ATOM 22686 H2 TIP3 7776 -5.830 2.351 18.567 1.00 0.00 WT1 H ATOM 22687 OH2 TIP3 7777 1.659 2.947 -1.722 1.00 0.00 WT1 O ATOM 22688 H1 TIP3 7777 6.146 -20.050 0.820 1.00 0.00 WT1 H ATOM 22689 H2 TIP3 7777 -9.621 -0.436 -4.413 1.00 0.00 WT1 H ATOM 22690 OH2 TIP3 7778 0.134 0.767 2.758 1.00 0.00 WT1 O ATOM 22691 H1 TIP3 7778 -2.819 -1.028 -1.861 1.00 0.00 WT1 H ATOM 22692 H2 TIP3 7778 -24.117 -3.779 4.839 1.00 0.00 WT1 H ATOM 22693 OH2 TIP3 7779 3.532 2.780 4.211 1.00 0.00 WT1 O ATOM 22694 H1 TIP3 7779 -2.098 22.589 -8.099 1.00 0.00 WT1 H ATOM 22695 H2 TIP3 7779 -2.172 3.856 18.802 1.00 0.00 WT1 H ATOM 22696 OH2 TIP3 7780 -0.018 3.324 -0.417 1.00 0.00 WT1 O ATOM 22697 H1 TIP3 7780 1.390 7.052 -5.124 1.00 0.00 WT1 H ATOM 22698 H2 TIP3 7780 -30.828 -18.248 -26.548 1.00 0.00 WT1 H ATOM 22699 OH2 TIP3 7781 -2.257 0.314 -1.893 1.00 0.00 WT1 O ATOM 22700 H1 TIP3 7781 7.850 21.090 -14.128 1.00 0.00 WT1 H ATOM 22701 H2 TIP3 7781 6.802 23.040 20.955 1.00 0.00 WT1 H ATOM 22702 OH2 TIP3 7782 0.413 0.816 -3.049 1.00 0.00 WT1 O ATOM 22703 H1 TIP3 7782 19.269 -23.229 14.760 1.00 0.00 WT1 H ATOM 22704 H2 TIP3 7782 5.075 31.855 23.850 1.00 0.00 WT1 H ATOM 22705 OH2 TIP3 7783 -6.565 6.759 1.248 1.00 0.00 WT1 O ATOM 22706 H1 TIP3 7783 -5.287 -2.864 -6.781 1.00 0.00 WT1 H ATOM 22707 H2 TIP3 7783 -18.196 4.748 3.828 1.00 0.00 WT1 H ATOM 22708 OH2 TIP3 7784 -1.670 3.052 -0.481 1.00 0.00 WT1 O ATOM 22709 H1 TIP3 7784 0.305 -1.384 8.094 1.00 0.00 WT1 H ATOM 22710 H2 TIP3 7784 13.041 4.548 -2.316 1.00 0.00 WT1 H ATOM 22711 OH2 TIP3 7785 4.454 2.698 1.263 1.00 0.00 WT1 O ATOM 22712 H1 TIP3 7785 9.305 -6.567 12.907 1.00 0.00 WT1 H ATOM 22713 H2 TIP3 7785 -1.797 16.484 8.454 1.00 0.00 WT1 H ATOM 22714 OH2 TIP3 7787 -3.133 0.329 -4.832 1.00 0.00 WT1 O ATOM 22715 H1 TIP3 7787 -3.382 4.101 -13.084 1.00 0.00 WT1 H ATOM 22716 H2 TIP3 7787 -2.424 7.779 -19.292 1.00 0.00 WT1 H ATOM 22717 OH2 TIP3 7788 -5.610 -0.642 4.508 1.00 0.00 WT1 O ATOM 22718 H1 TIP3 7788 -9.016 0.342 -1.691 1.00 0.00 WT1 H ATOM 22719 H2 TIP3 7788 -7.524 4.491 -7.847 1.00 0.00 WT1 H ATOM 22720 OH2 TIP3 7789 -2.775 -0.315 2.412 1.00 0.00 WT1 O ATOM 22721 H1 TIP3 7789 -36.498 9.561 12.271 1.00 0.00 WT1 H ATOM 22722 H2 TIP3 7789 -16.303 15.661 -3.069 1.00 0.00 WT1 H ATOM 22723 OH2 TIP3 7790 -7.679 -2.164 1.157 1.00 0.00 WT1 O ATOM 22724 H1 TIP3 7790 -28.245 -4.354 -11.125 1.00 0.00 WT1 H ATOM 22725 H2 TIP3 7790 0.449 -20.005 4.029 1.00 0.00 WT1 H ATOM 22726 OH2 TIP3 7791 -3.743 -6.947 5.257 1.00 0.00 WT1 O ATOM 22727 H1 TIP3 7791 -2.684 -3.064 8.685 1.00 0.00 WT1 H ATOM 22728 H2 TIP3 7791 -2.445 -4.025 8.044 1.00 0.00 WT1 H ATOM 22729 OH2 TIP3 7792 1.708 0.437 -0.465 1.00 0.00 WT1 O ATOM 22730 H1 TIP3 7792 5.951 -0.024 -6.476 1.00 0.00 WT1 H ATOM 22731 H2 TIP3 7792 -2.907 4.739 -1.025 1.00 0.00 WT1 H ATOM 22732 OH2 TIP3 7793 3.812 -0.434 -2.731 1.00 0.00 WT1 O ATOM 22733 H1 TIP3 7793 -12.392 -28.318 5.312 1.00 0.00 WT1 H ATOM 22734 H2 TIP3 7793 9.693 15.018 -27.967 1.00 0.00 WT1 H ATOM 22735 OH2 TIP3 7794 2.947 6.820 3.433 1.00 0.00 WT1 O ATOM 22736 H1 TIP3 7794 21.077 -0.283 -6.506 1.00 0.00 WT1 H ATOM 22737 H2 TIP3 7794 -4.100 12.781 2.324 1.00 0.00 WT1 H ATOM 22738 OH2 TIP3 7796 1.358 -3.429 0.014 1.00 0.00 WT1 O ATOM 22739 H1 TIP3 7796 -1.603 -4.295 -11.770 1.00 0.00 WT1 H ATOM 22740 H2 TIP3 7796 5.488 5.365 2.081 1.00 0.00 WT1 H ATOM 22741 OH2 TIP3 7797 -0.904 1.936 7.353 1.00 0.00 WT1 O ATOM 22742 H1 TIP3 7797 3.918 -20.595 0.131 1.00 0.00 WT1 H ATOM 22743 H2 TIP3 7797 4.634 -36.643 -4.112 1.00 0.00 WT1 H ATOM 22744 OH2 TIP3 7798 -0.066 -2.205 1.848 1.00 0.00 WT1 O ATOM 22745 H1 TIP3 7798 12.011 6.541 -5.413 1.00 0.00 WT1 H ATOM 22746 H2 TIP3 7798 -6.463 12.004 1.759 1.00 0.00 WT1 H ATOM 22747 OH2 TIP3 7799 6.714 0.280 -0.547 1.00 0.00 WT1 O ATOM 22748 H1 TIP3 7799 2.208 -1.411 5.320 1.00 0.00 WT1 H ATOM 22749 H2 TIP3 7799 -6.738 -23.865 13.148 1.00 0.00 WT1 H ATOM 22750 OH2 TIP3 7800 -2.471 -0.666 0.059 1.00 0.00 WT1 O ATOM 22751 H1 TIP3 7800 -4.944 -0.034 -2.524 1.00 0.00 WT1 H ATOM 22752 H2 TIP3 7800 0.379 2.729 22.474 1.00 0.00 WT1 H ATOM 22753 OH2 TIP3 7801 2.038 5.946 -3.018 1.00 0.00 WT1 O ATOM 22754 H1 TIP3 7801 15.209 -2.858 -12.539 1.00 0.00 WT1 H ATOM 22755 H2 TIP3 7801 -20.928 30.891 7.028 1.00 0.00 WT1 H ATOM 22756 OH2 TIP3 7803 -0.774 3.799 -3.176 1.00 0.00 WT1 O ATOM 22757 H1 TIP3 7803 -8.703 0.401 -14.824 1.00 0.00 WT1 H ATOM 22758 H2 TIP3 7803 -9.142 -0.853 -26.071 1.00 0.00 WT1 H ATOM 22759 OH2 TIP3 7804 -0.352 -4.451 -6.114 1.00 0.00 WT1 O ATOM 22760 H1 TIP3 7804 3.491 -15.903 2.330 1.00 0.00 WT1 H ATOM 22761 H2 TIP3 7804 -9.816 13.376 -12.601 1.00 0.00 WT1 H ATOM 22762 OH2 TIP3 7805 4.924 -2.484 0.905 1.00 0.00 WT1 O ATOM 22763 H1 TIP3 7805 10.089 21.257 -0.583 1.00 0.00 WT1 H ATOM 22764 H2 TIP3 7805 3.322 -11.055 6.375 1.00 0.00 WT1 H ATOM 22765 OH2 TIP3 7807 2.078 -1.949 -4.141 1.00 0.00 WT1 O ATOM 22766 H1 TIP3 7807 0.730 -8.917 -6.657 1.00 0.00 WT1 H ATOM 22767 H2 TIP3 7807 2.324 5.733 -7.214 1.00 0.00 WT1 H ATOM 22768 OH2 TIP3 7808 -2.967 4.555 -2.164 1.00 0.00 WT1 O ATOM 22769 H1 TIP3 7808 8.340 10.908 5.380 1.00 0.00 WT1 H ATOM 22770 H2 TIP3 7808 -8.341 -7.313 9.761 1.00 0.00 WT1 H ATOM 22771 OH2 TIP3 7809 2.526 -3.455 -1.234 1.00 0.00 WT1 O ATOM 22772 H1 TIP3 7809 26.294 5.988 5.351 1.00 0.00 WT1 H ATOM 22773 H2 TIP3 7809 -5.228 -7.284 -21.585 1.00 0.00 WT1 H ATOM 22774 OH2 TIP3 7810 -7.872 6.624 -5.071 1.00 0.00 WT1 O ATOM 22775 H1 TIP3 7810 -9.059 14.678 -12.146 1.00 0.00 WT1 H ATOM 22776 H2 TIP3 7810 -8.322 13.260 0.773 1.00 0.00 WT1 H ATOM 22777 OH2 TIP3 7811 0.970 -0.714 -2.053 1.00 0.00 WT1 O ATOM 22778 H1 TIP3 7811 -3.006 7.865 1.428 1.00 0.00 WT1 H ATOM 22779 H2 TIP3 7811 0.083 -4.043 -3.790 1.00 0.00 WT1 H ATOM 22780 OH2 TIP3 7812 7.114 2.783 -1.160 1.00 0.00 WT1 O ATOM 22781 H1 TIP3 7812 -6.065 3.545 -13.174 1.00 0.00 WT1 H ATOM 22782 H2 TIP3 7812 -2.144 7.365 10.310 1.00 0.00 WT1 H ATOM 22783 OH2 TIP3 7813 8.184 -3.104 3.482 1.00 0.00 WT1 O ATOM 22784 H1 TIP3 7813 4.026 -4.404 8.262 1.00 0.00 WT1 H ATOM 22785 H2 TIP3 7813 5.330 -0.739 -3.748 1.00 0.00 WT1 H ATOM 22786 OH2 TIP3 7814 2.328 -1.423 -0.577 1.00 0.00 WT1 O ATOM 22787 H1 TIP3 7814 -4.378 5.727 16.975 1.00 0.00 WT1 H ATOM 22788 H2 TIP3 7814 -14.028 -2.212 5.959 1.00 0.00 WT1 H ATOM 22789 OH2 TIP3 7815 4.195 2.025 3.272 1.00 0.00 WT1 O ATOM 22790 H1 TIP3 7815 -6.430 -6.167 16.121 1.00 0.00 WT1 H ATOM 22791 H2 TIP3 7815 4.688 -17.049 -6.135 1.00 0.00 WT1 H ATOM 22792 OH2 TIP3 7816 -0.282 -3.888 7.390 1.00 0.00 WT1 O ATOM 22793 H1 TIP3 7816 18.709 -12.304 -0.979 1.00 0.00 WT1 H ATOM 22794 H2 TIP3 7816 3.410 -18.057 10.807 1.00 0.00 WT1 H ATOM 22795 OH2 TIP3 7817 -2.491 -2.512 -0.946 1.00 0.00 WT1 O ATOM 22796 H1 TIP3 7817 9.038 -5.572 5.645 1.00 0.00 WT1 H ATOM 22797 H2 TIP3 7817 18.238 0.918 -13.424 1.00 0.00 WT1 H ATOM 22798 OH2 TIP3 7818 -3.127 3.438 2.409 1.00 0.00 WT1 O ATOM 22799 H1 TIP3 7818 9.421 7.126 -1.408 1.00 0.00 WT1 H ATOM 22800 H2 TIP3 7818 11.941 -1.212 30.157 1.00 0.00 WT1 H ATOM 22801 OH2 TIP3 7819 1.162 2.474 1.840 1.00 0.00 WT1 O ATOM 22802 H1 TIP3 7819 20.073 6.306 5.345 1.00 0.00 WT1 H ATOM 22803 H2 TIP3 7819 -1.457 -2.782 4.970 1.00 0.00 WT1 H ATOM 22804 OH2 TIP3 7820 3.630 -1.869 -1.438 1.00 0.00 WT1 O ATOM 22805 H1 TIP3 7820 33.547 -13.034 -32.052 1.00 0.00 WT1 H ATOM 22806 H2 TIP3 7820 -21.512 12.755 9.291 1.00 0.00 WT1 H ATOM 22807 OH2 TIP3 7821 -2.162 0.373 -0.470 1.00 0.00 WT1 O ATOM 22808 H1 TIP3 7821 -27.917 -37.784 5.405 1.00 0.00 WT1 H ATOM 22809 H2 TIP3 7821 31.823 14.657 -6.356 1.00 0.00 WT1 H ATOM 22810 OH2 TIP3 7822 -1.273 7.157 -10.215 1.00 0.00 WT1 O ATOM 22811 H1 TIP3 7822 -19.108 5.000 25.958 1.00 0.00 WT1 H ATOM 22812 H2 TIP3 7822 8.845 2.624 -9.086 1.00 0.00 WT1 H ATOM 22813 OH2 TIP3 7823 1.195 4.571 -7.238 1.00 0.00 WT1 O ATOM 22814 H1 TIP3 7823 -1.266 6.138 -14.839 1.00 0.00 WT1 H ATOM 22815 H2 TIP3 7823 -5.225 17.758 -27.129 1.00 0.00 WT1 H ATOM 22816 OH2 TIP3 7824 0.800 -0.145 2.156 1.00 0.00 WT1 O ATOM 22817 H1 TIP3 7824 2.952 8.644 29.971 1.00 0.00 WT1 H ATOM 22818 H2 TIP3 7824 -9.080 -14.618 -2.557 1.00 0.00 WT1 H ATOM 22819 OH2 TIP3 7825 -0.966 -0.684 2.554 1.00 0.00 WT1 O ATOM 22820 H1 TIP3 7825 0.848 0.018 5.511 1.00 0.00 WT1 H ATOM 22821 H2 TIP3 7825 8.932 12.758 28.552 1.00 0.00 WT1 H ATOM 22822 OH2 TIP3 7826 3.098 7.215 6.464 1.00 0.00 WT1 O ATOM 22823 H1 TIP3 7826 8.368 -1.665 -17.742 1.00 0.00 WT1 H ATOM 22824 H2 TIP3 7826 -22.229 0.814 -19.585 1.00 0.00 WT1 H ATOM 22825 OH2 TIP3 7827 5.012 1.976 2.613 1.00 0.00 WT1 O ATOM 22826 H1 TIP3 7827 -9.830 -0.230 1.370 1.00 0.00 WT1 H ATOM 22827 H2 TIP3 7827 29.567 5.227 17.731 1.00 0.00 WT1 H ATOM 22828 OH2 TIP3 7828 1.731 -1.855 -1.718 1.00 0.00 WT1 O ATOM 22829 H1 TIP3 7828 9.477 -5.407 12.299 1.00 0.00 WT1 H ATOM 22830 H2 TIP3 7828 -7.104 -8.355 -3.967 1.00 0.00 WT1 H ATOM 22831 OH2 TIP3 7829 3.316 1.793 3.876 1.00 0.00 WT1 O ATOM 22832 H1 TIP3 7829 10.976 -12.388 -2.657 1.00 0.00 WT1 H ATOM 22833 H2 TIP3 7829 29.097 1.215 -3.685 1.00 0.00 WT1 H ATOM 22834 OH2 TIP3 7830 -2.327 2.312 -3.638 1.00 0.00 WT1 O ATOM 22835 H1 TIP3 7830 -3.465 8.288 3.151 1.00 0.00 WT1 H ATOM 22836 H2 TIP3 7830 -1.058 3.627 -1.686 1.00 0.00 WT1 H ATOM 22837 OH2 TIP3 7831 -3.148 -1.372 -0.112 1.00 0.00 WT1 O ATOM 22838 H1 TIP3 7831 -5.507 -5.616 6.260 1.00 0.00 WT1 H ATOM 22839 H2 TIP3 7831 7.267 -7.411 5.525 1.00 0.00 WT1 H ATOM 22840 OH2 TIP3 7832 -3.031 2.776 1.540 1.00 0.00 WT1 O ATOM 22841 H1 TIP3 7832 -5.892 -1.383 11.893 1.00 0.00 WT1 H ATOM 22842 H2 TIP3 7832 6.540 0.293 24.021 1.00 0.00 WT1 H ATOM 22843 OH2 TIP3 7833 10.964 -2.578 -0.501 1.00 0.00 WT1 O ATOM 22844 H1 TIP3 7833 9.837 -3.269 0.401 1.00 0.00 WT1 H ATOM 22845 H2 TIP3 7833 19.456 0.924 -3.659 1.00 0.00 WT1 H ATOM 22846 OH2 TIP3 7834 -6.338 -2.004 10.220 1.00 0.00 WT1 O ATOM 22847 H1 TIP3 7834 5.830 13.531 13.926 1.00 0.00 WT1 H ATOM 22848 H2 TIP3 7834 -2.700 -1.162 -2.153 1.00 0.00 WT1 H ATOM 22849 OH2 TIP3 7835 -1.781 5.545 -0.709 1.00 0.00 WT1 O ATOM 22850 H1 TIP3 7835 7.549 15.860 3.601 1.00 0.00 WT1 H ATOM 22851 H2 TIP3 7835 -24.381 -1.443 -8.345 1.00 0.00 WT1 H ATOM 22852 OH2 TIP3 7836 3.804 1.304 -5.182 1.00 0.00 WT1 O ATOM 22853 H1 TIP3 7836 -10.950 -9.210 20.053 1.00 0.00 WT1 H ATOM 22854 H2 TIP3 7836 -1.192 -10.053 6.203 1.00 0.00 WT1 H ATOM 22855 OH2 TIP3 7837 2.921 -0.200 -2.474 1.00 0.00 WT1 O ATOM 22856 H1 TIP3 7837 -2.813 1.992 -5.930 1.00 0.00 WT1 H ATOM 22857 H2 TIP3 7837 6.119 5.159 -15.204 1.00 0.00 WT1 H ATOM 22858 OH2 TIP3 7838 2.968 -4.897 -1.989 1.00 0.00 WT1 O ATOM 22859 H1 TIP3 7838 6.643 -7.065 -5.375 1.00 0.00 WT1 H ATOM 22860 H2 TIP3 7838 9.714 3.166 -3.230 1.00 0.00 WT1 H ATOM 22861 OH2 TIP3 7839 -3.488 2.412 5.450 1.00 0.00 WT1 O ATOM 22862 H1 TIP3 7839 1.120 7.349 24.114 1.00 0.00 WT1 H ATOM 22863 H2 TIP3 7839 9.005 17.024 49.349 1.00 0.00 WT1 H ATOM 22864 OH2 TIP3 7840 -8.651 1.168 5.063 1.00 0.00 WT1 O ATOM 22865 H1 TIP3 7840 10.380 12.074 -2.061 1.00 0.00 WT1 H ATOM 22866 H2 TIP3 7840 -14.213 9.623 -16.573 1.00 0.00 WT1 H ATOM 22867 OH2 TIP3 7841 -4.365 -1.274 -0.529 1.00 0.00 WT1 O ATOM 22868 H1 TIP3 7841 5.525 -11.670 6.888 1.00 0.00 WT1 H ATOM 22869 H2 TIP3 7841 -11.807 4.756 -4.797 1.00 0.00 WT1 H ATOM 22870 OH2 TIP3 7842 -1.565 1.274 -2.768 1.00 0.00 WT1 O ATOM 22871 H1 TIP3 7842 -2.302 -9.804 4.976 1.00 0.00 WT1 H ATOM 22872 H2 TIP3 7842 -3.893 32.963 3.277 1.00 0.00 WT1 H ATOM 22873 OH2 TIP3 7843 -6.797 -3.878 -2.889 1.00 0.00 WT1 O ATOM 22874 H1 TIP3 7843 4.523 -7.769 17.121 1.00 0.00 WT1 H ATOM 22875 H2 TIP3 7843 23.398 -4.146 -10.341 1.00 0.00 WT1 H ATOM 22876 OH2 TIP3 7844 -1.672 -0.547 3.521 1.00 0.00 WT1 O ATOM 22877 H1 TIP3 7844 -15.456 -17.186 -7.921 1.00 0.00 WT1 H ATOM 22878 H2 TIP3 7844 -15.806 5.785 19.534 1.00 0.00 WT1 H ATOM 22879 OH2 TIP3 7845 -4.853 0.645 -4.945 1.00 0.00 WT1 O ATOM 22880 H1 TIP3 7845 -11.066 -5.818 -7.888 1.00 0.00 WT1 H ATOM 22881 H2 TIP3 7845 7.228 -12.744 -3.884 1.00 0.00 WT1 H ATOM 22882 OH2 TIP3 7846 0.088 3.571 -2.857 1.00 0.00 WT1 O ATOM 22883 H1 TIP3 7846 10.360 4.194 11.755 1.00 0.00 WT1 H ATOM 22884 H2 TIP3 7846 -9.289 -6.789 -3.152 1.00 0.00 WT1 H ATOM 22885 OH2 TIP3 7847 -5.126 2.018 -0.109 1.00 0.00 WT1 O ATOM 22886 H1 TIP3 7847 -11.161 19.667 6.470 1.00 0.00 WT1 H ATOM 22887 H2 TIP3 7847 -1.970 -2.736 -23.559 1.00 0.00 WT1 H ATOM 22888 OH2 TIP3 7849 5.873 0.966 3.008 1.00 0.00 WT1 O ATOM 22889 H1 TIP3 7849 -12.144 5.532 -6.445 1.00 0.00 WT1 H ATOM 22890 H2 TIP3 7849 -2.576 20.027 9.997 1.00 0.00 WT1 H ATOM 22891 OH2 TIP3 7850 -7.046 4.152 0.840 1.00 0.00 WT1 O ATOM 22892 H1 TIP3 7850 2.917 4.276 -12.329 1.00 0.00 WT1 H ATOM 22893 H2 TIP3 7850 -0.953 3.577 12.531 1.00 0.00 WT1 H ATOM 22894 OH2 TIP3 7851 6.520 -0.728 1.114 1.00 0.00 WT1 O ATOM 22895 H1 TIP3 7851 -12.190 -10.187 6.367 1.00 0.00 WT1 H ATOM 22896 H2 TIP3 7851 -2.102 -1.329 5.789 1.00 0.00 WT1 H ATOM 22897 OH2 TIP3 7852 2.758 0.960 4.605 1.00 0.00 WT1 O ATOM 22898 H1 TIP3 7852 20.080 -29.103 1.964 1.00 0.00 WT1 H ATOM 22899 H2 TIP3 7852 16.871 -0.234 0.343 1.00 0.00 WT1 H ATOM 22900 OH2 TIP3 7853 -4.715 5.145 -0.686 1.00 0.00 WT1 O ATOM 22901 H1 TIP3 7853 -8.653 1.698 -2.985 1.00 0.00 WT1 H ATOM 22902 H2 TIP3 7853 -5.073 -1.346 11.473 1.00 0.00 WT1 H ATOM 22903 OH2 TIP3 7854 -1.532 3.956 1.208 1.00 0.00 WT1 O ATOM 22904 H1 TIP3 7854 -16.598 11.847 21.200 1.00 0.00 WT1 H ATOM 22905 H2 TIP3 7854 -11.499 -2.449 2.525 1.00 0.00 WT1 H ATOM 22906 OH2 TIP3 7856 1.838 -6.792 7.053 1.00 0.00 WT1 O ATOM 22907 H1 TIP3 7856 -4.554 -26.074 2.640 1.00 0.00 WT1 H ATOM 22908 H2 TIP3 7856 5.615 6.473 10.653 1.00 0.00 WT1 H ATOM 22909 OH2 TIP3 7857 -6.266 2.417 0.298 1.00 0.00 WT1 O ATOM 22910 H1 TIP3 7857 -24.019 11.439 -7.028 1.00 0.00 WT1 H ATOM 22911 H2 TIP3 7857 -10.336 3.275 -13.073 1.00 0.00 WT1 H ATOM 22912 OH2 TIP3 7858 -0.200 -0.643 -7.757 1.00 0.00 WT1 O ATOM 22913 H1 TIP3 7858 -9.776 -4.546 -24.658 1.00 0.00 WT1 H ATOM 22914 H2 TIP3 7858 -2.692 -6.185 -20.775 1.00 0.00 WT1 H ATOM 22915 OH2 TIP3 7859 -4.266 -8.390 1.834 1.00 0.00 WT1 O ATOM 22916 H1 TIP3 7859 2.591 -11.829 0.435 1.00 0.00 WT1 H ATOM 22917 H2 TIP3 7859 -10.611 -5.882 1.024 1.00 0.00 WT1 H ATOM 22918 OH2 TIP3 7860 -4.950 -1.623 -2.927 1.00 0.00 WT1 O ATOM 22919 H1 TIP3 7860 -8.315 5.323 3.129 1.00 0.00 WT1 H ATOM 22920 H2 TIP3 7860 9.118 11.230 3.732 1.00 0.00 WT1 H ATOM 22921 OH2 TIP3 7861 -1.891 -1.060 0.831 1.00 0.00 WT1 O ATOM 22922 H1 TIP3 7861 2.974 -4.335 -5.293 1.00 0.00 WT1 H ATOM 22923 H2 TIP3 7861 -13.269 11.550 13.257 1.00 0.00 WT1 H ATOM 22924 OH2 TIP3 7862 -5.718 -5.554 1.647 1.00 0.00 WT1 O ATOM 22925 H1 TIP3 7862 -10.622 7.782 -5.250 1.00 0.00 WT1 H ATOM 22926 H2 TIP3 7862 -3.520 0.953 -4.724 1.00 0.00 WT1 H ATOM 22927 OH2 TIP3 7863 5.854 -0.184 1.808 1.00 0.00 WT1 O ATOM 22928 H1 TIP3 7863 11.764 18.819 6.880 1.00 0.00 WT1 H ATOM 22929 H2 TIP3 7863 0.767 3.600 -8.014 1.00 0.00 WT1 H ATOM 22930 OH2 TIP3 7864 2.242 10.219 5.419 1.00 0.00 WT1 O ATOM 22931 H1 TIP3 7864 -6.481 10.033 10.337 1.00 0.00 WT1 H ATOM 22932 H2 TIP3 7864 16.894 15.293 -7.823 1.00 0.00 WT1 H ATOM 22933 OH2 TIP3 7865 -1.498 0.402 -4.164 1.00 0.00 WT1 O ATOM 22934 H1 TIP3 7865 -2.066 -1.714 -14.025 1.00 0.00 WT1 H ATOM 22935 H2 TIP3 7865 -0.519 1.528 6.124 1.00 0.00 WT1 H ATOM 22936 OH2 TIP3 7866 -5.867 10.080 1.246 1.00 0.00 WT1 O ATOM 22937 H1 TIP3 7866 5.465 22.534 7.198 1.00 0.00 WT1 H ATOM 22938 H2 TIP3 7866 -16.282 6.298 -5.540 1.00 0.00 WT1 H ATOM 22939 OH2 TIP3 7867 -0.908 5.104 0.390 1.00 0.00 WT1 O ATOM 22940 H1 TIP3 7867 -19.902 -2.776 -1.013 1.00 0.00 WT1 H ATOM 22941 H2 TIP3 7867 11.885 -0.803 16.448 1.00 0.00 WT1 H ATOM 22942 OH2 TIP3 7868 -3.967 5.214 0.014 1.00 0.00 WT1 O ATOM 22943 H1 TIP3 7868 -5.802 14.123 -2.455 1.00 0.00 WT1 H ATOM 22944 H2 TIP3 7868 4.253 -0.577 -1.229 1.00 0.00 WT1 H ATOM 22945 OH2 TIP3 7869 6.246 1.827 0.598 1.00 0.00 WT1 O ATOM 22946 H1 TIP3 7869 1.912 -9.121 24.085 1.00 0.00 WT1 H ATOM 22947 H2 TIP3 7869 22.004 23.562 4.085 1.00 0.00 WT1 H ATOM 22948 OH2 TIP3 7870 0.938 -0.293 -2.816 1.00 0.00 WT1 O ATOM 22949 H1 TIP3 7870 0.930 4.473 17.394 1.00 0.00 WT1 H ATOM 22950 H2 TIP3 7870 -0.280 31.572 -15.524 1.00 0.00 WT1 H ATOM 22951 OH2 TIP3 7871 -6.058 -3.601 2.446 1.00 0.00 WT1 O ATOM 22952 H1 TIP3 7871 19.073 7.646 28.465 1.00 0.00 WT1 H ATOM 22953 H2 TIP3 7871 26.425 -24.077 -29.174 1.00 0.00 WT1 H ATOM 22954 OH2 TIP3 7872 4.658 4.254 -3.069 1.00 0.00 WT1 O ATOM 22955 H1 TIP3 7872 -2.287 -21.496 1.786 1.00 0.00 WT1 H ATOM 22956 H2 TIP3 7872 8.525 0.085 -2.374 1.00 0.00 WT1 H ATOM 22957 OH2 TIP3 7874 3.919 6.948 1.312 1.00 0.00 WT1 O ATOM 22958 H1 TIP3 7874 -0.794 -11.055 -2.607 1.00 0.00 WT1 H ATOM 22959 H2 TIP3 7874 -1.663 13.047 2.091 1.00 0.00 WT1 H ATOM 22960 OH2 TIP3 7875 -0.529 1.451 -9.013 1.00 0.00 WT1 O ATOM 22961 H1 TIP3 7875 -0.199 11.624 -27.264 1.00 0.00 WT1 H ATOM 22962 H2 TIP3 7875 17.401 -10.014 -19.523 1.00 0.00 WT1 H ATOM 22963 OH2 TIP3 7877 -1.014 2.298 2.988 1.00 0.00 WT1 O ATOM 22964 H1 TIP3 7877 4.202 -6.344 0.320 1.00 0.00 WT1 H ATOM 22965 H2 TIP3 7877 -5.216 12.584 4.237 1.00 0.00 WT1 H ATOM 22966 OH2 TIP3 7878 -4.405 -0.482 2.970 1.00 0.00 WT1 O ATOM 22967 H1 TIP3 7878 -12.020 -3.823 -0.595 1.00 0.00 WT1 H ATOM 22968 H2 TIP3 7878 -3.865 -1.856 7.341 1.00 0.00 WT1 H ATOM 22969 OH2 TIP3 7879 7.472 3.429 -5.663 1.00 0.00 WT1 O ATOM 22970 H1 TIP3 7879 9.753 18.361 -39.826 1.00 0.00 WT1 H ATOM 22971 H2 TIP3 7879 -0.560 -29.808 1.532 1.00 0.00 WT1 H ATOM 22972 OH2 TIP3 7880 3.432 2.190 -3.387 1.00 0.00 WT1 O ATOM 22973 H1 TIP3 7880 2.139 5.466 6.729 1.00 0.00 WT1 H ATOM 22974 H2 TIP3 7880 8.164 4.025 -5.955 1.00 0.00 WT1 H ATOM 22975 OH2 TIP3 7881 -2.682 -2.004 5.491 1.00 0.00 WT1 O ATOM 22976 H1 TIP3 7881 4.953 4.894 0.801 1.00 0.00 WT1 H ATOM 22977 H2 TIP3 7881 5.695 -4.863 9.258 1.00 0.00 WT1 H ATOM 22978 OH2 TIP3 7882 -1.166 -0.341 -3.081 1.00 0.00 WT1 O ATOM 22979 H1 TIP3 7882 4.256 12.597 -6.269 1.00 0.00 WT1 H ATOM 22980 H2 TIP3 7882 -6.845 -18.801 4.645 1.00 0.00 WT1 H ATOM 22981 OH2 TIP3 7883 -0.477 3.683 -2.774 1.00 0.00 WT1 O ATOM 22982 H1 TIP3 7883 -2.801 -18.990 -3.219 1.00 0.00 WT1 H ATOM 22983 H2 TIP3 7883 -0.956 7.834 -2.803 1.00 0.00 WT1 H ATOM 22984 OH2 TIP3 7884 2.555 -1.131 5.451 1.00 0.00 WT1 O ATOM 22985 H1 TIP3 7884 5.315 -9.956 2.794 1.00 0.00 WT1 H ATOM 22986 H2 TIP3 7884 3.968 6.189 8.814 1.00 0.00 WT1 H ATOM 22987 OH2 TIP3 7885 -3.801 4.741 1.260 1.00 0.00 WT1 O ATOM 22988 H1 TIP3 7885 -13.831 5.801 0.962 1.00 0.00 WT1 H ATOM 22989 H2 TIP3 7885 1.481 0.432 -5.180 1.00 0.00 WT1 H ATOM 22990 OH2 TIP3 7886 -0.473 1.983 0.131 1.00 0.00 WT1 O ATOM 22991 H1 TIP3 7886 -0.380 -12.204 -8.106 1.00 0.00 WT1 H ATOM 22992 H2 TIP3 7886 -0.510 -7.674 -10.928 1.00 0.00 WT1 H ATOM 22993 OH2 TIP3 7887 1.625 -2.128 5.891 1.00 0.00 WT1 O ATOM 22994 H1 TIP3 7887 -1.366 0.715 25.120 1.00 0.00 WT1 H ATOM 22995 H2 TIP3 7887 13.011 -18.705 31.475 1.00 0.00 WT1 H ATOM 22996 OH2 TIP3 7889 2.047 -0.221 -1.558 1.00 0.00 WT1 O ATOM 22997 H1 TIP3 7889 1.306 6.280 -13.693 1.00 0.00 WT1 H ATOM 22998 H2 TIP3 7889 11.044 2.838 2.257 1.00 0.00 WT1 H ATOM 22999 OH2 TIP3 7890 4.314 2.264 -6.827 1.00 0.00 WT1 O ATOM 23000 H1 TIP3 7890 -0.228 11.175 7.681 1.00 0.00 WT1 H ATOM 23001 H2 TIP3 7890 32.705 -9.562 1.620 1.00 0.00 WT1 H ATOM 23002 OH2 TIP3 7891 -6.888 2.664 -0.432 1.00 0.00 WT1 O ATOM 23003 H1 TIP3 7891 18.582 2.622 -5.530 1.00 0.00 WT1 H ATOM 23004 H2 TIP3 7891 2.186 6.661 18.569 1.00 0.00 WT1 H ATOM 23005 OH2 TIP3 7892 -0.774 0.123 -2.656 1.00 0.00 WT1 O ATOM 23006 H1 TIP3 7892 3.861 10.938 14.399 1.00 0.00 WT1 H ATOM 23007 H2 TIP3 7892 2.706 -20.671 -9.676 1.00 0.00 WT1 H ATOM 23008 OH2 TIP3 7893 -1.456 -3.406 -0.480 1.00 0.00 WT1 O ATOM 23009 H1 TIP3 7893 7.689 -6.619 -28.558 1.00 0.00 WT1 H ATOM 23010 H2 TIP3 7893 4.951 0.480 -12.685 1.00 0.00 WT1 H ATOM 23011 OH2 TIP3 7895 -2.443 -0.331 -5.665 1.00 0.00 WT1 O ATOM 23012 H1 TIP3 7895 2.829 -17.999 5.356 1.00 0.00 WT1 H ATOM 23013 H2 TIP3 7895 18.259 -16.389 18.333 1.00 0.00 WT1 H ATOM 23014 OH2 TIP3 7896 -4.113 2.014 -1.582 1.00 0.00 WT1 O ATOM 23015 H1 TIP3 7896 21.088 -20.097 -8.996 1.00 0.00 WT1 H ATOM 23016 H2 TIP3 7896 -17.811 6.370 36.657 1.00 0.00 WT1 H ATOM 23017 OH2 TIP3 7897 -0.133 0.468 -8.309 1.00 0.00 WT1 O ATOM 23018 H1 TIP3 7897 2.600 8.137 25.844 1.00 0.00 WT1 H ATOM 23019 H2 TIP3 7897 -4.130 -5.362 -30.870 1.00 0.00 WT1 H ATOM 23020 OH2 TIP3 7899 -6.265 1.497 -0.460 1.00 0.00 WT1 O ATOM 23021 H1 TIP3 7899 4.687 30.998 -23.068 1.00 0.00 WT1 H ATOM 23022 H2 TIP3 7899 -12.543 -13.652 -9.205 1.00 0.00 WT1 H ATOM 23023 OH2 TIP3 7900 -0.954 -1.298 3.778 1.00 0.00 WT1 O ATOM 23024 H1 TIP3 7900 -5.217 -5.881 16.851 1.00 0.00 WT1 H ATOM 23025 H2 TIP3 7900 -0.820 17.191 -0.919 1.00 0.00 WT1 H ATOM 23026 OH2 TIP3 7901 2.251 4.674 -2.399 1.00 0.00 WT1 O ATOM 23027 H1 TIP3 7901 -12.716 9.893 -2.371 1.00 0.00 WT1 H ATOM 23028 H2 TIP3 7901 -2.391 7.245 -5.751 1.00 0.00 WT1 H ATOM 23029 OH2 TIP3 7902 -7.506 2.907 -6.794 1.00 0.00 WT1 O ATOM 23030 H1 TIP3 7902 -12.356 4.081 -1.494 1.00 0.00 WT1 H ATOM 23031 H2 TIP3 7902 -5.325 2.771 -8.518 1.00 0.00 WT1 H ATOM 23032 OH2 TIP3 7904 -3.954 0.866 -1.011 1.00 0.00 WT1 O ATOM 23033 H1 TIP3 7904 16.362 -6.394 -10.972 1.00 0.00 WT1 H ATOM 23034 H2 TIP3 7904 5.260 16.232 20.012 1.00 0.00 WT1 H ATOM 23035 OH2 TIP3 7905 -1.798 -5.704 -0.366 1.00 0.00 WT1 O ATOM 23036 H1 TIP3 7905 6.250 31.354 -13.250 1.00 0.00 WT1 H ATOM 23037 H2 TIP3 7905 -15.567 -32.451 11.421 1.00 0.00 WT1 H ATOM 23038 OH2 TIP3 7906 5.791 3.343 -2.021 1.00 0.00 WT1 O ATOM 23039 H1 TIP3 7906 -2.362 1.522 -21.350 1.00 0.00 WT1 H ATOM 23040 H2 TIP3 7906 -5.889 1.618 -1.512 1.00 0.00 WT1 H ATOM 23041 OH2 TIP3 7907 1.798 -4.152 -4.414 1.00 0.00 WT1 O ATOM 23042 H1 TIP3 7907 6.704 3.264 12.525 1.00 0.00 WT1 H ATOM 23043 H2 TIP3 7907 9.110 5.130 9.424 1.00 0.00 WT1 H ATOM 23044 OH2 TIP3 7908 -0.597 1.209 1.443 1.00 0.00 WT1 O ATOM 23045 H1 TIP3 7908 -2.734 -10.291 -6.076 1.00 0.00 WT1 H ATOM 23046 H2 TIP3 7908 17.094 6.441 -2.799 1.00 0.00 WT1 H ATOM 23047 OH2 TIP3 7909 4.772 -0.775 2.772 1.00 0.00 WT1 O ATOM 23048 H1 TIP3 7909 7.671 -17.663 -0.785 1.00 0.00 WT1 H ATOM 23049 H2 TIP3 7909 11.677 7.204 -17.070 1.00 0.00 WT1 H ATOM 23050 OH2 TIP3 7910 -4.548 1.094 -3.724 1.00 0.00 WT1 O ATOM 23051 H1 TIP3 7910 -2.257 15.346 11.205 1.00 0.00 WT1 H ATOM 23052 H2 TIP3 7910 -23.520 -10.148 -5.543 1.00 0.00 WT1 H ATOM 23053 OH2 TIP3 7911 1.971 8.895 3.351 1.00 0.00 WT1 O ATOM 23054 H1 TIP3 7911 -22.628 15.942 4.481 1.00 0.00 WT1 H ATOM 23055 H2 TIP3 7911 15.297 22.719 15.103 1.00 0.00 WT1 H ATOM 23056 OH2 TIP3 7912 0.894 -4.306 5.107 1.00 0.00 WT1 O ATOM 23057 H1 TIP3 7912 -10.671 -2.465 1.568 1.00 0.00 WT1 H ATOM 23058 H2 TIP3 7912 1.542 -1.702 4.210 1.00 0.00 WT1 H ATOM 23059 OH2 TIP3 7913 4.365 3.378 4.367 1.00 0.00 WT1 O ATOM 23060 H1 TIP3 7913 -8.926 -12.749 15.097 1.00 0.00 WT1 H ATOM 23061 H2 TIP3 7913 5.834 -13.615 -11.396 1.00 0.00 WT1 H ATOM 23062 OH2 TIP3 7914 -1.439 -4.589 1.120 1.00 0.00 WT1 O ATOM 23063 H1 TIP3 7914 -3.644 -11.652 1.185 1.00 0.00 WT1 H ATOM 23064 H2 TIP3 7914 9.366 1.811 9.059 1.00 0.00 WT1 H ATOM 23065 OH2 TIP3 7915 -2.468 1.211 -6.438 1.00 0.00 WT1 O ATOM 23066 H1 TIP3 7915 -2.289 -1.052 12.686 1.00 0.00 WT1 H ATOM 23067 H2 TIP3 7915 1.854 -10.620 14.200 1.00 0.00 WT1 H ATOM 23068 OH2 TIP3 7916 0.311 -0.680 -5.410 1.00 0.00 WT1 O ATOM 23069 H1 TIP3 7916 10.672 -5.060 -2.227 1.00 0.00 WT1 H ATOM 23070 H2 TIP3 7916 1.944 9.915 -8.441 1.00 0.00 WT1 H ATOM 23071 OH2 TIP3 7917 -0.002 -0.491 -0.959 1.00 0.00 WT1 O ATOM 23072 H1 TIP3 7917 1.763 3.824 -1.707 1.00 0.00 WT1 H ATOM 23073 H2 TIP3 7917 0.198 -28.066 17.552 1.00 0.00 WT1 H ATOM 23074 OH2 TIP3 7918 -9.862 0.188 2.436 1.00 0.00 WT1 O ATOM 23075 H1 TIP3 7918 -6.387 -1.898 -0.295 1.00 0.00 WT1 H ATOM 23076 H2 TIP3 7918 -4.243 -11.942 -0.776 1.00 0.00 WT1 H ATOM 23077 OH2 TIP3 7919 5.693 0.861 0.974 1.00 0.00 WT1 O ATOM 23078 H1 TIP3 7919 0.539 -7.752 -0.332 1.00 0.00 WT1 H ATOM 23079 H2 TIP3 7919 -0.106 5.543 -4.040 1.00 0.00 WT1 H ATOM 23080 OH2 TIP3 7920 -1.082 2.854 2.516 1.00 0.00 WT1 O ATOM 23081 H1 TIP3 7920 -18.485 -2.114 -23.395 1.00 0.00 WT1 H ATOM 23082 H2 TIP3 7920 12.116 14.151 16.273 1.00 0.00 WT1 H ATOM 23083 OH2 TIP3 7921 3.284 -0.931 -0.879 1.00 0.00 WT1 O ATOM 23084 H1 TIP3 7921 -12.497 12.628 -1.023 1.00 0.00 WT1 H ATOM 23085 H2 TIP3 7921 -2.872 4.040 1.839 1.00 0.00 WT1 H ATOM 23086 OH2 TIP3 7922 0.708 2.390 -0.314 1.00 0.00 WT1 O ATOM 23087 H1 TIP3 7922 17.767 -9.806 2.527 1.00 0.00 WT1 H ATOM 23088 H2 TIP3 7922 -10.517 6.642 -1.118 1.00 0.00 WT1 H ATOM 23089 OH2 TIP3 7923 -8.034 0.874 -6.053 1.00 0.00 WT1 O ATOM 23090 H1 TIP3 7923 -9.016 -8.746 -7.530 1.00 0.00 WT1 H ATOM 23091 H2 TIP3 7923 0.500 1.374 -0.977 1.00 0.00 WT1 H ATOM 23092 OH2 TIP3 7924 3.303 -1.751 5.891 1.00 0.00 WT1 O ATOM 23093 H1 TIP3 7924 -19.270 3.123 -19.563 1.00 0.00 WT1 H ATOM 23094 H2 TIP3 7924 18.054 -30.240 0.959 1.00 0.00 WT1 H ATOM 23095 OH2 TIP3 7925 0.654 -1.835 -7.849 1.00 0.00 WT1 O ATOM 23096 H1 TIP3 7925 -36.703 13.328 -8.351 1.00 0.00 WT1 H ATOM 23097 H2 TIP3 7925 -0.013 -2.750 -4.305 1.00 0.00 WT1 H ATOM 23098 OH2 TIP3 7926 3.499 -3.386 0.789 1.00 0.00 WT1 O ATOM 23099 H1 TIP3 7926 -17.309 3.167 10.943 1.00 0.00 WT1 H ATOM 23100 H2 TIP3 7926 -0.725 4.854 -15.814 1.00 0.00 WT1 H ATOM 23101 OH2 TIP3 7927 -0.482 4.327 -1.405 1.00 0.00 WT1 O ATOM 23102 H1 TIP3 7927 10.657 -5.307 35.015 1.00 0.00 WT1 H ATOM 23103 H2 TIP3 7927 -7.897 15.425 -29.940 1.00 0.00 WT1 H ATOM 23104 OH2 TIP3 7928 2.770 -2.001 -4.771 1.00 0.00 WT1 O ATOM 23105 H1 TIP3 7928 3.904 -12.285 -19.763 1.00 0.00 WT1 H ATOM 23106 H2 TIP3 7928 7.928 2.424 14.039 1.00 0.00 WT1 H ATOM 23107 OH2 TIP3 7929 -1.421 -1.549 0.530 1.00 0.00 WT1 O ATOM 23108 H1 TIP3 7929 -3.766 -1.152 0.469 1.00 0.00 WT1 H ATOM 23109 H2 TIP3 7929 -16.536 0.558 12.917 1.00 0.00 WT1 H ATOM 23110 OH2 TIP3 7930 2.848 1.795 2.366 1.00 0.00 WT1 O ATOM 23111 H1 TIP3 7930 -7.850 19.488 3.254 1.00 0.00 WT1 H ATOM 23112 H2 TIP3 7930 -10.528 9.340 20.394 1.00 0.00 WT1 H ATOM 23113 OH2 TIP3 7931 4.956 2.058 3.544 1.00 0.00 WT1 O ATOM 23114 H1 TIP3 7931 -4.140 -10.051 3.816 1.00 0.00 WT1 H ATOM 23115 H2 TIP3 7931 1.473 1.109 -0.596 1.00 0.00 WT1 H ATOM 23116 OH2 TIP3 7932 0.667 0.193 1.401 1.00 0.00 WT1 O ATOM 23117 H1 TIP3 7932 12.468 -15.362 6.704 1.00 0.00 WT1 H ATOM 23118 H2 TIP3 7932 -13.209 -7.738 -10.362 1.00 0.00 WT1 H ATOM 23119 OH2 TIP3 7933 -3.611 -2.214 2.054 1.00 0.00 WT1 O ATOM 23120 H1 TIP3 7933 8.541 -9.224 -15.609 1.00 0.00 WT1 H ATOM 23121 H2 TIP3 7933 2.691 -3.637 -9.470 1.00 0.00 WT1 H ATOM 23122 OH2 TIP3 7934 0.500 -0.921 4.229 1.00 0.00 WT1 O ATOM 23123 H1 TIP3 7934 2.814 13.773 12.189 1.00 0.00 WT1 H ATOM 23124 H2 TIP3 7934 -20.250 -15.742 7.281 1.00 0.00 WT1 H ATOM 23125 OH2 TIP3 7935 -2.659 -2.177 3.715 1.00 0.00 WT1 O ATOM 23126 H1 TIP3 7935 4.156 -3.793 0.808 1.00 0.00 WT1 H ATOM 23127 H2 TIP3 7935 16.247 9.329 0.439 1.00 0.00 WT1 H ATOM 23128 OH2 TIP3 7936 -2.459 1.997 4.768 1.00 0.00 WT1 O ATOM 23129 H1 TIP3 7936 -1.416 -5.722 -16.709 1.00 0.00 WT1 H ATOM 23130 H2 TIP3 7936 -1.676 3.249 -4.716 1.00 0.00 WT1 H ATOM 23131 OH2 TIP3 7937 -4.690 4.685 -1.483 1.00 0.00 WT1 O ATOM 23132 H1 TIP3 7937 6.370 6.459 -2.890 1.00 0.00 WT1 H ATOM 23133 H2 TIP3 7937 -0.415 -5.211 -4.490 1.00 0.00 WT1 H ATOM 23134 OH2 TIP3 7938 -7.420 -0.483 2.802 1.00 0.00 WT1 O ATOM 23135 H1 TIP3 7938 -2.148 -12.501 -41.068 1.00 0.00 WT1 H ATOM 23136 H2 TIP3 7938 -7.188 3.525 14.903 1.00 0.00 WT1 H ATOM 23137 OH2 TIP3 7939 -5.176 -3.111 -1.673 1.00 0.00 WT1 O ATOM 23138 H1 TIP3 7939 -6.850 -14.140 2.762 1.00 0.00 WT1 H ATOM 23139 H2 TIP3 7939 13.730 4.017 -10.554 1.00 0.00 WT1 H ATOM 23140 OH2 TIP3 7940 -1.166 -3.149 4.149 1.00 0.00 WT1 O ATOM 23141 H1 TIP3 7940 -6.502 -9.341 6.626 1.00 0.00 WT1 H ATOM 23142 H2 TIP3 7940 38.014 -25.017 23.454 1.00 0.00 WT1 H ATOM 23143 OH2 TIP3 7941 -3.196 1.865 -5.764 1.00 0.00 WT1 O ATOM 23144 H1 TIP3 7941 -8.350 -0.739 -18.722 1.00 0.00 WT1 H ATOM 23145 H2 TIP3 7941 2.920 12.379 4.890 1.00 0.00 WT1 H ATOM 23146 OH2 TIP3 7942 -1.522 2.961 0.946 1.00 0.00 WT1 O ATOM 23147 H1 TIP3 7942 -4.705 6.250 3.425 1.00 0.00 WT1 H ATOM 23148 H2 TIP3 7942 1.849 -8.742 -17.420 1.00 0.00 WT1 H ATOM 23149 OH2 TIP3 7943 -4.662 4.728 2.549 1.00 0.00 WT1 O ATOM 23150 H1 TIP3 7943 0.031 7.452 27.484 1.00 0.00 WT1 H ATOM 23151 H2 TIP3 7943 -3.098 22.708 -7.484 1.00 0.00 WT1 H ATOM 23152 OH2 TIP3 7944 6.403 5.018 5.576 1.00 0.00 WT1 O ATOM 23153 H1 TIP3 7944 -16.214 0.479 11.462 1.00 0.00 WT1 H ATOM 23154 H2 TIP3 7944 5.752 -9.407 -15.681 1.00 0.00 WT1 H ATOM 23155 OH2 TIP3 7945 0.272 7.158 4.713 1.00 0.00 WT1 O ATOM 23156 H1 TIP3 7945 1.049 31.157 -6.204 1.00 0.00 WT1 H ATOM 23157 H2 TIP3 7945 -6.401 -24.247 6.418 1.00 0.00 WT1 H ATOM 23158 OH2 TIP3 7946 -6.956 2.232 3.805 1.00 0.00 WT1 O ATOM 23159 H1 TIP3 7946 -7.474 -0.230 -0.021 1.00 0.00 WT1 H ATOM 23160 H2 TIP3 7946 1.146 3.214 3.887 1.00 0.00 WT1 H ATOM 23161 OH2 TIP3 7947 2.839 3.581 -0.261 1.00 0.00 WT1 O ATOM 23162 H1 TIP3 7947 3.694 16.553 -3.130 1.00 0.00 WT1 H ATOM 23163 H2 TIP3 7947 15.651 0.399 3.293 1.00 0.00 WT1 H ATOM 23164 OH2 TIP3 7948 -0.031 -2.526 -0.354 1.00 0.00 WT1 O ATOM 23165 H1 TIP3 7948 -4.078 -2.283 -1.495 1.00 0.00 WT1 H ATOM 23166 H2 TIP3 7948 1.393 -6.272 -7.283 1.00 0.00 WT1 H ATOM 23167 OH2 TIP3 7949 -3.792 -2.102 0.952 1.00 0.00 WT1 O ATOM 23168 H1 TIP3 7949 -13.413 8.387 21.727 1.00 0.00 WT1 H ATOM 23169 H2 TIP3 7949 6.744 9.684 -14.635 1.00 0.00 WT1 H ATOM 23170 OH2 TIP3 7950 -1.211 3.975 -6.560 1.00 0.00 WT1 O ATOM 23171 H1 TIP3 7950 20.740 -9.964 0.133 1.00 0.00 WT1 H ATOM 23172 H2 TIP3 7950 -6.254 -36.167 11.367 1.00 0.00 WT1 H ATOM 23173 OH2 TIP3 7951 -2.432 -2.580 0.224 1.00 0.00 WT1 O ATOM 23174 H1 TIP3 7951 -22.929 -16.118 -2.345 1.00 0.00 WT1 H ATOM 23175 H2 TIP3 7951 29.157 -6.685 -1.662 1.00 0.00 WT1 H ATOM 23176 OH2 TIP3 7952 -6.172 -1.407 0.579 1.00 0.00 WT1 O ATOM 23177 H1 TIP3 7952 5.423 5.772 -7.181 1.00 0.00 WT1 H ATOM 23178 H2 TIP3 7952 4.737 3.822 -6.888 1.00 0.00 WT1 H ATOM 23179 OH2 TIP3 7953 -5.329 5.182 6.693 1.00 0.00 WT1 O ATOM 23180 H1 TIP3 7953 -8.891 -3.382 12.534 1.00 0.00 WT1 H ATOM 23181 H2 TIP3 7953 2.537 7.240 10.658 1.00 0.00 WT1 H ATOM 23182 OH2 TIP3 7954 4.528 -0.612 -2.350 1.00 0.00 WT1 O ATOM 23183 H1 TIP3 7954 12.604 -16.310 6.216 1.00 0.00 WT1 H ATOM 23184 H2 TIP3 7954 -1.224 6.617 -26.004 1.00 0.00 WT1 H ATOM 23185 OH2 TIP3 7955 -2.469 3.131 -2.643 1.00 0.00 WT1 O ATOM 23186 H1 TIP3 7955 -0.531 28.714 6.484 1.00 0.00 WT1 H ATOM 23187 H2 TIP3 7955 -1.830 -2.187 -5.829 1.00 0.00 WT1 H ATOM 23188 OH2 TIP3 7956 1.915 3.425 -3.000 1.00 0.00 WT1 O ATOM 23189 H1 TIP3 7956 1.117 1.088 -24.157 1.00 0.00 WT1 H ATOM 23190 H2 TIP3 7956 7.800 -16.507 3.244 1.00 0.00 WT1 H ATOM 23191 OH2 TIP3 7957 8.285 2.817 5.502 1.00 0.00 WT1 O ATOM 23192 H1 TIP3 7957 9.318 -5.543 10.153 1.00 0.00 WT1 H ATOM 23193 H2 TIP3 7957 5.420 26.485 -7.274 1.00 0.00 WT1 H ATOM 23194 OH2 TIP3 7958 -0.522 -7.845 7.762 1.00 0.00 WT1 O ATOM 23195 H1 TIP3 7958 3.077 -10.721 -4.763 1.00 0.00 WT1 H ATOM 23196 H2 TIP3 7958 3.606 4.644 11.707 1.00 0.00 WT1 H ATOM 23197 OH2 TIP3 7959 -0.287 1.412 -1.153 1.00 0.00 WT1 O ATOM 23198 H1 TIP3 7959 -13.854 -2.409 3.624 1.00 0.00 WT1 H ATOM 23199 H2 TIP3 7959 -6.183 -0.778 0.333 1.00 0.00 WT1 H ATOM 23200 OH2 TIP3 7960 0.811 1.868 -1.971 1.00 0.00 WT1 O ATOM 23201 H1 TIP3 7960 9.697 0.883 30.995 1.00 0.00 WT1 H ATOM 23202 H2 TIP3 7960 9.515 26.370 -17.068 1.00 0.00 WT1 H ATOM 23203 OH2 TIP3 7962 1.853 -1.081 -3.548 1.00 0.00 WT1 O ATOM 23204 H1 TIP3 7962 10.748 1.408 -3.678 1.00 0.00 WT1 H ATOM 23205 H2 TIP3 7962 -3.383 -7.552 -3.216 1.00 0.00 WT1 H ATOM 23206 OH2 TIP3 7963 3.108 7.983 -1.869 1.00 0.00 WT1 O ATOM 23207 H1 TIP3 7963 -2.685 3.126 -8.067 1.00 0.00 WT1 H ATOM 23208 H2 TIP3 7963 9.811 -1.453 0.278 1.00 0.00 WT1 H ATOM 23209 OH2 TIP3 7964 -4.494 3.092 -2.377 1.00 0.00 WT1 O ATOM 23210 H1 TIP3 7964 12.621 4.969 11.153 1.00 0.00 WT1 H ATOM 23211 H2 TIP3 7964 4.385 -2.686 -0.347 1.00 0.00 WT1 H ATOM 23212 OH2 TIP3 7965 7.237 -1.007 -5.709 1.00 0.00 WT1 O ATOM 23213 H1 TIP3 7965 -9.086 6.332 27.743 1.00 0.00 WT1 H ATOM 23214 H2 TIP3 7965 -4.158 3.245 20.299 1.00 0.00 WT1 H ATOM 23215 OH2 TIP3 7966 2.080 4.991 -5.519 1.00 0.00 WT1 O ATOM 23216 H1 TIP3 7966 -10.190 -5.160 13.755 1.00 0.00 WT1 H ATOM 23217 H2 TIP3 7966 13.105 8.939 -23.623 1.00 0.00 WT1 H ATOM 23218 OH2 TIP3 7967 -4.758 3.432 4.402 1.00 0.00 WT1 O ATOM 23219 H1 TIP3 7967 4.343 -9.316 -17.057 1.00 0.00 WT1 H ATOM 23220 H2 TIP3 7967 7.857 7.130 11.998 1.00 0.00 WT1 H ATOM 23221 OH2 TIP3 7968 -1.357 -4.152 6.372 1.00 0.00 WT1 O ATOM 23222 H1 TIP3 7968 -4.407 -1.418 2.067 1.00 0.00 WT1 H ATOM 23223 H2 TIP3 7968 13.180 -13.884 24.599 1.00 0.00 WT1 H ATOM 23224 OH2 TIP3 7969 -4.811 -2.213 -1.656 1.00 0.00 WT1 O ATOM 23225 H1 TIP3 7969 32.878 -10.581 16.543 1.00 0.00 WT1 H ATOM 23226 H2 TIP3 7969 -8.922 9.706 -23.649 1.00 0.00 WT1 H ATOM 23227 OH2 TIP3 7970 3.505 -2.406 -4.917 1.00 0.00 WT1 O ATOM 23228 H1 TIP3 7970 21.959 2.425 -5.270 1.00 0.00 WT1 H ATOM 23229 H2 TIP3 7970 10.725 0.324 -7.660 1.00 0.00 WT1 H ATOM 23230 OH2 TIP3 7971 -6.384 -4.059 2.172 1.00 0.00 WT1 O ATOM 23231 H1 TIP3 7971 -8.036 -0.698 2.947 1.00 0.00 WT1 H ATOM 23232 H2 TIP3 7971 -4.096 -16.801 -8.433 1.00 0.00 WT1 H ATOM 23233 OH2 TIP3 7972 -3.363 -2.200 0.711 1.00 0.00 WT1 O ATOM 23234 H1 TIP3 7972 -3.617 17.630 -1.397 1.00 0.00 WT1 H ATOM 23235 H2 TIP3 7972 -10.389 -8.986 -16.294 1.00 0.00 WT1 H ATOM 23236 OH2 TIP3 7973 0.973 -0.090 -8.523 1.00 0.00 WT1 O ATOM 23237 H1 TIP3 7973 1.367 -9.103 -0.968 1.00 0.00 WT1 H ATOM 23238 H2 TIP3 7973 -4.573 12.952 -20.706 1.00 0.00 WT1 H ATOM 23239 OH2 TIP3 7974 -1.688 0.160 -0.938 1.00 0.00 WT1 O ATOM 23240 H1 TIP3 7974 -5.725 10.511 14.907 1.00 0.00 WT1 H ATOM 23241 H2 TIP3 7974 -7.421 -10.933 3.142 1.00 0.00 WT1 H ATOM 23242 OH2 TIP3 7975 3.334 2.585 5.354 1.00 0.00 WT1 O ATOM 23243 H1 TIP3 7975 5.885 -6.565 -4.477 1.00 0.00 WT1 H ATOM 23244 H2 TIP3 7975 2.716 -0.644 3.399 1.00 0.00 WT1 H ATOM 23245 OH2 TIP3 7976 4.109 -7.481 -7.133 1.00 0.00 WT1 O ATOM 23246 H1 TIP3 7976 3.572 -9.983 6.465 1.00 0.00 WT1 H ATOM 23247 H2 TIP3 7976 5.214 -17.635 27.350 1.00 0.00 WT1 H ATOM 23248 OH2 TIP3 7977 -3.533 -4.068 -1.039 1.00 0.00 WT1 O ATOM 23249 H1 TIP3 7977 7.432 -8.743 6.127 1.00 0.00 WT1 H ATOM 23250 H2 TIP3 7977 -4.809 -17.102 -10.853 1.00 0.00 WT1 H ATOM 23251 OH2 TIP3 7978 -2.102 3.263 8.138 1.00 0.00 WT1 O ATOM 23252 H1 TIP3 7978 14.980 -1.963 0.657 1.00 0.00 WT1 H ATOM 23253 H2 TIP3 7978 -15.324 5.822 1.871 1.00 0.00 WT1 H ATOM 23254 OH2 TIP3 7979 2.969 -3.469 6.792 1.00 0.00 WT1 O ATOM 23255 H1 TIP3 7979 -15.086 28.699 25.760 1.00 0.00 WT1 H ATOM 23256 H2 TIP3 7979 1.700 -1.983 5.600 1.00 0.00 WT1 H ATOM 23257 OH2 TIP3 7980 -4.658 -5.181 -8.502 1.00 0.00 WT1 O ATOM 23258 H1 TIP3 7980 10.185 0.616 -21.016 1.00 0.00 WT1 H ATOM 23259 H2 TIP3 7980 -6.140 -15.663 -0.904 1.00 0.00 WT1 H ATOM 23260 OH2 TIP3 7981 0.652 3.808 0.613 1.00 0.00 WT1 O ATOM 23261 H1 TIP3 7981 4.712 -13.497 4.206 1.00 0.00 WT1 H ATOM 23262 H2 TIP3 7981 2.144 8.212 16.134 1.00 0.00 WT1 H ATOM 23263 OH2 TIP3 7982 0.051 -5.314 4.734 1.00 0.00 WT1 O ATOM 23264 H1 TIP3 7982 15.610 -24.034 5.501 1.00 0.00 WT1 H ATOM 23265 H2 TIP3 7982 -8.538 -9.329 -1.943 1.00 0.00 WT1 H ATOM 23266 OH2 TIP3 7983 0.735 -8.724 -0.468 1.00 0.00 WT1 O ATOM 23267 H1 TIP3 7983 -28.858 4.279 -5.912 1.00 0.00 WT1 H ATOM 23268 H2 TIP3 7983 31.579 -18.334 -6.350 1.00 0.00 WT1 H ATOM 23269 OH2 TIP3 7984 4.091 3.562 0.678 1.00 0.00 WT1 O ATOM 23270 H1 TIP3 7984 5.531 16.042 -4.047 1.00 0.00 WT1 H ATOM 23271 H2 TIP3 7984 -24.629 7.163 -11.620 1.00 0.00 WT1 H ATOM 23272 OH2 TIP3 7985 -1.346 -0.195 1.441 1.00 0.00 WT1 O ATOM 23273 H1 TIP3 7985 -19.544 -17.291 6.373 1.00 0.00 WT1 H ATOM 23274 H2 TIP3 7985 -14.479 -4.965 1.174 1.00 0.00 WT1 H ATOM 23275 OH2 TIP3 7986 -0.266 3.551 1.613 1.00 0.00 WT1 O ATOM 23276 H1 TIP3 7986 5.085 -5.369 -9.004 1.00 0.00 WT1 H ATOM 23277 H2 TIP3 7986 -3.154 9.547 8.840 1.00 0.00 WT1 H ATOM 23278 OH2 TIP3 7987 5.057 -5.714 -1.612 1.00 0.00 WT1 O ATOM 23279 H1 TIP3 7987 23.527 27.530 -16.078 1.00 0.00 WT1 H ATOM 23280 H2 TIP3 7987 12.339 10.691 6.011 1.00 0.00 WT1 H ATOM 23281 OH2 TIP3 7988 -0.708 -1.359 -0.834 1.00 0.00 WT1 O ATOM 23282 H1 TIP3 7988 -0.240 -1.955 -5.772 1.00 0.00 WT1 H ATOM 23283 H2 TIP3 7988 31.924 -6.487 22.801 1.00 0.00 WT1 H ATOM 23284 OH2 TIP3 7989 -2.835 -0.438 -6.034 1.00 0.00 WT1 O ATOM 23285 H1 TIP3 7989 -19.116 -0.467 -1.579 1.00 0.00 WT1 H ATOM 23286 H2 TIP3 7989 -10.689 -2.929 -1.737 1.00 0.00 WT1 H ATOM 23287 OH2 TIP3 7990 3.030 4.450 -2.916 1.00 0.00 WT1 O ATOM 23288 H1 TIP3 7990 -7.679 15.844 -12.601 1.00 0.00 WT1 H ATOM 23289 H2 TIP3 7990 5.951 10.504 17.399 1.00 0.00 WT1 H ATOM 23290 OH2 TIP3 7991 -4.521 0.620 -4.103 1.00 0.00 WT1 O ATOM 23291 H1 TIP3 7991 2.131 -19.323 -0.999 1.00 0.00 WT1 H ATOM 23292 H2 TIP3 7991 -8.866 24.745 -6.017 1.00 0.00 WT1 H ATOM 23293 OH2 TIP3 7992 -2.446 1.556 -3.646 1.00 0.00 WT1 O ATOM 23294 H1 TIP3 7992 -1.831 -7.252 -11.827 1.00 0.00 WT1 H ATOM 23295 H2 TIP3 7992 3.709 -12.051 -24.774 1.00 0.00 WT1 H ATOM 23296 OH2 TIP3 7993 -0.077 1.359 1.232 1.00 0.00 WT1 O ATOM 23297 H1 TIP3 7993 -8.741 -3.391 11.005 1.00 0.00 WT1 H ATOM 23298 H2 TIP3 7993 -8.840 3.089 -7.208 1.00 0.00 WT1 H ATOM 23299 OH2 TIP3 7994 0.165 0.633 4.585 1.00 0.00 WT1 O ATOM 23300 H1 TIP3 7994 -14.956 -15.154 -1.448 1.00 0.00 WT1 H ATOM 23301 H2 TIP3 7994 -4.120 5.722 24.891 1.00 0.00 WT1 H ATOM 23302 OH2 TIP3 7995 -3.306 -2.155 0.476 1.00 0.00 WT1 O ATOM 23303 H1 TIP3 7995 -2.143 -4.585 -2.394 1.00 0.00 WT1 H ATOM 23304 H2 TIP3 7995 -5.819 9.795 -7.015 1.00 0.00 WT1 H ATOM 23305 OH2 TIP3 7996 0.028 3.946 6.202 1.00 0.00 WT1 O ATOM 23306 H1 TIP3 7996 -4.397 8.828 10.596 1.00 0.00 WT1 H ATOM 23307 H2 TIP3 7996 -15.568 4.129 17.045 1.00 0.00 WT1 H ATOM 23308 OH2 TIP3 7997 -0.894 1.109 -4.222 1.00 0.00 WT1 O ATOM 23309 H1 TIP3 7997 -10.081 24.012 -15.096 1.00 0.00 WT1 H ATOM 23310 H2 TIP3 7997 -13.549 0.450 21.509 1.00 0.00 WT1 H ATOM 23311 OH2 TIP3 7999 -1.212 1.944 -3.962 1.00 0.00 WT1 O ATOM 23312 H1 TIP3 7999 2.870 4.569 -2.901 1.00 0.00 WT1 H ATOM 23313 H2 TIP3 7999 9.140 6.432 0.312 1.00 0.00 WT1 H ATOM 23314 OH2 TIP3 8000 -4.971 -1.094 -6.253 1.00 0.00 WT1 O ATOM 23315 H1 TIP3 8000 -22.682 21.974 -8.831 1.00 0.00 WT1 H ATOM 23316 H2 TIP3 8000 -1.650 1.947 -2.298 1.00 0.00 WT1 H ATOM 23317 OH2 TIP3 8001 -0.206 2.154 -5.479 1.00 0.00 WT1 O ATOM 23318 H1 TIP3 8001 -1.586 -7.550 30.475 1.00 0.00 WT1 H ATOM 23319 H2 TIP3 8001 6.814 1.185 2.941 1.00 0.00 WT1 H ATOM 23320 OH2 TIP3 8002 -2.624 0.909 9.013 1.00 0.00 WT1 O ATOM 23321 H1 TIP3 8002 12.107 -3.232 21.995 1.00 0.00 WT1 H ATOM 23322 H2 TIP3 8002 0.370 1.389 9.943 1.00 0.00 WT1 H ATOM 23323 OH2 TIP3 8003 1.716 5.272 4.488 1.00 0.00 WT1 O ATOM 23324 H1 TIP3 8003 -2.662 3.294 20.777 1.00 0.00 WT1 H ATOM 23325 H2 TIP3 8003 16.963 17.774 -12.288 1.00 0.00 WT1 H ATOM 23326 OH2 TIP3 8004 -0.168 -0.230 -2.619 1.00 0.00 WT1 O ATOM 23327 H1 TIP3 8004 8.047 2.446 -3.054 1.00 0.00 WT1 H ATOM 23328 H2 TIP3 8004 -0.404 -8.945 -5.729 1.00 0.00 WT1 H ATOM 23329 OH2 TIP3 8005 -10.510 5.334 2.081 1.00 0.00 WT1 O ATOM 23330 H1 TIP3 8005 -5.635 18.308 -15.138 1.00 0.00 WT1 H ATOM 23331 H2 TIP3 8005 4.468 6.864 9.400 1.00 0.00 WT1 H ATOM 23332 OH2 TIP3 8006 -1.145 -1.763 -7.426 1.00 0.00 WT1 O ATOM 23333 H1 TIP3 8006 -15.706 14.315 25.151 1.00 0.00 WT1 H ATOM 23334 H2 TIP3 8006 1.113 -0.731 2.353 1.00 0.00 WT1 H ATOM 23335 OH2 TIP3 8007 2.320 -1.390 3.879 1.00 0.00 WT1 O ATOM 23336 H1 TIP3 8007 0.516 7.345 25.608 1.00 0.00 WT1 H ATOM 23337 H2 TIP3 8007 3.722 -4.354 -4.633 1.00 0.00 WT1 H ATOM 23338 OH2 TIP3 8008 -6.999 4.648 4.957 1.00 0.00 WT1 O ATOM 23339 H1 TIP3 8008 -18.149 5.417 6.141 1.00 0.00 WT1 H ATOM 23340 H2 TIP3 8008 -6.943 13.460 -12.833 1.00 0.00 WT1 H ATOM 23341 OH2 TIP3 8010 0.322 1.184 1.582 1.00 0.00 WT1 O ATOM 23342 H1 TIP3 8010 6.422 23.431 -4.354 1.00 0.00 WT1 H ATOM 23343 H2 TIP3 8010 -9.255 -16.599 -11.866 1.00 0.00 WT1 H ATOM 23344 OH2 TIP3 8011 -4.196 -4.898 2.463 1.00 0.00 WT1 O ATOM 23345 H1 TIP3 8011 -17.383 12.419 10.078 1.00 0.00 WT1 H ATOM 23346 H2 TIP3 8011 -18.472 11.175 8.764 1.00 0.00 WT1 H ATOM 23347 OH2 TIP3 8012 1.505 2.258 -0.295 1.00 0.00 WT1 O ATOM 23348 H1 TIP3 8012 -5.102 15.587 2.886 1.00 0.00 WT1 H ATOM 23349 H2 TIP3 8012 3.985 23.641 11.481 1.00 0.00 WT1 H ATOM 23350 OH2 TIP3 8013 -0.966 -0.142 -5.510 1.00 0.00 WT1 O ATOM 23351 H1 TIP3 8013 -7.300 10.477 -5.814 1.00 0.00 WT1 H ATOM 23352 H2 TIP3 8013 6.859 4.933 -3.793 1.00 0.00 WT1 H ATOM 23353 OH2 TIP3 8014 3.153 0.244 6.254 1.00 0.00 WT1 O ATOM 23354 H1 TIP3 8014 -18.551 0.497 -19.704 1.00 0.00 WT1 H ATOM 23355 H2 TIP3 8014 -36.889 7.693 9.156 1.00 0.00 WT1 H ATOM 23356 OH2 TIP3 8015 -8.782 2.960 2.258 1.00 0.00 WT1 O ATOM 23357 H1 TIP3 8015 -18.921 7.261 25.951 1.00 0.00 WT1 H ATOM 23358 H2 TIP3 8015 22.567 -22.119 -2.068 1.00 0.00 WT1 H ATOM 23359 OH2 TIP3 8016 0.625 1.098 0.063 1.00 0.00 WT1 O ATOM 23360 H1 TIP3 8016 -7.959 2.394 5.328 1.00 0.00 WT1 H ATOM 23361 H2 TIP3 8016 -12.333 9.225 -9.331 1.00 0.00 WT1 H ATOM 23362 OH2 TIP3 8017 1.293 -3.753 -4.843 1.00 0.00 WT1 O ATOM 23363 H1 TIP3 8017 14.400 4.891 4.222 1.00 0.00 WT1 H ATOM 23364 H2 TIP3 8017 -16.654 7.106 -4.421 1.00 0.00 WT1 H ATOM 23365 OH2 TIP3 8018 0.938 5.287 -1.054 1.00 0.00 WT1 O ATOM 23366 H1 TIP3 8018 10.299 -8.470 -25.337 1.00 0.00 WT1 H ATOM 23367 H2 TIP3 8018 1.248 -10.215 -0.540 1.00 0.00 WT1 H ATOM 23368 OH2 TIP3 8019 -0.946 -4.163 1.482 1.00 0.00 WT1 O ATOM 23369 H1 TIP3 8019 -9.855 -15.066 1.003 1.00 0.00 WT1 H ATOM 23370 H2 TIP3 8019 9.743 -12.495 9.070 1.00 0.00 WT1 H ATOM 23371 OH2 TIP3 8020 -5.289 0.912 0.877 1.00 0.00 WT1 O ATOM 23372 H1 TIP3 8020 1.411 23.693 0.330 1.00 0.00 WT1 H ATOM 23373 H2 TIP3 8020 -13.912 4.316 -12.872 1.00 0.00 WT1 H ATOM 23374 OH2 TIP3 8021 -0.231 -0.807 -0.664 1.00 0.00 WT1 O ATOM 23375 H1 TIP3 8021 -2.396 18.573 10.145 1.00 0.00 WT1 H ATOM 23376 H2 TIP3 8021 10.571 15.171 9.082 1.00 0.00 WT1 H ATOM 23377 OH2 TIP3 8022 2.271 -1.885 -0.522 1.00 0.00 WT1 O ATOM 23378 H1 TIP3 8022 22.195 -19.934 15.863 1.00 0.00 WT1 H ATOM 23379 H2 TIP3 8022 -6.853 -6.516 5.515 1.00 0.00 WT1 H ATOM 23380 OH2 TIP3 8023 -1.245 -1.262 -2.205 1.00 0.00 WT1 O ATOM 23381 H1 TIP3 8023 15.524 1.065 -2.395 1.00 0.00 WT1 H ATOM 23382 H2 TIP3 8023 -6.688 9.706 6.716 1.00 0.00 WT1 H ATOM 23383 OH2 TIP3 8024 -3.684 -0.809 -3.320 1.00 0.00 WT1 O ATOM 23384 H1 TIP3 8024 -9.590 3.416 12.943 1.00 0.00 WT1 H ATOM 23385 H2 TIP3 8024 -5.979 0.398 -2.637 1.00 0.00 WT1 H ATOM 23386 OH2 TIP3 8025 10.579 5.133 -3.196 1.00 0.00 WT1 O ATOM 23387 H1 TIP3 8025 7.764 -2.114 -5.550 1.00 0.00 WT1 H ATOM 23388 H2 TIP3 8025 -18.962 7.412 -33.250 1.00 0.00 WT1 H ATOM 23389 OH2 TIP3 8026 -5.618 -6.441 -1.859 1.00 0.00 WT1 O ATOM 23390 H1 TIP3 8026 -27.612 6.341 25.028 1.00 0.00 WT1 H ATOM 23391 H2 TIP3 8026 -20.926 -4.893 1.895 1.00 0.00 WT1 H ATOM 23392 OH2 TIP3 8027 1.164 -0.890 1.374 1.00 0.00 WT1 O ATOM 23393 H1 TIP3 8027 12.655 -4.938 1.634 1.00 0.00 WT1 H ATOM 23394 H2 TIP3 8027 -3.533 -30.984 -14.933 1.00 0.00 WT1 H ATOM 23395 OH2 TIP3 8028 3.162 -2.669 8.368 1.00 0.00 WT1 O ATOM 23396 H1 TIP3 8028 -4.970 0.318 9.562 1.00 0.00 WT1 H ATOM 23397 H2 TIP3 8028 -9.396 19.515 8.238 1.00 0.00 WT1 H ATOM 23398 OH2 TIP3 8029 1.110 -3.830 1.988 1.00 0.00 WT1 O ATOM 23399 H1 TIP3 8029 -20.769 15.133 -13.852 1.00 0.00 WT1 H ATOM 23400 H2 TIP3 8029 10.257 7.757 14.615 1.00 0.00 WT1 H ATOM 23401 OH2 TIP3 8030 -1.949 3.456 -0.062 1.00 0.00 WT1 O ATOM 23402 H1 TIP3 8030 -19.808 10.583 -12.513 1.00 0.00 WT1 H ATOM 23403 H2 TIP3 8030 8.313 -0.180 -10.431 1.00 0.00 WT1 H ATOM 23404 OH2 TIP3 8032 -6.873 -0.327 -1.360 1.00 0.00 WT1 O ATOM 23405 H1 TIP3 8032 3.939 0.560 9.057 1.00 0.00 WT1 H ATOM 23406 H2 TIP3 8032 -34.938 -9.029 -7.142 1.00 0.00 WT1 H ATOM 23407 OH2 TIP3 8033 1.625 -0.434 -8.494 1.00 0.00 WT1 O ATOM 23408 H1 TIP3 8033 -9.412 12.015 -5.612 1.00 0.00 WT1 H ATOM 23409 H2 TIP3 8033 0.294 0.449 -5.805 1.00 0.00 WT1 H ATOM 23410 OH2 TIP3 8034 -1.999 -7.971 -2.463 1.00 0.00 WT1 O ATOM 23411 H1 TIP3 8034 17.015 -8.345 5.383 1.00 0.00 WT1 H ATOM 23412 H2 TIP3 8034 -14.733 -14.483 11.174 1.00 0.00 WT1 H ATOM 23413 OH2 TIP3 8035 1.063 1.936 4.020 1.00 0.00 WT1 O ATOM 23414 H1 TIP3 8035 6.477 6.994 0.451 1.00 0.00 WT1 H ATOM 23415 H2 TIP3 8035 -11.748 -3.193 -4.626 1.00 0.00 WT1 H ATOM 23416 OH2 TIP3 8036 -0.839 1.069 -3.604 1.00 0.00 WT1 O ATOM 23417 H1 TIP3 8036 -3.108 -1.772 2.619 1.00 0.00 WT1 H ATOM 23418 H2 TIP3 8036 5.933 8.785 3.225 1.00 0.00 WT1 H ATOM 23419 OH2 TIP3 8037 2.461 -2.606 1.202 1.00 0.00 WT1 O ATOM 23420 H1 TIP3 8037 -8.614 10.227 -5.413 1.00 0.00 WT1 H ATOM 23421 H2 TIP3 8037 9.808 -10.251 7.271 1.00 0.00 WT1 H ATOM 23422 OH2 TIP3 8038 -4.127 -2.052 -1.815 1.00 0.00 WT1 O ATOM 23423 H1 TIP3 8038 -20.276 6.205 3.864 1.00 0.00 WT1 H ATOM 23424 H2 TIP3 8038 15.701 -0.349 -8.378 1.00 0.00 WT1 H ATOM 23425 OH2 TIP3 8039 -6.741 -0.041 -0.206 1.00 0.00 WT1 O ATOM 23426 H1 TIP3 8039 -0.662 4.109 2.629 1.00 0.00 WT1 H ATOM 23427 H2 TIP3 8039 -8.547 -1.672 1.475 1.00 0.00 WT1 H ATOM 23428 OH2 TIP3 8040 0.236 -5.362 -0.036 1.00 0.00 WT1 O ATOM 23429 H1 TIP3 8040 24.997 -3.516 35.235 1.00 0.00 WT1 H ATOM 23430 H2 TIP3 8040 14.054 -6.902 14.047 1.00 0.00 WT1 H ATOM 23431 OH2 TIP3 8041 -0.518 -9.792 0.765 1.00 0.00 WT1 O ATOM 23432 H1 TIP3 8041 31.091 -5.511 14.853 1.00 0.00 WT1 H ATOM 23433 H2 TIP3 8041 5.784 -4.331 3.042 1.00 0.00 WT1 H ATOM 23434 OH2 TIP3 8042 3.581 1.866 1.690 1.00 0.00 WT1 O ATOM 23435 H1 TIP3 8042 11.169 5.089 -9.175 1.00 0.00 WT1 H ATOM 23436 H2 TIP3 8042 -5.013 11.946 4.887 1.00 0.00 WT1 H ATOM 23437 OH2 TIP3 8043 -2.913 1.031 0.033 1.00 0.00 WT1 O ATOM 23438 H1 TIP3 8043 -9.008 -5.311 19.913 1.00 0.00 WT1 H ATOM 23439 H2 TIP3 8043 4.884 -14.947 -0.134 1.00 0.00 WT1 H ATOM 23440 OH2 TIP3 8044 10.516 7.323 0.877 1.00 0.00 WT1 O ATOM 23441 H1 TIP3 8044 6.469 20.353 -9.417 1.00 0.00 WT1 H ATOM 23442 H2 TIP3 8044 -9.490 15.686 -8.758 1.00 0.00 WT1 H ATOM 23443 OH2 TIP3 8045 -1.213 -4.322 1.350 1.00 0.00 WT1 O ATOM 23444 H1 TIP3 8045 4.043 3.044 -6.876 1.00 0.00 WT1 H ATOM 23445 H2 TIP3 8045 -13.025 -13.365 -19.058 1.00 0.00 WT1 H ATOM 23446 OH2 TIP3 8046 -0.274 -1.811 7.115 1.00 0.00 WT1 O ATOM 23447 H1 TIP3 8046 20.285 -2.408 -0.792 1.00 0.00 WT1 H ATOM 23448 H2 TIP3 8046 -0.357 -1.133 6.620 1.00 0.00 WT1 H ATOM 23449 OH2 TIP3 8047 1.249 4.288 -6.127 1.00 0.00 WT1 O ATOM 23450 H1 TIP3 8047 16.785 22.897 -19.734 1.00 0.00 WT1 H ATOM 23451 H2 TIP3 8047 -18.191 -0.288 -25.013 1.00 0.00 WT1 H ATOM 23452 OH2 TIP3 8049 3.902 4.153 -1.618 1.00 0.00 WT1 O ATOM 23453 H1 TIP3 8049 18.200 4.157 -22.351 1.00 0.00 WT1 H ATOM 23454 H2 TIP3 8049 5.986 -11.204 3.724 1.00 0.00 WT1 H ATOM 23455 OH2 TIP3 8050 5.163 0.664 -5.004 1.00 0.00 WT1 O ATOM 23456 H1 TIP3 8050 6.797 -2.513 2.732 1.00 0.00 WT1 H ATOM 23457 H2 TIP3 8050 -2.305 2.585 -7.514 1.00 0.00 WT1 H ATOM 23458 OH2 TIP3 8051 -1.167 1.747 0.297 1.00 0.00 WT1 O ATOM 23459 H1 TIP3 8051 -5.996 -3.577 -8.073 1.00 0.00 WT1 H ATOM 23460 H2 TIP3 8051 5.382 -9.339 -1.697 1.00 0.00 WT1 H ATOM 23461 OH2 TIP3 8052 1.189 -1.088 4.052 1.00 0.00 WT1 O ATOM 23462 H1 TIP3 8052 0.069 -2.558 4.546 1.00 0.00 WT1 H ATOM 23463 H2 TIP3 8052 0.856 0.735 4.966 1.00 0.00 WT1 H ATOM 23464 OH2 TIP3 8053 -4.641 2.285 5.349 1.00 0.00 WT1 O ATOM 23465 H1 TIP3 8053 3.479 15.690 -3.417 1.00 0.00 WT1 H ATOM 23466 H2 TIP3 8053 -10.819 -5.481 -10.609 1.00 0.00 WT1 H ATOM 23467 OH2 TIP3 8054 1.352 -4.051 0.444 1.00 0.00 WT1 O ATOM 23468 H1 TIP3 8054 -4.535 -6.087 0.452 1.00 0.00 WT1 H ATOM 23469 H2 TIP3 8054 -13.378 -18.974 -5.823 1.00 0.00 WT1 H ATOM 23470 OH2 TIP3 8055 -0.454 4.263 2.793 1.00 0.00 WT1 O ATOM 23471 H1 TIP3 8055 19.609 -8.197 1.388 1.00 0.00 WT1 H ATOM 23472 H2 TIP3 8055 -22.582 27.359 6.472 1.00 0.00 WT1 H ATOM 23473 OH2 TIP3 8056 0.084 0.254 -3.393 1.00 0.00 WT1 O ATOM 23474 H1 TIP3 8056 -14.009 0.585 -6.746 1.00 0.00 WT1 H ATOM 23475 H2 TIP3 8056 6.881 -17.290 -2.681 1.00 0.00 WT1 H ATOM 23476 OH2 TIP3 8057 3.909 1.956 -1.163 1.00 0.00 WT1 O ATOM 23477 H1 TIP3 8057 3.858 5.230 -16.825 1.00 0.00 WT1 H ATOM 23478 H2 TIP3 8057 4.582 5.041 -15.460 1.00 0.00 WT1 H ATOM 23479 OH2 TIP3 8058 -2.461 2.323 -0.159 1.00 0.00 WT1 O ATOM 23480 H1 TIP3 8058 -21.962 15.749 18.159 1.00 0.00 WT1 H ATOM 23481 H2 TIP3 8058 17.601 4.997 -17.361 1.00 0.00 WT1 H ATOM 23482 OH2 TIP3 8059 6.028 4.569 5.166 1.00 0.00 WT1 O ATOM 23483 H1 TIP3 8059 2.883 4.656 2.397 1.00 0.00 WT1 H ATOM 23484 H2 TIP3 8059 30.565 -8.817 -5.406 1.00 0.00 WT1 H ATOM 23485 OH2 TIP3 8060 6.495 -2.729 -2.178 1.00 0.00 WT1 O ATOM 23486 H1 TIP3 8060 9.699 6.152 19.895 1.00 0.00 WT1 H ATOM 23487 H2 TIP3 8060 13.831 3.935 -12.645 1.00 0.00 WT1 H ATOM 23488 OH2 TIP3 8061 -2.978 8.093 1.760 1.00 0.00 WT1 O ATOM 23489 H1 TIP3 8061 9.436 19.172 3.206 1.00 0.00 WT1 H ATOM 23490 H2 TIP3 8061 4.058 -5.790 -5.705 1.00 0.00 WT1 H ATOM 23491 OH2 TIP3 8062 -2.435 -2.766 -0.296 1.00 0.00 WT1 O ATOM 23492 H1 TIP3 8062 -9.244 -4.534 16.489 1.00 0.00 WT1 H ATOM 23493 H2 TIP3 8062 -1.081 -15.123 13.768 1.00 0.00 WT1 H ATOM 23494 OH2 TIP3 8063 -1.033 0.952 5.214 1.00 0.00 WT1 O ATOM 23495 H1 TIP3 8063 -11.651 -35.075 -7.328 1.00 0.00 WT1 H ATOM 23496 H2 TIP3 8063 -1.152 -2.057 -0.805 1.00 0.00 WT1 H ATOM 23497 OH2 TIP3 8064 -1.442 1.642 0.441 1.00 0.00 WT1 O ATOM 23498 H1 TIP3 8064 0.672 -17.153 26.614 1.00 0.00 WT1 H ATOM 23499 H2 TIP3 8064 19.223 -10.621 -26.029 1.00 0.00 WT1 H ATOM 23500 OH2 TIP3 8065 1.336 0.212 2.809 1.00 0.00 WT1 O ATOM 23501 H1 TIP3 8065 -16.097 -0.276 -4.854 1.00 0.00 WT1 H ATOM 23502 H2 TIP3 8065 -16.767 -0.008 -5.175 1.00 0.00 WT1 H ATOM 23503 OH2 TIP3 8066 0.729 -1.002 9.219 1.00 0.00 WT1 O ATOM 23504 H1 TIP3 8066 -0.689 -4.758 8.863 1.00 0.00 WT1 H ATOM 23505 H2 TIP3 8066 -2.038 0.151 5.387 1.00 0.00 WT1 H ATOM 23506 OH2 TIP3 8067 8.306 -2.381 -6.949 1.00 0.00 WT1 O ATOM 23507 H1 TIP3 8067 -9.016 -1.390 -1.696 1.00 0.00 WT1 H ATOM 23508 H2 TIP3 8067 -2.520 5.799 3.548 1.00 0.00 WT1 H ATOM 23509 OH2 TIP3 8068 3.519 -11.342 -0.859 1.00 0.00 WT1 O ATOM 23510 H1 TIP3 8068 -2.392 7.020 2.308 1.00 0.00 WT1 H ATOM 23511 H2 TIP3 8068 -8.962 -14.425 -15.322 1.00 0.00 WT1 H ATOM 23512 OH2 TIP3 8069 0.268 -1.497 -3.678 1.00 0.00 WT1 O ATOM 23513 H1 TIP3 8069 -9.082 -10.406 -4.120 1.00 0.00 WT1 H ATOM 23514 H2 TIP3 8069 0.561 -9.497 -8.790 1.00 0.00 WT1 H ATOM 23515 OH2 TIP3 8070 -3.560 -2.487 -4.808 1.00 0.00 WT1 O ATOM 23516 H1 TIP3 8070 -13.525 -5.995 -5.351 1.00 0.00 WT1 H ATOM 23517 H2 TIP3 8070 -0.723 -3.863 23.553 1.00 0.00 WT1 H ATOM 23518 OH2 TIP3 8071 0.683 -2.072 5.072 1.00 0.00 WT1 O ATOM 23519 H1 TIP3 8071 4.494 5.470 0.406 1.00 0.00 WT1 H ATOM 23520 H2 TIP3 8071 10.601 4.613 1.799 1.00 0.00 WT1 H ATOM 23521 OH2 TIP3 8072 1.564 2.927 1.030 1.00 0.00 WT1 O ATOM 23522 H1 TIP3 8072 20.342 14.047 9.365 1.00 0.00 WT1 H ATOM 23523 H2 TIP3 8072 2.294 -6.039 -2.826 1.00 0.00 WT1 H ATOM 23524 OH2 TIP3 8073 6.883 1.671 0.404 1.00 0.00 WT1 O ATOM 23525 H1 TIP3 8073 16.548 -7.205 3.870 1.00 0.00 WT1 H ATOM 23526 H2 TIP3 8073 9.144 7.629 -13.341 1.00 0.00 WT1 H ATOM 23527 OH2 TIP3 8074 0.083 3.754 3.766 1.00 0.00 WT1 O ATOM 23528 H1 TIP3 8074 5.756 4.654 2.243 1.00 0.00 WT1 H ATOM 23529 H2 TIP3 8074 -4.289 11.592 1.302 1.00 0.00 WT1 H ATOM 23530 OH2 TIP3 8075 -2.680 -1.484 0.489 1.00 0.00 WT1 O ATOM 23531 H1 TIP3 8075 -2.649 -17.531 6.007 1.00 0.00 WT1 H ATOM 23532 H2 TIP3 8075 -9.189 9.537 11.889 1.00 0.00 WT1 H ATOM 23533 OH2 TIP3 8076 -1.464 -6.455 0.785 1.00 0.00 WT1 O ATOM 23534 H1 TIP3 8076 -1.957 15.633 -2.219 1.00 0.00 WT1 H ATOM 23535 H2 TIP3 8076 -9.181 -5.102 8.175 1.00 0.00 WT1 H ATOM 23536 OH2 TIP3 8077 -7.245 -7.645 -5.746 1.00 0.00 WT1 O ATOM 23537 H1 TIP3 8077 -10.176 -4.220 1.049 1.00 0.00 WT1 H ATOM 23538 H2 TIP3 8077 11.475 -0.920 3.695 1.00 0.00 WT1 H ATOM 23539 OH2 TIP3 8078 -3.674 10.670 -0.071 1.00 0.00 WT1 O ATOM 23540 H1 TIP3 8078 -2.254 -2.429 -11.006 1.00 0.00 WT1 H ATOM 23541 H2 TIP3 8078 13.612 5.563 -0.051 1.00 0.00 WT1 H ATOM 23542 OH2 TIP3 8079 6.895 5.918 7.721 1.00 0.00 WT1 O ATOM 23543 H1 TIP3 8079 9.634 6.053 4.855 1.00 0.00 WT1 H ATOM 23544 H2 TIP3 8079 -3.966 2.233 4.037 1.00 0.00 WT1 H ATOM 23545 OH2 TIP3 8080 2.053 -1.905 7.507 1.00 0.00 WT1 O ATOM 23546 H1 TIP3 8080 33.815 1.115 -0.625 1.00 0.00 WT1 H ATOM 23547 H2 TIP3 8080 -9.475 26.206 -0.941 1.00 0.00 WT1 H ATOM 23548 OH2 TIP3 8081 -1.242 6.627 0.247 1.00 0.00 WT1 O ATOM 23549 H1 TIP3 8081 -1.250 7.093 -2.169 1.00 0.00 WT1 H ATOM 23550 H2 TIP3 8081 -5.551 5.743 10.572 1.00 0.00 WT1 H ATOM 23551 OH2 TIP3 8082 -0.677 -1.668 -5.222 1.00 0.00 WT1 O ATOM 23552 H1 TIP3 8082 -4.529 -7.295 -7.318 1.00 0.00 WT1 H ATOM 23553 H2 TIP3 8082 -10.253 -1.430 -17.697 1.00 0.00 WT1 H ATOM 23554 OH2 TIP3 8083 2.411 -3.273 -3.799 1.00 0.00 WT1 O ATOM 23555 H1 TIP3 8083 -3.056 7.578 -18.075 1.00 0.00 WT1 H ATOM 23556 H2 TIP3 8083 4.144 10.094 3.968 1.00 0.00 WT1 H ATOM 23557 OH2 TIP3 8084 4.699 1.317 0.220 1.00 0.00 WT1 O ATOM 23558 H1 TIP3 8084 1.276 -0.701 4.680 1.00 0.00 WT1 H ATOM 23559 H2 TIP3 8084 2.555 0.924 -1.979 1.00 0.00 WT1 H ATOM 23560 OH2 TIP3 8085 -1.286 -1.059 0.171 1.00 0.00 WT1 O ATOM 23561 H1 TIP3 8085 8.047 -2.089 -17.091 1.00 0.00 WT1 H ATOM 23562 H2 TIP3 8085 20.862 -9.882 3.394 1.00 0.00 WT1 H ATOM 23563 OH2 TIP3 8086 -7.577 4.452 -4.630 1.00 0.00 WT1 O ATOM 23564 H1 TIP3 8086 -3.467 7.583 17.088 1.00 0.00 WT1 H ATOM 23565 H2 TIP3 8086 -17.522 4.541 -18.874 1.00 0.00 WT1 H ATOM 23566 OH2 TIP3 8087 -5.106 4.791 -4.892 1.00 0.00 WT1 O ATOM 23567 H1 TIP3 8087 2.704 -1.555 -0.193 1.00 0.00 WT1 H ATOM 23568 H2 TIP3 8087 4.387 4.927 -7.499 1.00 0.00 WT1 H ATOM 23569 OH2 TIP3 8088 2.223 -3.072 0.773 1.00 0.00 WT1 O ATOM 23570 H1 TIP3 8088 -2.286 -3.949 2.581 1.00 0.00 WT1 H ATOM 23571 H2 TIP3 8088 -6.499 -9.414 5.066 1.00 0.00 WT1 H ATOM 23572 OH2 TIP3 8089 7.472 3.368 -4.114 1.00 0.00 WT1 O ATOM 23573 H1 TIP3 8089 9.517 -0.686 13.495 1.00 0.00 WT1 H ATOM 23574 H2 TIP3 8089 5.274 9.008 21.068 1.00 0.00 WT1 H ATOM 23575 OH2 TIP3 8090 -0.164 0.710 4.683 1.00 0.00 WT1 O ATOM 23576 H1 TIP3 8090 -6.475 2.219 -4.611 1.00 0.00 WT1 H ATOM 23577 H2 TIP3 8090 2.883 7.355 20.897 1.00 0.00 WT1 H ATOM 23578 OH2 TIP3 8091 1.020 1.508 -2.451 1.00 0.00 WT1 O ATOM 23579 H1 TIP3 8091 7.848 9.885 -10.623 1.00 0.00 WT1 H ATOM 23580 H2 TIP3 8091 13.688 12.819 2.539 1.00 0.00 WT1 H ATOM 23581 OH2 TIP3 8092 -1.187 -2.132 -1.299 1.00 0.00 WT1 O ATOM 23582 H1 TIP3 8092 6.169 9.734 -9.732 1.00 0.00 WT1 H ATOM 23583 H2 TIP3 8092 -10.205 2.113 3.452 1.00 0.00 WT1 H ATOM 23584 OH2 TIP3 8093 1.348 -2.228 -4.980 1.00 0.00 WT1 O ATOM 23585 H1 TIP3 8093 -11.840 2.850 -10.210 1.00 0.00 WT1 H ATOM 23586 H2 TIP3 8093 4.852 -5.401 20.877 1.00 0.00 WT1 H ATOM 23587 OH2 TIP3 8094 3.491 2.993 6.556 1.00 0.00 WT1 O ATOM 23588 H1 TIP3 8094 5.632 8.956 -8.824 1.00 0.00 WT1 H ATOM 23589 H2 TIP3 8094 4.419 -1.173 16.874 1.00 0.00 WT1 H ATOM 23590 OH2 TIP3 8095 4.053 -1.086 -5.326 1.00 0.00 WT1 O ATOM 23591 H1 TIP3 8095 -10.597 -4.972 -11.609 1.00 0.00 WT1 H ATOM 23592 H2 TIP3 8095 0.914 -2.861 16.592 1.00 0.00 WT1 H ATOM 23593 OH2 TIP3 8096 -5.690 0.231 0.632 1.00 0.00 WT1 O ATOM 23594 H1 TIP3 8096 6.459 -16.774 -3.924 1.00 0.00 WT1 H ATOM 23595 H2 TIP3 8096 10.254 6.585 -0.991 1.00 0.00 WT1 H ATOM 23596 OH2 TIP3 8097 -0.882 -5.841 -6.030 1.00 0.00 WT1 O ATOM 23597 H1 TIP3 8097 3.933 -3.132 -10.821 1.00 0.00 WT1 H ATOM 23598 H2 TIP3 8097 -24.875 -15.415 28.400 1.00 0.00 WT1 H ATOM 23599 OH2 TIP3 8098 -5.155 3.862 8.080 1.00 0.00 WT1 O ATOM 23600 H1 TIP3 8098 -24.764 18.353 12.329 1.00 0.00 WT1 H ATOM 23601 H2 TIP3 8098 -3.084 -9.260 1.762 1.00 0.00 WT1 H ATOM 23602 OH2 TIP3 8099 4.904 -1.561 3.095 1.00 0.00 WT1 O ATOM 23603 H1 TIP3 8099 9.050 -4.137 9.799 1.00 0.00 WT1 H ATOM 23604 H2 TIP3 8099 0.222 -3.823 3.018 1.00 0.00 WT1 H ATOM 23605 OH2 TIP3 8100 1.950 -1.069 -1.493 1.00 0.00 WT1 O ATOM 23606 H1 TIP3 8100 2.102 -7.810 1.306 1.00 0.00 WT1 H ATOM 23607 H2 TIP3 8100 -9.304 -0.471 1.982 1.00 0.00 WT1 H ATOM 23608 OH2 TIP3 8101 4.204 -2.925 -1.409 1.00 0.00 WT1 O ATOM 23609 H1 TIP3 8101 12.706 0.746 6.351 1.00 0.00 WT1 H ATOM 23610 H2 TIP3 8101 -4.202 -3.642 -1.085 1.00 0.00 WT1 H ATOM 23611 OH2 TIP3 8102 0.396 2.599 6.473 1.00 0.00 WT1 O ATOM 23612 H1 TIP3 8102 3.644 19.830 10.944 1.00 0.00 WT1 H ATOM 23613 H2 TIP3 8102 -0.360 7.337 -6.034 1.00 0.00 WT1 H ATOM 23614 OH2 TIP3 8103 4.126 -5.258 -2.313 1.00 0.00 WT1 O ATOM 23615 H1 TIP3 8103 -7.420 -34.521 3.910 1.00 0.00 WT1 H ATOM 23616 H2 TIP3 8103 3.247 0.721 2.260 1.00 0.00 WT1 H ATOM 23617 OH2 TIP3 8104 3.510 -4.212 2.501 1.00 0.00 WT1 O ATOM 23618 H1 TIP3 8104 0.974 -3.738 -0.150 1.00 0.00 WT1 H ATOM 23619 H2 TIP3 8104 -8.460 6.782 8.040 1.00 0.00 WT1 H ATOM 23620 OH2 TIP3 8105 0.131 -7.107 0.105 1.00 0.00 WT1 O ATOM 23621 H1 TIP3 8105 -9.024 -0.223 -8.833 1.00 0.00 WT1 H ATOM 23622 H2 TIP3 8105 4.274 -7.058 -14.294 1.00 0.00 WT1 H ATOM 23623 OH2 TIP3 8106 6.938 3.974 0.944 1.00 0.00 WT1 O ATOM 23624 H1 TIP3 8106 39.394 21.478 11.649 1.00 0.00 WT1 H ATOM 23625 H2 TIP3 8106 -17.610 -0.206 9.170 1.00 0.00 WT1 H ATOM 23626 OH2 TIP3 8107 -9.361 -0.757 -0.480 1.00 0.00 WT1 O ATOM 23627 H1 TIP3 8107 0.866 -1.044 -5.471 1.00 0.00 WT1 H ATOM 23628 H2 TIP3 8107 -12.509 -10.832 -1.764 1.00 0.00 WT1 H ATOM 23629 OH2 TIP3 8108 0.652 -0.905 0.689 1.00 0.00 WT1 O ATOM 23630 H1 TIP3 8108 0.492 2.545 8.856 1.00 0.00 WT1 H ATOM 23631 H2 TIP3 8108 4.296 2.049 -4.170 1.00 0.00 WT1 H ATOM 23632 OH2 TIP3 8109 1.278 1.607 0.830 1.00 0.00 WT1 O ATOM 23633 H1 TIP3 8109 13.814 -4.374 7.954 1.00 0.00 WT1 H ATOM 23634 H2 TIP3 8109 14.155 -4.422 4.039 1.00 0.00 WT1 H ATOM 23635 OH2 TIP3 8110 1.382 -0.361 -5.979 1.00 0.00 WT1 O ATOM 23636 H1 TIP3 8110 2.094 20.304 -5.929 1.00 0.00 WT1 H ATOM 23637 H2 TIP3 8110 19.059 -6.887 18.667 1.00 0.00 WT1 H ATOM 23638 OH2 TIP3 8111 -0.475 -0.200 -3.033 1.00 0.00 WT1 O ATOM 23639 H1 TIP3 8111 -6.161 -28.987 11.181 1.00 0.00 WT1 H ATOM 23640 H2 TIP3 8111 -2.792 -4.239 -4.652 1.00 0.00 WT1 H ATOM 23641 OH2 TIP3 8112 0.489 -0.638 2.698 1.00 0.00 WT1 O ATOM 23642 H1 TIP3 8112 10.150 -7.805 15.520 1.00 0.00 WT1 H ATOM 23643 H2 TIP3 8112 -5.346 5.221 -3.701 1.00 0.00 WT1 H ATOM 23644 OH2 TIP3 8113 7.069 -1.366 7.633 1.00 0.00 WT1 O ATOM 23645 H1 TIP3 8113 4.788 -7.234 -1.917 1.00 0.00 WT1 H ATOM 23646 H2 TIP3 8113 -6.378 7.829 -3.054 1.00 0.00 WT1 H ATOM 23647 OH2 TIP3 8114 -3.660 -3.158 2.413 1.00 0.00 WT1 O ATOM 23648 H1 TIP3 8114 -20.111 12.246 11.685 1.00 0.00 WT1 H ATOM 23649 H2 TIP3 8114 3.504 -19.591 -24.732 1.00 0.00 WT1 H ATOM 23650 OH2 TIP3 8116 -0.332 0.884 0.472 1.00 0.00 WT1 O ATOM 23651 H1 TIP3 8116 -11.272 -21.523 7.439 1.00 0.00 WT1 H ATOM 23652 H2 TIP3 8116 5.193 -2.613 -14.522 1.00 0.00 WT1 H ATOM 23653 OH2 TIP3 8117 -3.626 2.060 3.223 1.00 0.00 WT1 O ATOM 23654 H1 TIP3 8117 -6.326 11.126 -25.519 1.00 0.00 WT1 H ATOM 23655 H2 TIP3 8117 2.993 -9.924 10.717 1.00 0.00 WT1 H ATOM 23656 OH2 TIP3 8118 12.731 2.788 -2.542 1.00 0.00 WT1 O ATOM 23657 H1 TIP3 8118 0.174 15.197 -10.472 1.00 0.00 WT1 H ATOM 23658 H2 TIP3 8118 -2.238 5.127 -3.156 1.00 0.00 WT1 H ATOM 23659 OH2 TIP3 8119 2.060 -1.728 1.117 1.00 0.00 WT1 O ATOM 23660 H1 TIP3 8119 1.411 -0.898 23.368 1.00 0.00 WT1 H ATOM 23661 H2 TIP3 8119 -3.017 0.513 -17.544 1.00 0.00 WT1 H ATOM 23662 OH2 TIP3 8120 0.249 4.678 -1.507 1.00 0.00 WT1 O ATOM 23663 H1 TIP3 8120 3.023 4.666 3.063 1.00 0.00 WT1 H ATOM 23664 H2 TIP3 8120 5.211 22.124 -10.601 1.00 0.00 WT1 H ATOM 23665 OH2 TIP3 8121 -1.061 -7.482 1.354 1.00 0.00 WT1 O ATOM 23666 H1 TIP3 8121 7.813 3.405 11.596 1.00 0.00 WT1 H ATOM 23667 H2 TIP3 8121 9.515 8.238 0.026 1.00 0.00 WT1 H ATOM 23668 OH2 TIP3 8122 -5.010 2.360 8.080 1.00 0.00 WT1 O ATOM 23669 H1 TIP3 8122 -7.519 9.570 1.986 1.00 0.00 WT1 H ATOM 23670 H2 TIP3 8122 1.958 -17.499 25.580 1.00 0.00 WT1 H ATOM 23671 OH2 TIP3 8123 3.472 0.221 4.257 1.00 0.00 WT1 O ATOM 23672 H1 TIP3 8123 1.713 2.016 -6.986 1.00 0.00 WT1 H ATOM 23673 H2 TIP3 8123 -7.755 -5.914 18.972 1.00 0.00 WT1 H ATOM 23674 OH2 TIP3 8124 -8.587 -0.880 2.038 1.00 0.00 WT1 O ATOM 23675 H1 TIP3 8124 -0.913 4.439 -6.141 1.00 0.00 WT1 H ATOM 23676 H2 TIP3 8124 -5.710 8.332 -1.252 1.00 0.00 WT1 H ATOM 23677 OH2 TIP3 8125 -1.425 -2.633 6.613 1.00 0.00 WT1 O ATOM 23678 H1 TIP3 8125 -24.807 -5.361 11.567 1.00 0.00 WT1 H ATOM 23679 H2 TIP3 8125 11.414 -3.519 -4.635 1.00 0.00 WT1 H ATOM 23680 OH2 TIP3 8126 -3.275 3.133 -3.363 1.00 0.00 WT1 O ATOM 23681 H1 TIP3 8126 -5.600 -0.416 -4.345 1.00 0.00 WT1 H ATOM 23682 H2 TIP3 8126 -0.190 7.704 11.615 1.00 0.00 WT1 H ATOM 23683 OH2 TIP3 8127 -8.683 4.850 1.635 1.00 0.00 WT1 O ATOM 23684 H1 TIP3 8127 4.098 3.341 -13.026 1.00 0.00 WT1 H ATOM 23685 H2 TIP3 8127 0.249 4.718 17.293 1.00 0.00 WT1 H ATOM 23686 OH2 TIP3 8128 6.688 -0.456 -2.768 1.00 0.00 WT1 O ATOM 23687 H1 TIP3 8128 7.075 -1.163 -2.878 1.00 0.00 WT1 H ATOM 23688 H2 TIP3 8128 10.853 -3.535 -6.938 1.00 0.00 WT1 H ATOM 23689 OH2 TIP3 8129 3.954 2.441 1.182 1.00 0.00 WT1 O ATOM 23690 H1 TIP3 8129 5.682 -12.942 0.949 1.00 0.00 WT1 H ATOM 23691 H2 TIP3 8129 -4.015 11.155 25.778 1.00 0.00 WT1 H ATOM 23692 OH2 TIP3 8130 -4.687 1.640 0.789 1.00 0.00 WT1 O ATOM 23693 H1 TIP3 8130 0.750 10.329 -1.548 1.00 0.00 WT1 H ATOM 23694 H2 TIP3 8130 -22.885 1.812 -1.886 1.00 0.00 WT1 H ATOM 23695 OH2 TIP3 8131 5.501 7.282 -8.486 1.00 0.00 WT1 O ATOM 23696 H1 TIP3 8131 8.313 5.289 -0.847 1.00 0.00 WT1 H ATOM 23697 H2 TIP3 8131 24.284 -3.995 18.010 1.00 0.00 WT1 H ATOM 23698 OH2 TIP3 8132 -2.378 -8.997 5.431 1.00 0.00 WT1 O ATOM 23699 H1 TIP3 8132 -0.905 -1.340 0.088 1.00 0.00 WT1 H ATOM 23700 H2 TIP3 8132 11.050 7.117 -13.307 1.00 0.00 WT1 H ATOM 23701 OH2 TIP3 8133 -0.373 2.906 -2.430 1.00 0.00 WT1 O ATOM 23702 H1 TIP3 8133 -13.196 -4.651 -2.275 1.00 0.00 WT1 H ATOM 23703 H2 TIP3 8133 4.087 -8.488 3.751 1.00 0.00 WT1 H ATOM 23704 OH2 TIP3 8134 -0.617 3.754 -0.218 1.00 0.00 WT1 O ATOM 23705 H1 TIP3 8134 -20.355 -6.917 1.805 1.00 0.00 WT1 H ATOM 23706 H2 TIP3 8134 5.972 -1.715 -20.317 1.00 0.00 WT1 H ATOM 23707 OH2 TIP3 8135 -3.449 -0.900 -7.419 1.00 0.00 WT1 O ATOM 23708 H1 TIP3 8135 -3.304 -4.914 -8.555 1.00 0.00 WT1 H ATOM 23709 H2 TIP3 8135 -5.173 -9.993 8.382 1.00 0.00 WT1 H ATOM 23710 OH2 TIP3 8136 0.898 -4.317 0.689 1.00 0.00 WT1 O ATOM 23711 H1 TIP3 8136 11.677 -17.394 7.921 1.00 0.00 WT1 H ATOM 23712 H2 TIP3 8136 -7.734 -7.929 4.314 1.00 0.00 WT1 H ATOM 23713 OH2 TIP3 8137 7.446 6.731 -2.567 1.00 0.00 WT1 O ATOM 23714 H1 TIP3 8137 4.195 0.768 2.582 1.00 0.00 WT1 H ATOM 23715 H2 TIP3 8137 14.429 3.409 -4.930 1.00 0.00 WT1 H ATOM 23716 OH2 TIP3 8138 -2.973 -4.224 5.878 1.00 0.00 WT1 O ATOM 23717 H1 TIP3 8138 -9.814 -28.199 16.886 1.00 0.00 WT1 H ATOM 23718 H2 TIP3 8138 10.163 6.079 1.458 1.00 0.00 WT1 H ATOM 23719 OH2 TIP3 8139 2.443 -2.622 -0.595 1.00 0.00 WT1 O ATOM 23720 H1 TIP3 8139 0.974 -13.094 -11.452 1.00 0.00 WT1 H ATOM 23721 H2 TIP3 8139 -6.865 10.250 10.098 1.00 0.00 WT1 H ATOM 23722 OH2 TIP3 8140 -2.106 -5.742 -4.075 1.00 0.00 WT1 O ATOM 23723 H1 TIP3 8140 4.949 -20.986 -12.642 1.00 0.00 WT1 H ATOM 23724 H2 TIP3 8140 -4.909 0.576 -1.298 1.00 0.00 WT1 H ATOM 23725 OH2 TIP3 8141 4.508 6.061 -1.187 1.00 0.00 WT1 O ATOM 23726 H1 TIP3 8141 20.982 16.340 -6.494 1.00 0.00 WT1 H ATOM 23727 H2 TIP3 8141 -1.936 -3.501 -6.080 1.00 0.00 WT1 H ATOM 23728 OH2 TIP3 8142 -7.604 3.623 -0.336 1.00 0.00 WT1 O ATOM 23729 H1 TIP3 8142 6.085 9.308 -4.663 1.00 0.00 WT1 H ATOM 23730 H2 TIP3 8142 -3.966 -5.247 -23.289 1.00 0.00 WT1 H ATOM 23731 OH2 TIP3 8143 0.285 -3.405 2.924 1.00 0.00 WT1 O ATOM 23732 H1 TIP3 8143 15.303 3.371 8.532 1.00 0.00 WT1 H ATOM 23733 H2 TIP3 8143 -13.704 -10.726 1.042 1.00 0.00 WT1 H ATOM 23734 OH2 TIP3 8144 -1.708 2.579 -3.560 1.00 0.00 WT1 O ATOM 23735 H1 TIP3 8144 -8.756 3.124 -3.554 1.00 0.00 WT1 H ATOM 23736 H2 TIP3 8144 35.943 -2.624 -6.423 1.00 0.00 WT1 H ATOM 23737 OH2 TIP3 8145 -4.818 -5.513 4.042 1.00 0.00 WT1 O ATOM 23738 H1 TIP3 8145 9.137 6.386 1.785 1.00 0.00 WT1 H ATOM 23739 H2 TIP3 8145 -5.444 -15.798 -8.682 1.00 0.00 WT1 H ATOM 23740 OH2 TIP3 8146 -5.158 -5.807 3.799 1.00 0.00 WT1 O ATOM 23741 H1 TIP3 8146 3.486 7.255 -5.679 1.00 0.00 WT1 H ATOM 23742 H2 TIP3 8146 -9.169 4.468 11.642 1.00 0.00 WT1 H ATOM 23743 OH2 TIP3 8147 -1.085 -1.663 5.620 1.00 0.00 WT1 O ATOM 23744 H1 TIP3 8147 -6.690 4.741 -2.836 1.00 0.00 WT1 H ATOM 23745 H2 TIP3 8147 4.992 -4.937 7.221 1.00 0.00 WT1 H ATOM 23746 OH2 TIP3 8148 6.307 -6.278 2.025 1.00 0.00 WT1 O ATOM 23747 H1 TIP3 8148 1.014 -13.788 10.033 1.00 0.00 WT1 H ATOM 23748 H2 TIP3 8148 13.715 18.786 -14.348 1.00 0.00 WT1 H ATOM 23749 OH2 TIP3 8149 -0.586 1.960 -0.241 1.00 0.00 WT1 O ATOM 23750 H1 TIP3 8149 18.044 -8.835 8.084 1.00 0.00 WT1 H ATOM 23751 H2 TIP3 8149 5.000 -0.135 7.004 1.00 0.00 WT1 H ATOM 23752 OH2 TIP3 8150 -2.538 -2.361 1.915 1.00 0.00 WT1 O ATOM 23753 H1 TIP3 8150 5.249 -2.480 7.727 1.00 0.00 WT1 H ATOM 23754 H2 TIP3 8150 1.943 3.666 -7.497 1.00 0.00 WT1 H ATOM 23755 OH2 TIP3 8151 4.055 -4.819 -2.468 1.00 0.00 WT1 O ATOM 23756 H1 TIP3 8151 7.395 -5.123 12.096 1.00 0.00 WT1 H ATOM 23757 H2 TIP3 8151 13.804 4.778 -6.533 1.00 0.00 WT1 H ATOM 23758 OH2 TIP3 8152 -4.770 -7.993 -3.240 1.00 0.00 WT1 O ATOM 23759 H1 TIP3 8152 -7.361 30.586 -12.500 1.00 0.00 WT1 H ATOM 23760 H2 TIP3 8152 13.765 -16.904 13.514 1.00 0.00 WT1 H ATOM 23761 OH2 TIP3 8153 -1.515 1.360 -6.554 1.00 0.00 WT1 O ATOM 23762 H1 TIP3 8153 -7.655 -6.685 0.716 1.00 0.00 WT1 H ATOM 23763 H2 TIP3 8153 3.891 1.218 -5.714 1.00 0.00 WT1 H ATOM 23764 OH2 TIP3 8154 -3.911 -0.287 -2.479 1.00 0.00 WT1 O ATOM 23765 H1 TIP3 8154 21.611 4.385 -22.407 1.00 0.00 WT1 H ATOM 23766 H2 TIP3 8154 -3.672 -3.858 25.593 1.00 0.00 WT1 H ATOM 23767 OH2 TIP3 8155 0.847 -0.239 4.232 1.00 0.00 WT1 O ATOM 23768 H1 TIP3 8155 -9.229 -18.123 17.539 1.00 0.00 WT1 H ATOM 23769 H2 TIP3 8155 -4.909 -1.472 -0.275 1.00 0.00 WT1 H ATOM 23770 OH2 TIP3 8156 -1.819 -1.239 -1.890 1.00 0.00 WT1 O ATOM 23771 H1 TIP3 8156 6.216 19.007 -11.719 1.00 0.00 WT1 H ATOM 23772 H2 TIP3 8156 -19.247 -5.290 -15.256 1.00 0.00 WT1 H ATOM 23773 OH2 TIP3 8157 0.311 1.677 -6.186 1.00 0.00 WT1 O ATOM 23774 H1 TIP3 8157 -18.179 -4.951 -16.805 1.00 0.00 WT1 H ATOM 23775 H2 TIP3 8157 3.946 -12.848 10.545 1.00 0.00 WT1 H ATOM 23776 OH2 TIP3 8158 -0.541 -1.750 -2.269 1.00 0.00 WT1 O ATOM 23777 H1 TIP3 8158 -16.901 -22.318 -12.540 1.00 0.00 WT1 H ATOM 23778 H2 TIP3 8158 2.917 7.129 -14.389 1.00 0.00 WT1 H ATOM 23779 OH2 TIP3 8159 3.140 0.144 -0.093 1.00 0.00 WT1 O ATOM 23780 H1 TIP3 8159 4.001 -1.386 3.604 1.00 0.00 WT1 H ATOM 23781 H2 TIP3 8159 10.561 2.565 0.618 1.00 0.00 WT1 H ATOM 23782 OH2 TIP3 8160 -5.108 -4.350 -0.810 1.00 0.00 WT1 O ATOM 23783 H1 TIP3 8160 -2.321 10.602 8.737 1.00 0.00 WT1 H ATOM 23784 H2 TIP3 8160 -16.397 -2.504 -12.848 1.00 0.00 WT1 H ATOM 23785 OH2 TIP3 8162 -3.367 -1.791 -0.505 1.00 0.00 WT1 O ATOM 23786 H1 TIP3 8162 -2.322 -2.085 10.371 1.00 0.00 WT1 H ATOM 23787 H2 TIP3 8162 -3.083 -8.703 4.108 1.00 0.00 WT1 H ATOM 23788 OH2 TIP3 8163 1.032 0.538 0.914 1.00 0.00 WT1 O ATOM 23789 H1 TIP3 8163 -1.302 -6.833 -2.227 1.00 0.00 WT1 H ATOM 23790 H2 TIP3 8163 -2.169 3.381 14.065 1.00 0.00 WT1 H ATOM 23791 OH2 TIP3 8164 -0.088 -5.038 2.900 1.00 0.00 WT1 O ATOM 23792 H1 TIP3 8164 1.911 -12.681 10.971 1.00 0.00 WT1 H ATOM 23793 H2 TIP3 8164 -1.552 14.332 -18.101 1.00 0.00 WT1 H ATOM 23794 OH2 TIP3 8165 4.464 4.602 2.000 1.00 0.00 WT1 O ATOM 23795 H1 TIP3 8165 0.301 8.334 1.626 1.00 0.00 WT1 H ATOM 23796 H2 TIP3 8165 3.108 -13.981 5.810 1.00 0.00 WT1 H ATOM 23797 OH2 TIP3 8166 5.047 1.586 0.324 1.00 0.00 WT1 O ATOM 23798 H1 TIP3 8166 6.224 8.460 -4.375 1.00 0.00 WT1 H ATOM 23799 H2 TIP3 8166 -6.025 15.087 -32.363 1.00 0.00 WT1 H ATOM 23800 OH2 TIP3 8167 -0.552 -5.224 -4.141 1.00 0.00 WT1 O ATOM 23801 H1 TIP3 8167 0.754 -9.190 15.343 1.00 0.00 WT1 H ATOM 23802 H2 TIP3 8167 15.229 3.969 -9.771 1.00 0.00 WT1 H ATOM 23803 OH2 TIP3 8168 4.178 -2.424 0.698 1.00 0.00 WT1 O ATOM 23804 H1 TIP3 8168 -3.124 9.312 -4.727 1.00 0.00 WT1 H ATOM 23805 H2 TIP3 8168 9.836 -12.901 5.483 1.00 0.00 WT1 H ATOM 23806 OH2 TIP3 8169 -1.163 -0.013 -2.533 1.00 0.00 WT1 O ATOM 23807 H1 TIP3 8169 18.645 -7.313 7.446 1.00 0.00 WT1 H ATOM 23808 H2 TIP3 8169 -12.309 2.785 13.277 1.00 0.00 WT1 H ATOM 23809 OH2 TIP3 8170 5.326 2.244 2.414 1.00 0.00 WT1 O ATOM 23810 H1 TIP3 8170 27.252 -34.569 4.937 1.00 0.00 WT1 H ATOM 23811 H2 TIP3 8170 11.293 -0.352 4.631 1.00 0.00 WT1 H ATOM 23812 OH2 TIP3 8171 -2.203 3.867 -1.267 1.00 0.00 WT1 O ATOM 23813 H1 TIP3 8171 5.990 2.079 -14.066 1.00 0.00 WT1 H ATOM 23814 H2 TIP3 8171 -7.750 -15.856 -5.188 1.00 0.00 WT1 H ATOM 23815 OH2 TIP3 8172 -4.759 -0.927 6.760 1.00 0.00 WT1 O ATOM 23816 H1 TIP3 8172 17.541 -5.528 1.111 1.00 0.00 WT1 H ATOM 23817 H2 TIP3 8172 -9.783 -16.308 18.419 1.00 0.00 WT1 H ATOM 23818 OH2 TIP3 8173 -3.827 -2.769 3.226 1.00 0.00 WT1 O ATOM 23819 H1 TIP3 8173 7.413 -5.498 0.142 1.00 0.00 WT1 H ATOM 23820 H2 TIP3 8173 -12.903 8.495 -5.268 1.00 0.00 WT1 H ATOM 23821 OH2 TIP3 8174 0.665 0.997 -4.345 1.00 0.00 WT1 O ATOM 23822 H1 TIP3 8174 -4.804 -14.751 -0.374 1.00 0.00 WT1 H ATOM 23823 H2 TIP3 8174 22.140 -11.695 3.913 1.00 0.00 WT1 H ATOM 23824 OH2 TIP3 8175 1.429 -3.377 8.225 1.00 0.00 WT1 O ATOM 23825 H1 TIP3 8175 25.555 12.899 17.686 1.00 0.00 WT1 H ATOM 23826 H2 TIP3 8175 -4.771 13.884 20.954 1.00 0.00 WT1 H ATOM 23827 OH2 TIP3 8176 2.519 3.733 5.542 1.00 0.00 WT1 O ATOM 23828 H1 TIP3 8176 18.487 21.400 -5.206 1.00 0.00 WT1 H ATOM 23829 H2 TIP3 8176 1.889 -9.326 6.180 1.00 0.00 WT1 H ATOM 23830 OH2 TIP3 8177 -5.397 0.596 -1.478 1.00 0.00 WT1 O ATOM 23831 H1 TIP3 8177 -2.126 -2.359 -7.732 1.00 0.00 WT1 H ATOM 23832 H2 TIP3 8177 10.949 -1.958 -7.528 1.00 0.00 WT1 H ATOM 23833 OH2 TIP3 8178 2.133 4.738 2.449 1.00 0.00 WT1 O ATOM 23834 H1 TIP3 8178 15.964 -8.302 3.431 1.00 0.00 WT1 H ATOM 23835 H2 TIP3 8178 -13.270 18.465 1.998 1.00 0.00 WT1 H ATOM 23836 OH2 TIP3 8179 2.166 2.923 8.520 1.00 0.00 WT1 O ATOM 23837 H1 TIP3 8179 3.427 5.357 6.437 1.00 0.00 WT1 H ATOM 23838 H2 TIP3 8179 -3.993 -2.447 15.547 1.00 0.00 WT1 H ATOM 23839 OH2 TIP3 8180 -4.392 3.198 3.051 1.00 0.00 WT1 O ATOM 23840 H1 TIP3 8180 -1.990 -1.565 -3.631 1.00 0.00 WT1 H ATOM 23841 H2 TIP3 8180 -5.157 6.278 6.017 1.00 0.00 WT1 H ATOM 23842 OH2 TIP3 8181 -2.623 1.206 0.303 1.00 0.00 WT1 O ATOM 23843 H1 TIP3 8181 -38.225 -21.345 23.650 1.00 0.00 WT1 H ATOM 23844 H2 TIP3 8181 -0.155 -5.912 7.007 1.00 0.00 WT1 H ATOM 23845 OH2 TIP3 8182 -3.542 5.465 -2.164 1.00 0.00 WT1 O ATOM 23846 H1 TIP3 8182 -4.883 5.890 -13.073 1.00 0.00 WT1 H ATOM 23847 H2 TIP3 8182 -2.402 5.361 11.151 1.00 0.00 WT1 H ATOM 23848 OH2 TIP3 8183 -2.212 1.843 1.522 1.00 0.00 WT1 O ATOM 23849 H1 TIP3 8183 -3.490 10.146 3.750 1.00 0.00 WT1 H ATOM 23850 H2 TIP3 8183 1.862 -7.860 -10.338 1.00 0.00 WT1 H ATOM 23851 OH2 TIP3 8184 2.162 1.054 1.981 1.00 0.00 WT1 O ATOM 23852 H1 TIP3 8184 -40.102 0.855 3.593 1.00 0.00 WT1 H ATOM 23853 H2 TIP3 8184 -19.863 -2.242 6.007 1.00 0.00 WT1 H ATOM 23854 OH2 TIP3 8185 -1.136 0.571 0.326 1.00 0.00 WT1 O ATOM 23855 H1 TIP3 8185 -5.119 -0.175 -8.953 1.00 0.00 WT1 H ATOM 23856 H2 TIP3 8185 -1.777 16.513 7.004 1.00 0.00 WT1 H ATOM 23857 OH2 TIP3 8186 -2.443 -5.603 1.938 1.00 0.00 WT1 O ATOM 23858 H1 TIP3 8186 15.937 -7.640 18.924 1.00 0.00 WT1 H ATOM 23859 H2 TIP3 8186 16.018 -9.147 9.513 1.00 0.00 WT1 H ATOM 23860 OH2 TIP3 8187 -6.072 -3.551 2.860 1.00 0.00 WT1 O ATOM 23861 H1 TIP3 8187 -30.453 -6.732 -17.014 1.00 0.00 WT1 H ATOM 23862 H2 TIP3 8187 -2.926 -3.493 5.282 1.00 0.00 WT1 H ATOM 23863 OH2 TIP3 8188 2.497 -10.359 -2.740 1.00 0.00 WT1 O ATOM 23864 H1 TIP3 8188 -1.810 -5.238 14.194 1.00 0.00 WT1 H ATOM 23865 H2 TIP3 8188 -7.494 8.981 16.435 1.00 0.00 WT1 H ATOM 23866 OH2 TIP3 8189 -5.313 0.802 3.901 1.00 0.00 WT1 O ATOM 23867 H1 TIP3 8189 -23.015 9.435 12.640 1.00 0.00 WT1 H ATOM 23868 H2 TIP3 8189 -0.014 8.864 -4.378 1.00 0.00 WT1 H ATOM 23869 OH2 TIP3 8190 -1.947 1.863 2.945 1.00 0.00 WT1 O ATOM 23870 H1 TIP3 8190 3.499 0.670 7.186 1.00 0.00 WT1 H ATOM 23871 H2 TIP3 8190 -4.395 -0.192 4.324 1.00 0.00 WT1 H ATOM 23872 OH2 TIP3 8192 2.819 5.934 4.550 1.00 0.00 WT1 O ATOM 23873 H1 TIP3 8192 -0.574 12.716 -1.193 1.00 0.00 WT1 H ATOM 23874 H2 TIP3 8192 0.753 6.388 -11.695 1.00 0.00 WT1 H ATOM 23875 OH2 TIP3 8193 1.803 0.533 -3.652 1.00 0.00 WT1 O ATOM 23876 H1 TIP3 8193 0.941 1.577 -2.678 1.00 0.00 WT1 H ATOM 23877 H2 TIP3 8193 -3.958 9.146 -8.362 1.00 0.00 WT1 H ATOM 23878 OH2 TIP3 8194 -4.042 0.299 -4.653 1.00 0.00 WT1 O ATOM 23879 H1 TIP3 8194 -2.641 15.958 -21.853 1.00 0.00 WT1 H ATOM 23880 H2 TIP3 8194 -4.459 -20.227 16.806 1.00 0.00 WT1 H ATOM 23881 OH2 TIP3 8195 -4.807 -0.365 -4.451 1.00 0.00 WT1 O ATOM 23882 H1 TIP3 8195 -12.744 8.718 -3.969 1.00 0.00 WT1 H ATOM 23883 H2 TIP3 8195 -30.165 21.358 5.960 1.00 0.00 WT1 H ATOM 23884 OH2 TIP3 8196 3.632 3.552 1.463 1.00 0.00 WT1 O ATOM 23885 H1 TIP3 8196 6.830 -0.142 2.391 1.00 0.00 WT1 H ATOM 23886 H2 TIP3 8196 -0.424 2.319 1.956 1.00 0.00 WT1 H ATOM 23887 OH2 TIP3 8197 -3.238 -4.838 1.825 1.00 0.00 WT1 O ATOM 23888 H1 TIP3 8197 12.029 18.596 6.326 1.00 0.00 WT1 H ATOM 23889 H2 TIP3 8197 0.653 -7.602 8.439 1.00 0.00 WT1 H ATOM 23890 OH2 TIP3 8198 5.207 -5.011 -6.755 1.00 0.00 WT1 O ATOM 23891 H1 TIP3 8198 19.424 -22.677 -0.067 1.00 0.00 WT1 H ATOM 23892 H2 TIP3 8198 -14.662 -16.206 -13.955 1.00 0.00 WT1 H ATOM 23893 OH2 TIP3 8199 -3.723 -3.491 0.022 1.00 0.00 WT1 O ATOM 23894 H1 TIP3 8199 -9.332 18.705 -20.938 1.00 0.00 WT1 H ATOM 23895 H2 TIP3 8199 -37.299 -5.460 9.982 1.00 0.00 WT1 H ATOM 23896 OH2 TIP3 8200 5.062 6.303 -3.905 1.00 0.00 WT1 O ATOM 23897 H1 TIP3 8200 4.655 5.069 -3.802 1.00 0.00 WT1 H ATOM 23898 H2 TIP3 8200 4.766 -6.803 -3.604 1.00 0.00 WT1 H ATOM 23899 OH2 TIP3 8201 -5.666 3.648 8.071 1.00 0.00 WT1 O ATOM 23900 H1 TIP3 8201 -12.142 2.756 -12.137 1.00 0.00 WT1 H ATOM 23901 H2 TIP3 8201 2.010 -3.774 -8.673 1.00 0.00 WT1 H ATOM 23902 OH2 TIP3 8202 9.283 -0.580 -0.711 1.00 0.00 WT1 O ATOM 23903 H1 TIP3 8202 -10.803 -6.262 -9.698 1.00 0.00 WT1 H ATOM 23904 H2 TIP3 8202 -3.808 31.548 -12.873 1.00 0.00 WT1 H ATOM 23905 OH2 TIP3 8203 3.305 -5.634 2.628 1.00 0.00 WT1 O ATOM 23906 H1 TIP3 8203 18.650 2.515 18.629 1.00 0.00 WT1 H ATOM 23907 H2 TIP3 8203 26.658 -1.225 20.156 1.00 0.00 WT1 H ATOM 23908 OH2 TIP3 8204 7.669 -1.944 -2.391 1.00 0.00 WT1 O ATOM 23909 H1 TIP3 8204 -2.999 -8.192 -9.497 1.00 0.00 WT1 H ATOM 23910 H2 TIP3 8204 -3.539 -16.160 5.523 1.00 0.00 WT1 H ATOM 23911 OH2 TIP3 8205 -5.760 -1.271 5.181 1.00 0.00 WT1 O ATOM 23912 H1 TIP3 8205 -4.006 0.751 0.853 1.00 0.00 WT1 H ATOM 23913 H2 TIP3 8205 -5.420 3.378 -6.119 1.00 0.00 WT1 H ATOM 23914 OH2 TIP3 8206 0.012 -1.592 -3.519 1.00 0.00 WT1 O ATOM 23915 H1 TIP3 8206 6.577 10.669 0.828 1.00 0.00 WT1 H ATOM 23916 H2 TIP3 8206 15.998 41.402 13.524 1.00 0.00 WT1 H ATOM 23917 OH2 TIP3 8207 5.122 -4.864 6.905 1.00 0.00 WT1 O ATOM 23918 H1 TIP3 8207 16.079 -19.306 10.910 1.00 0.00 WT1 H ATOM 23919 H2 TIP3 8207 -13.408 9.147 27.459 1.00 0.00 WT1 H ATOM 23920 OH2 TIP3 8208 -0.089 2.348 -8.074 1.00 0.00 WT1 O ATOM 23921 H1 TIP3 8208 6.664 21.314 12.314 1.00 0.00 WT1 H ATOM 23922 H2 TIP3 8208 -17.225 -8.837 -13.181 1.00 0.00 WT1 H ATOM 23923 OH2 TIP3 8209 1.658 0.308 -0.971 1.00 0.00 WT1 O ATOM 23924 H1 TIP3 8209 12.163 4.336 12.847 1.00 0.00 WT1 H ATOM 23925 H2 TIP3 8209 12.949 -9.031 -12.383 1.00 0.00 WT1 H ATOM 23926 OH2 TIP3 8210 3.114 -2.913 -0.139 1.00 0.00 WT1 O ATOM 23927 H1 TIP3 8210 -10.389 10.229 11.097 1.00 0.00 WT1 H ATOM 23928 H2 TIP3 8210 18.012 -3.913 10.558 1.00 0.00 WT1 H ATOM 23929 OH2 TIP3 8212 -5.045 5.726 3.729 1.00 0.00 WT1 O ATOM 23930 H1 TIP3 8212 -15.182 4.077 16.955 1.00 0.00 WT1 H ATOM 23931 H2 TIP3 8212 23.036 12.739 -8.572 1.00 0.00 WT1 H ATOM 23932 OH2 TIP3 8215 -0.130 1.054 -0.017 1.00 0.00 WT1 O ATOM 23933 H1 TIP3 8215 8.673 13.305 0.591 1.00 0.00 WT1 H ATOM 23934 H2 TIP3 8215 -4.033 0.008 1.586 1.00 0.00 WT1 H ATOM 23935 OH2 TIP3 8216 -8.235 2.730 -5.768 1.00 0.00 WT1 O ATOM 23936 H1 TIP3 8216 -1.083 0.210 -4.960 1.00 0.00 WT1 H ATOM 23937 H2 TIP3 8216 -5.743 1.885 -7.755 1.00 0.00 WT1 H ATOM 23938 OH2 TIP3 8217 -4.929 3.173 0.295 1.00 0.00 WT1 O ATOM 23939 H1 TIP3 8217 -10.914 20.208 -0.029 1.00 0.00 WT1 H ATOM 23940 H2 TIP3 8217 18.355 -2.865 -10.117 1.00 0.00 WT1 H ATOM 23941 OH2 TIP3 8218 -8.894 0.800 0.262 1.00 0.00 WT1 O ATOM 23942 H1 TIP3 8218 -8.593 -3.581 0.871 1.00 0.00 WT1 H ATOM 23943 H2 TIP3 8218 -13.138 -2.131 -9.214 1.00 0.00 WT1 H ATOM 23944 OH2 TIP3 8219 6.434 -0.154 1.020 1.00 0.00 WT1 O ATOM 23945 H1 TIP3 8219 -14.166 -9.111 -4.589 1.00 0.00 WT1 H ATOM 23946 H2 TIP3 8219 24.890 -10.336 -20.209 1.00 0.00 WT1 H ATOM 23947 OH2 TIP3 8220 -8.203 -0.535 -2.465 1.00 0.00 WT1 O ATOM 23948 H1 TIP3 8220 -11.310 11.986 -1.707 1.00 0.00 WT1 H ATOM 23949 H2 TIP3 8220 -4.713 11.831 1.650 1.00 0.00 WT1 H ATOM 23950 OH2 TIP3 8221 3.108 4.571 -3.129 1.00 0.00 WT1 O ATOM 23951 H1 TIP3 8221 -0.422 -3.876 -7.291 1.00 0.00 WT1 H ATOM 23952 H2 TIP3 8221 -8.084 -0.845 -8.512 1.00 0.00 WT1 H ATOM 23953 OH2 TIP3 8222 2.657 1.589 1.526 1.00 0.00 WT1 O ATOM 23954 H1 TIP3 8222 13.705 -24.669 8.319 1.00 0.00 WT1 H ATOM 23955 H2 TIP3 8222 -8.543 4.206 8.614 1.00 0.00 WT1 H ATOM 23956 OH2 TIP3 8223 -0.192 4.270 3.884 1.00 0.00 WT1 O ATOM 23957 H1 TIP3 8223 13.124 2.130 -23.164 1.00 0.00 WT1 H ATOM 23958 H2 TIP3 8223 13.170 -2.063 -8.839 1.00 0.00 WT1 H ATOM 23959 OH2 TIP3 8224 3.379 -7.080 5.742 1.00 0.00 WT1 O ATOM 23960 H1 TIP3 8224 -0.423 -3.349 -8.105 1.00 0.00 WT1 H ATOM 23961 H2 TIP3 8224 6.784 -6.567 -4.632 1.00 0.00 WT1 H ATOM 23962 OH2 TIP3 8225 -1.925 -2.220 3.546 1.00 0.00 WT1 O ATOM 23963 H1 TIP3 8225 2.516 1.009 -1.201 1.00 0.00 WT1 H ATOM 23964 H2 TIP3 8225 -6.696 -4.427 0.026 1.00 0.00 WT1 H ATOM 23965 OH2 TIP3 8226 -1.418 1.825 0.944 1.00 0.00 WT1 O ATOM 23966 H1 TIP3 8226 2.577 -9.968 12.642 1.00 0.00 WT1 H ATOM 23967 H2 TIP3 8226 -10.114 12.280 -5.073 1.00 0.00 WT1 H ATOM 23968 OH2 TIP3 8227 1.073 2.187 -1.805 1.00 0.00 WT1 O ATOM 23969 H1 TIP3 8227 3.530 3.634 -1.631 1.00 0.00 WT1 H ATOM 23970 H2 TIP3 8227 12.878 11.553 -4.685 1.00 0.00 WT1 H ATOM 23971 OH2 TIP3 8228 -5.434 -1.038 0.530 1.00 0.00 WT1 O ATOM 23972 H1 TIP3 8228 -7.657 -16.808 15.428 1.00 0.00 WT1 H ATOM 23973 H2 TIP3 8228 -4.272 4.289 -4.796 1.00 0.00 WT1 H ATOM 23974 OH2 TIP3 8229 9.027 6.694 8.969 1.00 0.00 WT1 O ATOM 23975 H1 TIP3 8229 11.524 13.286 0.980 1.00 0.00 WT1 H ATOM 23976 H2 TIP3 8229 20.723 -7.211 -8.724 1.00 0.00 WT1 H ATOM 23977 OH2 TIP3 8230 4.193 -1.093 -4.031 1.00 0.00 WT1 O ATOM 23978 H1 TIP3 8230 -6.820 6.823 -19.673 1.00 0.00 WT1 H ATOM 23979 H2 TIP3 8230 2.697 3.050 17.019 1.00 0.00 WT1 H ATOM 23980 OH2 TIP3 8231 3.279 -5.489 -5.948 1.00 0.00 WT1 O ATOM 23981 H1 TIP3 8231 2.305 25.820 -10.295 1.00 0.00 WT1 H ATOM 23982 H2 TIP3 8231 -17.103 -19.584 -31.522 1.00 0.00 WT1 H ATOM 23983 OH2 TIP3 8232 2.189 0.692 -0.354 1.00 0.00 WT1 O ATOM 23984 H1 TIP3 8232 -1.963 23.758 3.572 1.00 0.00 WT1 H ATOM 23985 H2 TIP3 8232 -15.067 26.954 -2.795 1.00 0.00 WT1 H ATOM 23986 OH2 TIP3 8233 -0.074 2.005 4.834 1.00 0.00 WT1 O ATOM 23987 H1 TIP3 8233 6.155 -1.134 -2.281 1.00 0.00 WT1 H ATOM 23988 H2 TIP3 8233 4.795 -15.913 -0.452 1.00 0.00 WT1 H ATOM 23989 OH2 TIP3 8234 2.993 0.915 1.663 1.00 0.00 WT1 O ATOM 23990 H1 TIP3 8234 2.592 9.790 4.297 1.00 0.00 WT1 H ATOM 23991 H2 TIP3 8234 -11.742 10.440 23.295 1.00 0.00 WT1 H ATOM 23992 OH2 TIP3 8235 5.411 -3.979 -0.180 1.00 0.00 WT1 O ATOM 23993 H1 TIP3 8235 -4.681 3.874 1.408 1.00 0.00 WT1 H ATOM 23994 H2 TIP3 8235 -24.630 7.898 -0.589 1.00 0.00 WT1 H ATOM 23995 OH2 TIP3 8236 3.016 -6.375 5.326 1.00 0.00 WT1 O ATOM 23996 H1 TIP3 8236 4.068 -17.544 -0.035 1.00 0.00 WT1 H ATOM 23997 H2 TIP3 8236 -0.733 2.030 -10.980 1.00 0.00 WT1 H ATOM 23998 OH2 TIP3 8237 -5.143 2.450 3.502 1.00 0.00 WT1 O ATOM 23999 H1 TIP3 8237 3.245 7.121 -5.567 1.00 0.00 WT1 H ATOM 24000 H2 TIP3 8237 -0.215 -0.484 12.892 1.00 0.00 WT1 H ATOM 24001 OH2 TIP3 8238 -0.435 1.270 -1.066 1.00 0.00 WT1 O ATOM 24002 H1 TIP3 8238 19.286 -1.911 2.385 1.00 0.00 WT1 H ATOM 24003 H2 TIP3 8238 -8.687 -12.764 -4.274 1.00 0.00 WT1 H ATOM 24004 OH2 TIP3 8239 0.108 0.510 -5.065 1.00 0.00 WT1 O ATOM 24005 H1 TIP3 8239 31.665 -44.798 -21.069 1.00 0.00 WT1 H ATOM 24006 H2 TIP3 8239 2.279 -2.388 -4.083 1.00 0.00 WT1 H ATOM 24007 OH2 TIP3 8240 -4.343 -4.924 1.350 1.00 0.00 WT1 O ATOM 24008 H1 TIP3 8240 14.518 -2.576 -3.045 1.00 0.00 WT1 H ATOM 24009 H2 TIP3 8240 -18.563 -13.670 22.255 1.00 0.00 WT1 H ATOM 24010 OH2 TIP3 8241 0.642 -0.723 -1.014 1.00 0.00 WT1 O ATOM 24011 H1 TIP3 8241 -19.930 -18.387 16.188 1.00 0.00 WT1 H ATOM 24012 H2 TIP3 8241 0.466 -0.405 2.407 1.00 0.00 WT1 H ATOM 24013 OH2 TIP3 8242 5.827 5.156 -0.415 1.00 0.00 WT1 O ATOM 24014 H1 TIP3 8242 15.772 1.483 6.122 1.00 0.00 WT1 H ATOM 24015 H2 TIP3 8242 1.429 -5.983 16.137 1.00 0.00 WT1 H ATOM 24016 OH2 TIP3 8244 -2.004 3.061 6.732 1.00 0.00 WT1 O ATOM 24017 H1 TIP3 8244 -17.270 -10.050 16.964 1.00 0.00 WT1 H ATOM 24018 H2 TIP3 8244 2.238 5.969 -0.187 1.00 0.00 WT1 H ATOM 24019 OH2 TIP3 8245 1.840 0.509 5.660 1.00 0.00 WT1 O ATOM 24020 H1 TIP3 8245 -0.459 5.415 11.473 1.00 0.00 WT1 H ATOM 24021 H2 TIP3 8245 2.469 4.991 0.497 1.00 0.00 WT1 H ATOM 24022 OH2 TIP3 8246 8.316 5.168 -5.033 1.00 0.00 WT1 O ATOM 24023 H1 TIP3 8246 0.486 11.041 4.092 1.00 0.00 WT1 H ATOM 24024 H2 TIP3 8246 4.606 -5.244 -15.248 1.00 0.00 WT1 H ATOM 24025 OH2 TIP3 8248 -1.048 -6.448 2.322 1.00 0.00 WT1 O ATOM 24026 H1 TIP3 8248 0.956 -8.982 6.410 1.00 0.00 WT1 H ATOM 24027 H2 TIP3 8248 5.200 -19.720 -1.525 1.00 0.00 WT1 H ATOM 24028 OH2 TIP3 8249 3.232 -4.030 1.469 1.00 0.00 WT1 O ATOM 24029 H1 TIP3 8249 -1.167 -0.537 2.011 1.00 0.00 WT1 H ATOM 24030 H2 TIP3 8249 14.426 -2.866 -1.762 1.00 0.00 WT1 H ATOM 24031 OH2 TIP3 8250 -2.301 -1.036 -10.537 1.00 0.00 WT1 O ATOM 24032 H1 TIP3 8250 7.998 22.795 -2.524 1.00 0.00 WT1 H ATOM 24033 H2 TIP3 8250 -1.190 7.086 -5.368 1.00 0.00 WT1 H ATOM 24034 OH2 TIP3 8251 4.664 -4.465 2.250 1.00 0.00 WT1 O ATOM 24035 H1 TIP3 8251 -10.372 -5.337 6.976 1.00 0.00 WT1 H ATOM 24036 H2 TIP3 8251 -4.397 -2.132 -2.255 1.00 0.00 WT1 H ATOM 24037 OH2 TIP3 8252 1.270 4.333 -0.055 1.00 0.00 WT1 O ATOM 24038 H1 TIP3 8252 25.294 24.969 17.022 1.00 0.00 WT1 H ATOM 24039 H2 TIP3 8252 -27.192 -17.823 -19.869 1.00 0.00 WT1 H ATOM 24040 OH2 TIP3 8253 -6.862 5.648 -4.603 1.00 0.00 WT1 O ATOM 24041 H1 TIP3 8253 3.073 31.854 -14.212 1.00 0.00 WT1 H ATOM 24042 H2 TIP3 8253 -16.746 14.924 11.019 1.00 0.00 WT1 H ATOM 24043 OH2 TIP3 8254 -4.597 -0.496 1.532 1.00 0.00 WT1 O ATOM 24044 H1 TIP3 8254 6.161 35.201 -3.009 1.00 0.00 WT1 H ATOM 24045 H2 TIP3 8254 -6.980 -12.727 4.628 1.00 0.00 WT1 H ATOM 24046 OH2 TIP3 8255 -0.595 4.013 7.705 1.00 0.00 WT1 O ATOM 24047 H1 TIP3 8255 -0.982 2.501 6.372 1.00 0.00 WT1 H ATOM 24048 H2 TIP3 8255 -2.784 6.436 13.624 1.00 0.00 WT1 H ATOM 24049 OH2 TIP3 8256 0.627 2.887 -2.507 1.00 0.00 WT1 O ATOM 24050 H1 TIP3 8256 3.749 -9.319 -7.004 1.00 0.00 WT1 H ATOM 24051 H2 TIP3 8256 10.469 10.947 -9.487 1.00 0.00 WT1 H ATOM 24052 OH2 TIP3 8257 -1.671 0.335 -0.897 1.00 0.00 WT1 O ATOM 24053 H1 TIP3 8257 9.373 8.434 -10.692 1.00 0.00 WT1 H ATOM 24054 H2 TIP3 8257 -12.957 -9.226 20.060 1.00 0.00 WT1 H ATOM 24055 OH2 TIP3 8258 -2.241 2.551 1.772 1.00 0.00 WT1 O ATOM 24056 H1 TIP3 8258 19.359 9.996 -16.282 1.00 0.00 WT1 H ATOM 24057 H2 TIP3 8258 -21.765 3.719 -12.071 1.00 0.00 WT1 H ATOM 24058 OH2 TIP3 8259 0.252 -3.441 0.543 1.00 0.00 WT1 O ATOM 24059 H1 TIP3 8259 0.914 -3.488 0.673 1.00 0.00 WT1 H ATOM 24060 H2 TIP3 8259 -1.028 11.209 5.795 1.00 0.00 WT1 H ATOM 24061 OH2 TIP3 8260 1.617 0.956 0.716 1.00 0.00 WT1 O ATOM 24062 H1 TIP3 8260 -3.000 -4.119 0.644 1.00 0.00 WT1 H ATOM 24063 H2 TIP3 8260 -11.228 -16.218 -0.236 1.00 0.00 WT1 H ATOM 24064 OH2 TIP3 8261 -0.562 -4.259 -2.226 1.00 0.00 WT1 O ATOM 24065 H1 TIP3 8261 2.573 8.132 13.488 1.00 0.00 WT1 H ATOM 24066 H2 TIP3 8261 -3.256 -4.503 2.237 1.00 0.00 WT1 H ATOM 24067 OH2 TIP3 8262 5.278 0.499 2.136 1.00 0.00 WT1 O ATOM 24068 H1 TIP3 8262 15.740 -19.059 15.403 1.00 0.00 WT1 H ATOM 24069 H2 TIP3 8262 -2.736 2.856 -11.927 1.00 0.00 WT1 H ATOM 24070 OH2 TIP3 8263 -2.248 4.098 3.280 1.00 0.00 WT1 O ATOM 24071 H1 TIP3 8263 -0.339 -2.353 -11.275 1.00 0.00 WT1 H ATOM 24072 H2 TIP3 8263 11.334 -17.293 2.244 1.00 0.00 WT1 H ATOM 24073 OH2 TIP3 8264 -3.447 -2.030 4.085 1.00 0.00 WT1 O ATOM 24074 H1 TIP3 8264 -8.648 4.664 2.700 1.00 0.00 WT1 H ATOM 24075 H2 TIP3 8264 22.522 -13.869 -0.997 1.00 0.00 WT1 H ATOM 24076 OH2 TIP3 8265 -3.240 2.630 0.382 1.00 0.00 WT1 O ATOM 24077 H1 TIP3 8265 -9.094 4.892 -20.178 1.00 0.00 WT1 H ATOM 24078 H2 TIP3 8265 6.259 -16.380 24.196 1.00 0.00 WT1 H ATOM 24079 OH2 TIP3 8266 1.234 2.345 -2.593 1.00 0.00 WT1 O ATOM 24080 H1 TIP3 8266 -8.080 -12.246 -21.767 1.00 0.00 WT1 H ATOM 24081 H2 TIP3 8266 9.240 7.773 -5.962 1.00 0.00 WT1 H ATOM 24082 OH2 TIP3 8267 -2.369 1.391 2.439 1.00 0.00 WT1 O ATOM 24083 H1 TIP3 8267 -4.992 -2.203 9.695 1.00 0.00 WT1 H ATOM 24084 H2 TIP3 8267 -9.565 0.985 -2.981 1.00 0.00 WT1 H ATOM 24085 OH2 TIP3 8268 -4.961 -3.454 5.885 1.00 0.00 WT1 O ATOM 24086 H1 TIP3 8268 -7.786 -5.108 -17.702 1.00 0.00 WT1 H ATOM 24087 H2 TIP3 8268 -0.254 19.323 7.193 1.00 0.00 WT1 H ATOM 24088 OH2 TIP3 8269 -2.287 -2.912 1.340 1.00 0.00 WT1 O ATOM 24089 H1 TIP3 8269 -15.376 -7.763 7.418 1.00 0.00 WT1 H ATOM 24090 H2 TIP3 8269 7.517 3.260 1.184 1.00 0.00 WT1 H ATOM 24091 OH2 TIP3 8271 1.396 -5.494 1.172 1.00 0.00 WT1 O ATOM 24092 H1 TIP3 8271 -18.072 -20.048 12.504 1.00 0.00 WT1 H ATOM 24093 H2 TIP3 8271 -17.547 -10.968 9.382 1.00 0.00 WT1 H ATOM 24094 OH2 TIP3 8272 5.596 -0.380 2.249 1.00 0.00 WT1 O ATOM 24095 H1 TIP3 8272 -7.495 19.295 -3.595 1.00 0.00 WT1 H ATOM 24096 H2 TIP3 8272 12.861 -2.111 -1.277 1.00 0.00 WT1 H ATOM 24097 OH2 TIP3 8273 0.380 -2.517 2.821 1.00 0.00 WT1 O ATOM 24098 H1 TIP3 8273 0.086 -5.329 7.054 1.00 0.00 WT1 H ATOM 24099 H2 TIP3 8273 1.800 3.225 -3.868 1.00 0.00 WT1 H ATOM 24100 OH2 TIP3 8274 -3.653 2.860 -5.794 1.00 0.00 WT1 O ATOM 24101 H1 TIP3 8274 -7.273 5.986 -10.455 1.00 0.00 WT1 H ATOM 24102 H2 TIP3 8274 -9.683 5.537 -3.647 1.00 0.00 WT1 H ATOM 24103 OH2 TIP3 8275 4.538 0.805 0.712 1.00 0.00 WT1 O ATOM 24104 H1 TIP3 8275 -3.426 6.396 3.984 1.00 0.00 WT1 H ATOM 24105 H2 TIP3 8275 10.530 -3.648 1.199 1.00 0.00 WT1 H ATOM 24106 OH2 TIP3 8276 -3.190 0.793 -1.192 1.00 0.00 WT1 O ATOM 24107 H1 TIP3 8276 -1.258 -7.267 1.448 1.00 0.00 WT1 H ATOM 24108 H2 TIP3 8276 -1.520 -5.765 -7.066 1.00 0.00 WT1 H ATOM 24109 OH2 TIP3 8277 -1.513 1.548 4.194 1.00 0.00 WT1 O ATOM 24110 H1 TIP3 8277 -8.522 1.426 -5.078 1.00 0.00 WT1 H ATOM 24111 H2 TIP3 8277 5.821 0.177 13.023 1.00 0.00 WT1 H ATOM 24112 OH2 TIP3 8278 -5.517 2.259 1.664 1.00 0.00 WT1 O ATOM 24113 H1 TIP3 8278 2.664 2.511 -2.612 1.00 0.00 WT1 H ATOM 24114 H2 TIP3 8278 -10.767 -0.269 4.710 1.00 0.00 WT1 H ATOM 24115 OH2 TIP3 8279 -2.740 0.673 2.080 1.00 0.00 WT1 O ATOM 24116 H1 TIP3 8279 -14.776 10.901 -1.185 1.00 0.00 WT1 H ATOM 24117 H2 TIP3 8279 -8.161 2.828 -2.228 1.00 0.00 WT1 H ATOM 24118 OH2 TIP3 8280 -0.555 0.968 4.696 1.00 0.00 WT1 O ATOM 24119 H1 TIP3 8280 -10.363 -20.805 7.824 1.00 0.00 WT1 H ATOM 24120 H2 TIP3 8280 1.844 11.074 27.322 1.00 0.00 WT1 H ATOM 24121 OH2 TIP3 8281 -0.215 -5.577 -6.297 1.00 0.00 WT1 O ATOM 24122 H1 TIP3 8281 -0.322 0.943 -4.544 1.00 0.00 WT1 H ATOM 24123 H2 TIP3 8281 -2.574 -8.204 -1.180 1.00 0.00 WT1 H ATOM 24124 OH2 TIP3 8282 -6.142 -4.181 2.337 1.00 0.00 WT1 O ATOM 24125 H1 TIP3 8282 -4.135 -0.720 -3.637 1.00 0.00 WT1 H ATOM 24126 H2 TIP3 8282 -1.437 2.459 15.912 1.00 0.00 WT1 H ATOM 24127 OH2 TIP3 8283 3.447 -0.855 -1.618 1.00 0.00 WT1 O ATOM 24128 H1 TIP3 8283 19.474 -9.991 2.466 1.00 0.00 WT1 H ATOM 24129 H2 TIP3 8283 -11.381 3.866 -5.088 1.00 0.00 WT1 H ATOM 24130 OH2 TIP3 8285 -1.393 -1.382 2.335 1.00 0.00 WT1 O ATOM 24131 H1 TIP3 8285 -8.362 2.350 -3.727 1.00 0.00 WT1 H ATOM 24132 H2 TIP3 8285 0.756 1.104 -8.618 1.00 0.00 WT1 H ATOM 24133 OH2 TIP3 8286 -0.297 5.073 -1.799 1.00 0.00 WT1 O ATOM 24134 H1 TIP3 8286 10.173 30.321 10.098 1.00 0.00 WT1 H ATOM 24135 H2 TIP3 8286 -23.774 -4.475 3.989 1.00 0.00 WT1 H ATOM 24136 OH2 TIP3 8287 3.439 7.517 -3.305 1.00 0.00 WT1 O ATOM 24137 H1 TIP3 8287 -2.893 20.698 20.730 1.00 0.00 WT1 H ATOM 24138 H2 TIP3 8287 -19.336 -0.668 -0.654 1.00 0.00 WT1 H ATOM 24139 OH2 TIP3 8288 -5.939 -2.420 -4.881 1.00 0.00 WT1 O ATOM 24140 H1 TIP3 8288 -4.398 3.019 19.127 1.00 0.00 WT1 H ATOM 24141 H2 TIP3 8288 17.887 -4.367 -9.000 1.00 0.00 WT1 H ATOM 24142 OH2 TIP3 8289 9.092 -1.488 -3.807 1.00 0.00 WT1 O ATOM 24143 H1 TIP3 8289 16.620 -17.444 5.615 1.00 0.00 WT1 H ATOM 24144 H2 TIP3 8289 5.143 5.438 10.118 1.00 0.00 WT1 H ATOM 24145 OH2 TIP3 8290 5.391 -5.748 0.236 1.00 0.00 WT1 O ATOM 24146 H1 TIP3 8290 22.350 2.579 -15.306 1.00 0.00 WT1 H ATOM 24147 H2 TIP3 8290 13.259 -2.862 2.030 1.00 0.00 WT1 H ATOM 24148 OH2 TIP3 8291 7.391 5.930 -7.933 1.00 0.00 WT1 O ATOM 24149 H1 TIP3 8291 11.931 10.882 2.200 1.00 0.00 WT1 H ATOM 24150 H2 TIP3 8291 -6.507 -6.008 1.549 1.00 0.00 WT1 H ATOM 24151 OH2 TIP3 8292 -5.277 8.363 5.896 1.00 0.00 WT1 O ATOM 24152 H1 TIP3 8292 -6.782 17.586 -12.353 1.00 0.00 WT1 H ATOM 24153 H2 TIP3 8292 -1.961 -7.480 -0.119 1.00 0.00 WT1 H ATOM 24154 OH2 TIP3 8293 -3.129 3.275 0.130 1.00 0.00 WT1 O ATOM 24155 H1 TIP3 8293 -9.500 -5.217 7.164 1.00 0.00 WT1 H ATOM 24156 H2 TIP3 8293 -1.560 -7.658 2.310 1.00 0.00 WT1 H ATOM 24157 OH2 TIP3 8294 -0.117 -0.014 -0.622 1.00 0.00 WT1 O ATOM 24158 H1 TIP3 8294 -28.837 9.530 5.519 1.00 0.00 WT1 H ATOM 24159 H2 TIP3 8294 -3.282 -0.567 -17.155 1.00 0.00 WT1 H ATOM 24160 OH2 TIP3 8295 -3.368 -1.501 0.363 1.00 0.00 WT1 O ATOM 24161 H1 TIP3 8295 -4.847 16.376 3.350 1.00 0.00 WT1 H ATOM 24162 H2 TIP3 8295 -3.475 -2.427 15.164 1.00 0.00 WT1 H ATOM 24163 OH2 TIP3 8296 0.424 -0.912 2.240 1.00 0.00 WT1 O ATOM 24164 H1 TIP3 8296 -9.808 10.151 2.925 1.00 0.00 WT1 H ATOM 24165 H2 TIP3 8296 2.826 -5.065 -2.753 1.00 0.00 WT1 H ATOM 24166 OH2 TIP3 8297 1.424 -0.378 1.177 1.00 0.00 WT1 O ATOM 24167 H1 TIP3 8297 8.145 12.776 -28.624 1.00 0.00 WT1 H ATOM 24168 H2 TIP3 8297 -18.048 -19.499 6.950 1.00 0.00 WT1 H ATOM 24169 OH2 TIP3 8298 -4.036 -0.727 -3.173 1.00 0.00 WT1 O ATOM 24170 H1 TIP3 8298 8.706 -10.499 -5.531 1.00 0.00 WT1 H ATOM 24171 H2 TIP3 8298 -7.671 3.663 -17.964 1.00 0.00 WT1 H ATOM 24172 OH2 TIP3 8299 -2.405 2.471 -6.843 1.00 0.00 WT1 O ATOM 24173 H1 TIP3 8299 -9.794 -19.760 -5.182 1.00 0.00 WT1 H ATOM 24174 H2 TIP3 8299 12.506 -24.948 -23.565 1.00 0.00 WT1 H ATOM 24175 OH2 TIP3 8300 -2.294 0.690 -5.438 1.00 0.00 WT1 O ATOM 24176 H1 TIP3 8300 -25.447 -2.595 36.936 1.00 0.00 WT1 H ATOM 24177 H2 TIP3 8300 7.954 -19.570 -7.812 1.00 0.00 WT1 H ATOM 24178 OH2 TIP3 8301 3.410 1.583 -0.264 1.00 0.00 WT1 O ATOM 24179 H1 TIP3 8301 13.273 -2.840 2.984 1.00 0.00 WT1 H ATOM 24180 H2 TIP3 8301 8.452 3.354 -30.842 1.00 0.00 WT1 H ATOM 24181 OH2 TIP3 8302 -0.861 1.154 0.199 1.00 0.00 WT1 O ATOM 24182 H1 TIP3 8302 -3.709 5.544 5.992 1.00 0.00 WT1 H ATOM 24183 H2 TIP3 8302 3.855 4.035 -3.814 1.00 0.00 WT1 H ATOM 24184 OH2 TIP3 8303 4.322 7.488 -3.433 1.00 0.00 WT1 O ATOM 24185 H1 TIP3 8303 -10.073 16.306 7.584 1.00 0.00 WT1 H ATOM 24186 H2 TIP3 8303 1.570 -0.808 -26.668 1.00 0.00 WT1 H ATOM 24187 OH2 TIP3 8304 3.867 -0.399 6.431 1.00 0.00 WT1 O ATOM 24188 H1 TIP3 8304 5.930 4.556 20.949 1.00 0.00 WT1 H ATOM 24189 H2 TIP3 8304 -13.276 -5.306 -0.612 1.00 0.00 WT1 H ATOM 24190 OH2 TIP3 8305 -0.163 2.079 -4.611 1.00 0.00 WT1 O ATOM 24191 H1 TIP3 8305 -3.025 21.127 -0.697 1.00 0.00 WT1 H ATOM 24192 H2 TIP3 8305 1.250 16.666 0.565 1.00 0.00 WT1 H ATOM 24193 OH2 TIP3 8306 6.306 5.390 -1.168 1.00 0.00 WT1 O ATOM 24194 H1 TIP3 8306 20.862 -1.537 -13.478 1.00 0.00 WT1 H ATOM 24195 H2 TIP3 8306 8.762 -5.941 2.058 1.00 0.00 WT1 H ATOM 24196 OH2 TIP3 8307 0.184 2.212 -0.120 1.00 0.00 WT1 O ATOM 24197 H1 TIP3 8307 -8.724 7.530 12.135 1.00 0.00 WT1 H ATOM 24198 H2 TIP3 8307 10.758 10.489 -10.373 1.00 0.00 WT1 H ATOM 24199 OH2 TIP3 8308 9.333 0.595 -9.389 1.00 0.00 WT1 O ATOM 24200 H1 TIP3 8308 6.317 24.101 -6.805 1.00 0.00 WT1 H ATOM 24201 H2 TIP3 8308 11.891 6.468 -13.249 1.00 0.00 WT1 H ATOM 24202 OH2 TIP3 8309 -5.521 -0.294 -0.612 1.00 0.00 WT1 O ATOM 24203 H1 TIP3 8309 -4.844 5.262 -6.723 1.00 0.00 WT1 H ATOM 24204 H2 TIP3 8309 -2.375 10.692 20.632 1.00 0.00 WT1 H ATOM 24205 OH2 TIP3 8310 4.531 -2.928 2.703 1.00 0.00 WT1 O ATOM 24206 H1 TIP3 8310 16.047 11.912 -14.247 1.00 0.00 WT1 H ATOM 24207 H2 TIP3 8310 23.133 5.169 -18.319 1.00 0.00 WT1 H ATOM 24208 OH2 TIP3 8311 0.290 -3.423 -3.511 1.00 0.00 WT1 O ATOM 24209 H1 TIP3 8311 8.862 -14.379 -6.020 1.00 0.00 WT1 H ATOM 24210 H2 TIP3 8311 5.083 -0.123 4.943 1.00 0.00 WT1 H ATOM 24211 OH2 TIP3 8312 1.921 -7.058 -1.732 1.00 0.00 WT1 O ATOM 24212 H1 TIP3 8312 1.744 7.630 13.484 1.00 0.00 WT1 H ATOM 24213 H2 TIP3 8312 -16.986 9.863 9.088 1.00 0.00 WT1 H ATOM 24214 OH2 TIP3 8313 -2.627 -2.428 -4.422 1.00 0.00 WT1 O ATOM 24215 H1 TIP3 8313 -17.641 5.900 -18.967 1.00 0.00 WT1 H ATOM 24216 H2 TIP3 8313 -5.686 -3.467 -11.092 1.00 0.00 WT1 H ATOM 24217 OH2 TIP3 8314 -1.500 7.018 1.020 1.00 0.00 WT1 O ATOM 24218 H1 TIP3 8314 -17.010 11.338 3.470 1.00 0.00 WT1 H ATOM 24219 H2 TIP3 8314 0.805 13.887 -12.071 1.00 0.00 WT1 H ATOM 24220 OH2 TIP3 8315 -0.962 0.876 6.990 1.00 0.00 WT1 O ATOM 24221 H1 TIP3 8315 0.719 4.759 3.110 1.00 0.00 WT1 H ATOM 24222 H2 TIP3 8315 5.262 21.624 -6.480 1.00 0.00 WT1 H ATOM 24223 OH2 TIP3 8316 -1.328 4.392 -0.575 1.00 0.00 WT1 O ATOM 24224 H1 TIP3 8316 1.737 -0.434 -2.402 1.00 0.00 WT1 H ATOM 24225 H2 TIP3 8316 -2.855 9.369 -3.594 1.00 0.00 WT1 H ATOM 24226 OH2 TIP3 8317 1.609 6.375 -2.924 1.00 0.00 WT1 O ATOM 24227 H1 TIP3 8317 -16.365 18.102 -9.053 1.00 0.00 WT1 H ATOM 24228 H2 TIP3 8317 -1.308 7.255 -26.632 1.00 0.00 WT1 H ATOM 24229 OH2 TIP3 8319 1.823 -0.293 -0.375 1.00 0.00 WT1 O ATOM 24230 H1 TIP3 8319 -6.423 -21.023 3.125 1.00 0.00 WT1 H ATOM 24231 H2 TIP3 8319 3.756 -1.829 4.860 1.00 0.00 WT1 H ATOM 24232 OH2 TIP3 8321 -0.296 0.201 2.837 1.00 0.00 WT1 O ATOM 24233 H1 TIP3 8321 -2.856 3.017 16.895 1.00 0.00 WT1 H ATOM 24234 H2 TIP3 8321 8.357 -1.686 -1.331 1.00 0.00 WT1 H ATOM 24235 OH2 TIP3 8322 1.792 -0.980 4.739 1.00 0.00 WT1 O ATOM 24236 H1 TIP3 8322 8.242 20.399 5.762 1.00 0.00 WT1 H ATOM 24237 H2 TIP3 8322 -11.824 -14.672 3.369 1.00 0.00 WT1 H ATOM 24238 OH2 TIP3 8323 -1.093 -7.785 0.476 1.00 0.00 WT1 O ATOM 24239 H1 TIP3 8323 9.911 -7.901 14.339 1.00 0.00 WT1 H ATOM 24240 H2 TIP3 8323 -4.504 -27.401 -1.113 1.00 0.00 WT1 H ATOM 24241 OH2 TIP3 8324 -1.879 -6.776 -1.623 1.00 0.00 WT1 O ATOM 24242 H1 TIP3 8324 -8.159 -25.436 14.225 1.00 0.00 WT1 H ATOM 24243 H2 TIP3 8324 -2.042 -12.180 1.457 1.00 0.00 WT1 H ATOM 24244 OH2 TIP3 8325 0.669 -5.511 7.476 1.00 0.00 WT1 O ATOM 24245 H1 TIP3 8325 -19.299 11.183 2.523 1.00 0.00 WT1 H ATOM 24246 H2 TIP3 8325 -22.527 0.501 -3.302 1.00 0.00 WT1 H ATOM 24247 OH2 TIP3 8326 -0.150 -3.089 -3.513 1.00 0.00 WT1 O ATOM 24248 H1 TIP3 8326 7.988 -8.492 1.050 1.00 0.00 WT1 H ATOM 24249 H2 TIP3 8326 7.600 -7.769 0.398 1.00 0.00 WT1 H ATOM 24250 OH2 TIP3 8327 -0.518 -0.251 4.481 1.00 0.00 WT1 O ATOM 24251 H1 TIP3 8327 14.207 -15.171 5.245 1.00 0.00 WT1 H ATOM 24252 H2 TIP3 8327 -16.578 4.943 -6.144 1.00 0.00 WT1 H ATOM 24253 OH2 TIP3 8328 -2.415 5.851 -0.909 1.00 0.00 WT1 O ATOM 24254 H1 TIP3 8328 -7.938 15.334 13.676 1.00 0.00 WT1 H ATOM 24255 H2 TIP3 8328 -15.293 8.083 13.745 1.00 0.00 WT1 H ATOM 24256 OH2 TIP3 8329 2.322 0.506 -0.822 1.00 0.00 WT1 O ATOM 24257 H1 TIP3 8329 4.417 -1.823 -3.730 1.00 0.00 WT1 H ATOM 24258 H2 TIP3 8329 -26.277 -2.928 -16.030 1.00 0.00 WT1 H ATOM 24259 OH2 TIP3 8330 -0.415 8.635 4.350 1.00 0.00 WT1 O ATOM 24260 H1 TIP3 8330 -11.348 -4.986 -1.945 1.00 0.00 WT1 H ATOM 24261 H2 TIP3 8330 -13.344 -7.270 -3.260 1.00 0.00 WT1 H ATOM 24262 OH2 TIP3 8331 5.633 3.792 5.261 1.00 0.00 WT1 O ATOM 24263 H1 TIP3 8331 -5.337 -4.606 7.011 1.00 0.00 WT1 H ATOM 24264 H2 TIP3 8331 10.395 5.390 2.493 1.00 0.00 WT1 H ATOM 24265 OH2 TIP3 8332 -1.003 1.353 1.436 1.00 0.00 WT1 O ATOM 24266 H1 TIP3 8332 -1.926 4.221 -1.771 1.00 0.00 WT1 H ATOM 24267 H2 TIP3 8332 2.657 -25.666 13.500 1.00 0.00 WT1 H ATOM 24268 OH2 TIP3 8334 -4.520 2.831 0.852 1.00 0.00 WT1 O ATOM 24269 H1 TIP3 8334 -10.428 -8.502 -4.594 1.00 0.00 WT1 H ATOM 24270 H2 TIP3 8334 -2.950 -12.246 25.176 1.00 0.00 WT1 H ATOM 24271 OH2 TIP3 8335 2.426 10.760 4.205 1.00 0.00 WT1 O ATOM 24272 H1 TIP3 8335 -13.163 2.110 10.574 1.00 0.00 WT1 H ATOM 24273 H2 TIP3 8335 5.957 12.170 2.509 1.00 0.00 WT1 H ATOM 24274 OH2 TIP3 8336 0.095 3.770 -0.920 1.00 0.00 WT1 O ATOM 24275 H1 TIP3 8336 -4.705 5.558 22.172 1.00 0.00 WT1 H ATOM 24276 H2 TIP3 8336 -8.599 -2.550 -4.121 1.00 0.00 WT1 H ATOM 24277 OH2 TIP3 8338 -2.501 6.997 0.746 1.00 0.00 WT1 O ATOM 24278 H1 TIP3 8338 1.584 -12.781 -5.269 1.00 0.00 WT1 H ATOM 24279 H2 TIP3 8338 -8.837 -22.456 8.350 1.00 0.00 WT1 H ATOM 24280 OH2 TIP3 8339 1.194 0.145 2.696 1.00 0.00 WT1 O ATOM 24281 H1 TIP3 8339 22.830 0.192 1.688 1.00 0.00 WT1 H ATOM 24282 H2 TIP3 8339 -6.652 -9.716 23.568 1.00 0.00 WT1 H ATOM 24283 OH2 TIP3 8341 2.999 -0.588 5.166 1.00 0.00 WT1 O ATOM 24284 H1 TIP3 8341 18.975 -16.544 -1.807 1.00 0.00 WT1 H ATOM 24285 H2 TIP3 8341 -7.039 -19.064 1.615 1.00 0.00 WT1 H ATOM 24286 OH2 TIP3 8342 3.096 -0.858 1.568 1.00 0.00 WT1 O ATOM 24287 H1 TIP3 8342 4.039 4.844 18.650 1.00 0.00 WT1 H ATOM 24288 H2 TIP3 8342 -2.170 16.598 33.064 1.00 0.00 WT1 H ATOM 24289 OH2 TIP3 8344 -2.395 2.037 -2.306 1.00 0.00 WT1 O ATOM 24290 H1 TIP3 8344 -0.562 -6.865 9.537 1.00 0.00 WT1 H ATOM 24291 H2 TIP3 8344 5.782 1.713 -7.123 1.00 0.00 WT1 H ATOM 24292 OH2 TIP3 8345 -0.575 -0.492 7.028 1.00 0.00 WT1 O ATOM 24293 H1 TIP3 8345 6.681 8.924 6.773 1.00 0.00 WT1 H ATOM 24294 H2 TIP3 8345 -14.410 -5.408 4.746 1.00 0.00 WT1 H ATOM 24295 OH2 TIP3 8346 -2.779 2.489 6.935 1.00 0.00 WT1 O ATOM 24296 H1 TIP3 8346 8.013 24.647 11.816 1.00 0.00 WT1 H ATOM 24297 H2 TIP3 8346 8.278 -2.343 -13.730 1.00 0.00 WT1 H ATOM 24298 OH2 TIP3 8347 -3.194 -8.280 2.985 1.00 0.00 WT1 O ATOM 24299 H1 TIP3 8347 -34.488 -3.376 10.155 1.00 0.00 WT1 H ATOM 24300 H2 TIP3 8347 -5.430 -6.436 6.479 1.00 0.00 WT1 H ATOM 24301 OH2 TIP3 8348 -2.896 -1.101 2.819 1.00 0.00 WT1 O ATOM 24302 H1 TIP3 8348 -18.450 -18.173 -15.939 1.00 0.00 WT1 H ATOM 24303 H2 TIP3 8348 -1.914 -8.840 2.003 1.00 0.00 WT1 H ATOM 24304 OH2 TIP3 8349 -4.021 -7.242 5.754 1.00 0.00 WT1 O ATOM 24305 H1 TIP3 8349 19.868 15.397 -17.946 1.00 0.00 WT1 H ATOM 24306 H2 TIP3 8349 -1.593 -5.316 3.209 1.00 0.00 WT1 H ATOM 24307 OH2 TIP3 8350 -0.620 -3.004 0.895 1.00 0.00 WT1 O ATOM 24308 H1 TIP3 8350 7.515 -18.393 -3.926 1.00 0.00 WT1 H ATOM 24309 H2 TIP3 8350 -16.187 16.536 0.604 1.00 0.00 WT1 H ATOM 24310 OH2 TIP3 8351 0.454 8.646 4.468 1.00 0.00 WT1 O ATOM 24311 H1 TIP3 8351 1.773 -7.878 15.548 1.00 0.00 WT1 H ATOM 24312 H2 TIP3 8351 0.059 7.670 5.647 1.00 0.00 WT1 H ATOM 24313 OH2 TIP3 8352 -4.434 2.004 -2.051 1.00 0.00 WT1 O ATOM 24314 H1 TIP3 8352 -0.289 -2.096 4.771 1.00 0.00 WT1 H ATOM 24315 H2 TIP3 8352 -3.664 1.722 -1.007 1.00 0.00 WT1 H ATOM 24316 OH2 TIP3 8353 1.619 0.651 1.745 1.00 0.00 WT1 O ATOM 24317 H1 TIP3 8353 1.167 -6.956 -9.484 1.00 0.00 WT1 H ATOM 24318 H2 TIP3 8353 1.781 -6.088 13.860 1.00 0.00 WT1 H ATOM 24319 OH2 TIP3 8354 -1.643 -6.046 1.163 1.00 0.00 WT1 O ATOM 24320 H1 TIP3 8354 -1.498 5.131 3.036 1.00 0.00 WT1 H ATOM 24321 H2 TIP3 8354 2.329 7.273 2.478 1.00 0.00 WT1 H ATOM 24322 OH2 TIP3 8355 1.884 2.630 9.305 1.00 0.00 WT1 O ATOM 24323 H1 TIP3 8355 -9.963 -0.604 1.738 1.00 0.00 WT1 H ATOM 24324 H2 TIP3 8355 -1.712 -9.590 14.727 1.00 0.00 WT1 H ATOM 24325 OH2 TIP3 8356 2.642 -4.803 -0.508 1.00 0.00 WT1 O ATOM 24326 H1 TIP3 8356 2.266 2.459 7.076 1.00 0.00 WT1 H ATOM 24327 H2 TIP3 8356 5.653 -13.741 5.087 1.00 0.00 WT1 H ATOM 24328 OH2 TIP3 8357 5.199 -0.097 -0.627 1.00 0.00 WT1 O ATOM 24329 H1 TIP3 8357 -5.380 -9.476 -4.635 1.00 0.00 WT1 H ATOM 24330 H2 TIP3 8357 -5.390 16.904 -0.277 1.00 0.00 WT1 H ATOM 24331 OH2 TIP3 8358 -4.551 4.264 0.819 1.00 0.00 WT1 O ATOM 24332 H1 TIP3 8358 -10.455 -1.432 3.780 1.00 0.00 WT1 H ATOM 24333 H2 TIP3 8358 -9.151 0.630 12.734 1.00 0.00 WT1 H ATOM 24334 OH2 TIP3 8359 6.394 2.787 1.347 1.00 0.00 WT1 O ATOM 24335 H1 TIP3 8359 5.801 -9.668 -4.311 1.00 0.00 WT1 H ATOM 24336 H2 TIP3 8359 6.390 -15.348 -21.134 1.00 0.00 WT1 H ATOM 24337 OH2 TIP3 8360 -7.537 -0.154 -1.060 1.00 0.00 WT1 O ATOM 24338 H1 TIP3 8360 7.589 -11.193 -1.432 1.00 0.00 WT1 H ATOM 24339 H2 TIP3 8360 3.932 -31.474 -17.857 1.00 0.00 WT1 H ATOM 24340 OH2 TIP3 8361 -1.623 0.595 -2.822 1.00 0.00 WT1 O ATOM 24341 H1 TIP3 8361 -2.930 3.163 -2.415 1.00 0.00 WT1 H ATOM 24342 H2 TIP3 8361 17.290 -18.043 -5.849 1.00 0.00 WT1 H ATOM 24343 OH2 TIP3 8362 0.781 0.735 0.517 1.00 0.00 WT1 O ATOM 24344 H1 TIP3 8362 8.385 12.399 -11.592 1.00 0.00 WT1 H ATOM 24345 H2 TIP3 8362 20.495 21.723 3.130 1.00 0.00 WT1 H ATOM 24346 OH2 TIP3 8363 -0.427 2.519 1.949 1.00 0.00 WT1 O ATOM 24347 H1 TIP3 8363 17.463 -1.327 -8.566 1.00 0.00 WT1 H ATOM 24348 H2 TIP3 8363 -10.045 1.256 4.236 1.00 0.00 WT1 H ATOM 24349 OH2 TIP3 8364 4.805 2.012 3.974 1.00 0.00 WT1 O ATOM 24350 H1 TIP3 8364 -1.169 -6.332 -5.268 1.00 0.00 WT1 H ATOM 24351 H2 TIP3 8364 2.147 3.488 3.229 1.00 0.00 WT1 H ATOM 24352 OH2 TIP3 8365 -3.094 -0.069 -4.780 1.00 0.00 WT1 O ATOM 24353 H1 TIP3 8365 28.958 1.022 -15.579 1.00 0.00 WT1 H ATOM 24354 H2 TIP3 8365 -28.547 4.679 3.361 1.00 0.00 WT1 H ATOM 24355 OH2 TIP3 8366 -6.814 4.541 -1.194 1.00 0.00 WT1 O ATOM 24356 H1 TIP3 8366 4.940 31.166 -6.959 1.00 0.00 WT1 H ATOM 24357 H2 TIP3 8366 -3.961 12.059 -7.819 1.00 0.00 WT1 H ATOM 24358 OH2 TIP3 8367 1.125 0.460 -8.699 1.00 0.00 WT1 O ATOM 24359 H1 TIP3 8367 -2.156 5.613 -0.911 1.00 0.00 WT1 H ATOM 24360 H2 TIP3 8367 23.239 -12.958 -5.762 1.00 0.00 WT1 H ATOM 24361 OH2 TIP3 8368 6.041 0.170 4.403 1.00 0.00 WT1 O ATOM 24362 H1 TIP3 8368 -11.053 10.650 20.314 1.00 0.00 WT1 H ATOM 24363 H2 TIP3 8368 -2.206 -4.431 -4.463 1.00 0.00 WT1 H ATOM 24364 OH2 TIP3 8369 -4.466 0.960 -5.001 1.00 0.00 WT1 O ATOM 24365 H1 TIP3 8369 2.572 20.703 15.723 1.00 0.00 WT1 H ATOM 24366 H2 TIP3 8369 -18.758 -17.626 -2.964 1.00 0.00 WT1 H ATOM 24367 OH2 TIP3 8370 2.623 -0.405 -6.414 1.00 0.00 WT1 O ATOM 24368 H1 TIP3 8370 1.551 6.398 -2.075 1.00 0.00 WT1 H ATOM 24369 H2 TIP3 8370 -3.205 1.035 -18.641 1.00 0.00 WT1 H ATOM 24370 OH2 TIP3 8371 -2.678 -0.598 2.654 1.00 0.00 WT1 O ATOM 24371 H1 TIP3 8371 -15.518 -18.782 -3.230 1.00 0.00 WT1 H ATOM 24372 H2 TIP3 8371 1.189 -1.627 -6.200 1.00 0.00 WT1 H ATOM 24373 OH2 TIP3 8372 -3.705 -2.894 2.374 1.00 0.00 WT1 O ATOM 24374 H1 TIP3 8372 -2.133 -6.351 -5.486 1.00 0.00 WT1 H ATOM 24375 H2 TIP3 8372 -5.365 2.684 11.599 1.00 0.00 WT1 H ATOM 24376 OH2 TIP3 8373 -0.794 0.297 -5.009 1.00 0.00 WT1 O ATOM 24377 H1 TIP3 8373 7.760 -11.947 5.102 1.00 0.00 WT1 H ATOM 24378 H2 TIP3 8373 0.787 1.138 0.893 1.00 0.00 WT1 H ATOM 24379 OH2 TIP3 8374 0.392 1.478 0.911 1.00 0.00 WT1 O ATOM 24380 H1 TIP3 8374 9.912 1.187 15.462 1.00 0.00 WT1 H ATOM 24381 H2 TIP3 8374 -9.392 11.821 6.432 1.00 0.00 WT1 H ATOM 24382 OH2 TIP3 8375 -0.036 -3.374 2.276 1.00 0.00 WT1 O ATOM 24383 H1 TIP3 8375 1.174 -10.180 -0.679 1.00 0.00 WT1 H ATOM 24384 H2 TIP3 8375 3.735 -3.336 -7.594 1.00 0.00 WT1 H ATOM 24385 OH2 TIP3 8376 -5.375 3.822 -4.278 1.00 0.00 WT1 O ATOM 24386 H1 TIP3 8376 6.337 2.818 9.006 1.00 0.00 WT1 H ATOM 24387 H2 TIP3 8376 -6.567 24.614 -8.214 1.00 0.00 WT1 H ATOM 24388 OH2 TIP3 8377 -3.909 2.712 0.097 1.00 0.00 WT1 O ATOM 24389 H1 TIP3 8377 -6.054 -5.118 -22.178 1.00 0.00 WT1 H ATOM 24390 H2 TIP3 8377 -6.581 -23.762 7.968 1.00 0.00 WT1 H ATOM 24391 OH2 TIP3 8378 -9.169 -4.311 1.397 1.00 0.00 WT1 O ATOM 24392 H1 TIP3 8378 -14.246 9.636 0.496 1.00 0.00 WT1 H ATOM 24393 H2 TIP3 8378 -10.001 -0.278 13.605 1.00 0.00 WT1 H ATOM 24394 OH2 TIP3 8379 -2.082 11.125 4.829 1.00 0.00 WT1 O ATOM 24395 H1 TIP3 8379 -22.920 -0.259 4.407 1.00 0.00 WT1 H ATOM 24396 H2 TIP3 8379 5.505 6.272 -8.166 1.00 0.00 WT1 H ATOM 24397 OH2 TIP3 8380 2.870 7.528 4.321 1.00 0.00 WT1 O ATOM 24398 H1 TIP3 8380 -10.831 13.706 0.057 1.00 0.00 WT1 H ATOM 24399 H2 TIP3 8380 12.229 10.189 -8.347 1.00 0.00 WT1 H ATOM 24400 OH2 TIP3 8381 6.133 -0.309 3.649 1.00 0.00 WT1 O ATOM 24401 H1 TIP3 8381 -21.666 2.570 -6.835 1.00 0.00 WT1 H ATOM 24402 H2 TIP3 8381 1.165 -8.554 30.832 1.00 0.00 WT1 H ATOM 24403 OH2 TIP3 8382 3.293 2.398 0.082 1.00 0.00 WT1 O ATOM 24404 H1 TIP3 8382 -7.409 -19.537 4.700 1.00 0.00 WT1 H ATOM 24405 H2 TIP3 8382 8.305 14.383 0.314 1.00 0.00 WT1 H ATOM 24406 OH2 TIP3 8383 -1.574 -2.703 -5.829 1.00 0.00 WT1 O ATOM 24407 H1 TIP3 8383 -19.636 25.043 -9.526 1.00 0.00 WT1 H ATOM 24408 H2 TIP3 8383 -10.997 1.055 11.548 1.00 0.00 WT1 H ATOM 24409 OH2 TIP3 8384 -0.990 1.848 4.406 1.00 0.00 WT1 O ATOM 24410 H1 TIP3 8384 -6.775 17.082 14.183 1.00 0.00 WT1 H ATOM 24411 H2 TIP3 8384 -27.207 4.202 -12.461 1.00 0.00 WT1 H ATOM 24412 OH2 TIP3 8385 -7.232 8.921 2.514 1.00 0.00 WT1 O ATOM 24413 H1 TIP3 8385 1.337 32.792 -16.346 1.00 0.00 WT1 H ATOM 24414 H2 TIP3 8385 33.899 6.557 -6.201 1.00 0.00 WT1 H ATOM 24415 OH2 TIP3 8386 3.572 7.312 -0.084 1.00 0.00 WT1 O ATOM 24416 H1 TIP3 8386 1.792 3.975 -11.426 1.00 0.00 WT1 H ATOM 24417 H2 TIP3 8386 3.729 27.490 4.052 1.00 0.00 WT1 H ATOM 24418 OH2 TIP3 8387 2.877 0.795 3.099 1.00 0.00 WT1 O ATOM 24419 H1 TIP3 8387 4.083 4.960 -10.343 1.00 0.00 WT1 H ATOM 24420 H2 TIP3 8387 -10.702 -4.090 16.893 1.00 0.00 WT1 H ATOM 24421 OH2 TIP3 8388 -3.979 0.197 2.799 1.00 0.00 WT1 O ATOM 24422 H1 TIP3 8388 -21.451 5.834 11.294 1.00 0.00 WT1 H ATOM 24423 H2 TIP3 8388 -8.338 -2.227 6.632 1.00 0.00 WT1 H ATOM 24424 OH2 TIP3 8389 1.688 -1.280 -3.421 1.00 0.00 WT1 O ATOM 24425 H1 TIP3 8389 12.130 5.875 -5.833 1.00 0.00 WT1 H ATOM 24426 H2 TIP3 8389 -31.709 -12.396 -16.513 1.00 0.00 WT1 H ATOM 24427 OH2 TIP3 8390 -1.787 7.170 4.855 1.00 0.00 WT1 O ATOM 24428 H1 TIP3 8390 -6.515 -24.545 2.202 1.00 0.00 WT1 H ATOM 24429 H2 TIP3 8390 15.323 24.782 10.196 1.00 0.00 WT1 H ATOM 24430 OH2 TIP3 8391 -1.249 -8.025 -4.414 1.00 0.00 WT1 O ATOM 24431 H1 TIP3 8391 -2.187 -11.978 5.205 1.00 0.00 WT1 H ATOM 24432 H2 TIP3 8391 -0.687 -3.854 -18.410 1.00 0.00 WT1 H ATOM 24433 OH2 TIP3 8392 -3.556 -1.167 2.220 1.00 0.00 WT1 O ATOM 24434 H1 TIP3 8392 -3.917 -2.487 5.463 1.00 0.00 WT1 H ATOM 24435 H2 TIP3 8392 13.419 -8.644 -12.890 1.00 0.00 WT1 H ATOM 24436 OH2 TIP3 8393 3.343 6.410 3.102 1.00 0.00 WT1 O ATOM 24437 H1 TIP3 8393 2.878 -13.060 -4.714 1.00 0.00 WT1 H ATOM 24438 H2 TIP3 8393 -20.169 -22.388 22.760 1.00 0.00 WT1 H ATOM 24439 OH2 TIP3 8394 -1.536 0.601 2.392 1.00 0.00 WT1 O ATOM 24440 H1 TIP3 8394 11.300 0.771 3.337 1.00 0.00 WT1 H ATOM 24441 H2 TIP3 8394 -21.815 6.844 24.782 1.00 0.00 WT1 H ATOM 24442 OH2 TIP3 8396 4.089 -0.351 0.187 1.00 0.00 WT1 O ATOM 24443 H1 TIP3 8396 11.238 14.092 12.980 1.00 0.00 WT1 H ATOM 24444 H2 TIP3 8396 -10.688 -5.644 0.236 1.00 0.00 WT1 H ATOM 24445 OH2 TIP3 8397 3.559 0.296 -1.526 1.00 0.00 WT1 O ATOM 24446 H1 TIP3 8397 -5.410 -0.337 -2.026 1.00 0.00 WT1 H ATOM 24447 H2 TIP3 8397 19.390 -15.360 6.470 1.00 0.00 WT1 H ATOM 24448 OH2 TIP3 8398 -3.644 -7.591 2.882 1.00 0.00 WT1 O ATOM 24449 H1 TIP3 8398 2.052 -8.174 2.120 1.00 0.00 WT1 H ATOM 24450 H2 TIP3 8398 22.861 -15.760 2.856 1.00 0.00 WT1 H ATOM 24451 OH2 TIP3 8399 1.169 -2.678 0.754 1.00 0.00 WT1 O ATOM 24452 H1 TIP3 8399 17.838 8.991 -6.284 1.00 0.00 WT1 H ATOM 24453 H2 TIP3 8399 -18.497 -0.085 -10.224 1.00 0.00 WT1 H ATOM 24454 OH2 TIP3 8400 1.598 -0.135 -1.748 1.00 0.00 WT1 O ATOM 24455 H1 TIP3 8400 13.876 9.853 -25.656 1.00 0.00 WT1 H ATOM 24456 H2 TIP3 8400 -10.461 10.429 -8.104 1.00 0.00 WT1 H ATOM 24457 OH2 TIP3 8401 -4.311 1.593 3.792 1.00 0.00 WT1 O ATOM 24458 H1 TIP3 8401 -19.566 -5.030 -2.428 1.00 0.00 WT1 H ATOM 24459 H2 TIP3 8401 24.959 -3.660 18.913 1.00 0.00 WT1 H ATOM 24460 OH2 TIP3 8402 -3.847 2.016 1.711 1.00 0.00 WT1 O ATOM 24461 H1 TIP3 8402 -0.689 -1.439 9.042 1.00 0.00 WT1 H ATOM 24462 H2 TIP3 8402 -3.527 9.439 -2.565 1.00 0.00 WT1 H ATOM 24463 OH2 TIP3 8403 2.027 3.562 0.025 1.00 0.00 WT1 O ATOM 24464 H1 TIP3 8403 8.378 7.816 -5.331 1.00 0.00 WT1 H ATOM 24465 H2 TIP3 8403 -3.710 3.440 7.565 1.00 0.00 WT1 H ATOM 24466 OH2 TIP3 8404 -2.464 1.109 8.268 1.00 0.00 WT1 O ATOM 24467 H1 TIP3 8404 3.902 -20.206 5.465 1.00 0.00 WT1 H ATOM 24468 H2 TIP3 8404 -2.987 -0.854 -11.383 1.00 0.00 WT1 H ATOM 24469 OH2 TIP3 8405 -3.032 -0.124 12.427 1.00 0.00 WT1 O ATOM 24470 H1 TIP3 8405 -0.684 4.191 -0.545 1.00 0.00 WT1 H ATOM 24471 H2 TIP3 8405 10.177 2.707 15.253 1.00 0.00 WT1 H ATOM 24472 OH2 TIP3 8406 2.859 -0.060 2.874 1.00 0.00 WT1 O ATOM 24473 H1 TIP3 8406 13.802 -1.667 9.895 1.00 0.00 WT1 H ATOM 24474 H2 TIP3 8406 -5.628 16.675 9.025 1.00 0.00 WT1 H ATOM 24475 OH2 TIP3 8407 0.856 -0.155 5.302 1.00 0.00 WT1 O ATOM 24476 H1 TIP3 8407 10.791 3.055 7.580 1.00 0.00 WT1 H ATOM 24477 H2 TIP3 8407 24.968 6.167 11.277 1.00 0.00 WT1 H ATOM 24478 OH2 TIP3 8408 6.111 7.238 6.313 1.00 0.00 WT1 O ATOM 24479 H1 TIP3 8408 -1.616 -11.951 18.447 1.00 0.00 WT1 H ATOM 24480 H2 TIP3 8408 10.441 8.991 3.658 1.00 0.00 WT1 H ATOM 24481 OH2 TIP3 8409 -2.475 -3.235 -2.013 1.00 0.00 WT1 O ATOM 24482 H1 TIP3 8409 -0.596 -25.847 3.326 1.00 0.00 WT1 H ATOM 24483 H2 TIP3 8409 -16.595 1.440 -10.025 1.00 0.00 WT1 H ATOM 24484 OH2 TIP3 8410 0.034 -1.924 4.251 1.00 0.00 WT1 O ATOM 24485 H1 TIP3 8410 -0.063 -5.821 5.334 1.00 0.00 WT1 H ATOM 24486 H2 TIP3 8410 -3.445 10.207 10.053 1.00 0.00 WT1 H ATOM 24487 OH2 TIP3 8411 0.844 -0.054 2.379 1.00 0.00 WT1 O ATOM 24488 H1 TIP3 8411 -0.286 -6.352 0.258 1.00 0.00 WT1 H ATOM 24489 H2 TIP3 8411 14.380 -13.291 6.620 1.00 0.00 WT1 H ATOM 24490 OH2 TIP3 8412 -2.661 -0.734 -1.167 1.00 0.00 WT1 O ATOM 24491 H1 TIP3 8412 6.919 15.269 6.842 1.00 0.00 WT1 H ATOM 24492 H2 TIP3 8412 21.516 0.003 -10.835 1.00 0.00 WT1 H ATOM 24493 OH2 TIP3 8413 -1.240 1.007 3.434 1.00 0.00 WT1 O ATOM 24494 H1 TIP3 8413 -1.639 0.446 10.485 1.00 0.00 WT1 H ATOM 24495 H2 TIP3 8413 -2.445 1.141 4.009 1.00 0.00 WT1 H ATOM 24496 OH2 TIP3 8414 -3.124 -1.268 0.658 1.00 0.00 WT1 O ATOM 24497 H1 TIP3 8414 -19.211 -4.514 19.911 1.00 0.00 WT1 H ATOM 24498 H2 TIP3 8414 -4.059 -1.696 -17.307 1.00 0.00 WT1 H ATOM 24499 OH2 TIP3 8415 -2.611 -5.519 -5.303 1.00 0.00 WT1 O ATOM 24500 H1 TIP3 8415 18.931 -13.872 -4.243 1.00 0.00 WT1 H ATOM 24501 H2 TIP3 8415 29.473 -19.781 -17.555 1.00 0.00 WT1 H ATOM 24502 OH2 TIP3 8416 1.317 4.338 11.050 1.00 0.00 WT1 O ATOM 24503 H1 TIP3 8416 5.051 -3.995 23.559 1.00 0.00 WT1 H ATOM 24504 H2 TIP3 8416 3.681 5.012 -4.455 1.00 0.00 WT1 H ATOM 24505 OH2 TIP3 8417 1.011 1.373 3.243 1.00 0.00 WT1 O ATOM 24506 H1 TIP3 8417 -5.159 19.740 8.242 1.00 0.00 WT1 H ATOM 24507 H2 TIP3 8417 10.919 -27.115 1.269 1.00 0.00 WT1 H ATOM 24508 OH2 TIP3 8418 3.985 -4.263 -5.728 1.00 0.00 WT1 O ATOM 24509 H1 TIP3 8418 15.421 4.245 -10.243 1.00 0.00 WT1 H ATOM 24510 H2 TIP3 8418 -16.099 -13.461 2.734 1.00 0.00 WT1 H ATOM 24511 OH2 TIP3 8419 -2.790 4.641 -11.631 1.00 0.00 WT1 O ATOM 24512 H1 TIP3 8419 -4.342 -0.907 -1.708 1.00 0.00 WT1 H ATOM 24513 H2 TIP3 8419 1.705 28.570 26.345 1.00 0.00 WT1 H ATOM 24514 OH2 TIP3 8420 4.465 -5.470 1.790 1.00 0.00 WT1 O ATOM 24515 H1 TIP3 8420 10.077 12.644 14.083 1.00 0.00 WT1 H ATOM 24516 H2 TIP3 8420 12.337 3.878 16.202 1.00 0.00 WT1 H ATOM 24517 OH2 TIP3 8422 5.217 2.258 -5.926 1.00 0.00 WT1 O ATOM 24518 H1 TIP3 8422 12.979 -9.679 1.148 1.00 0.00 WT1 H ATOM 24519 H2 TIP3 8422 -4.044 7.003 -0.106 1.00 0.00 WT1 H ATOM 24520 OH2 TIP3 8423 2.582 -2.166 0.901 1.00 0.00 WT1 O ATOM 24521 H1 TIP3 8423 7.972 6.451 -5.919 1.00 0.00 WT1 H ATOM 24522 H2 TIP3 8423 6.111 9.457 3.679 1.00 0.00 WT1 H ATOM 24523 OH2 TIP3 8424 4.909 -0.296 -0.036 1.00 0.00 WT1 O ATOM 24524 H1 TIP3 8424 3.301 1.122 1.678 1.00 0.00 WT1 H ATOM 24525 H2 TIP3 8424 -7.348 -3.349 12.702 1.00 0.00 WT1 H ATOM 24526 OH2 TIP3 8425 -4.200 -3.485 0.665 1.00 0.00 WT1 O ATOM 24527 H1 TIP3 8425 -11.811 9.043 -1.551 1.00 0.00 WT1 H ATOM 24528 H2 TIP3 8425 5.855 -7.994 -5.441 1.00 0.00 WT1 H ATOM 24529 OH2 TIP3 8426 -1.385 -7.563 8.075 1.00 0.00 WT1 O ATOM 24530 H1 TIP3 8426 8.864 -6.481 -6.751 1.00 0.00 WT1 H ATOM 24531 H2 TIP3 8426 -3.825 -16.223 -5.555 1.00 0.00 WT1 H ATOM 24532 OH2 TIP3 8427 -2.099 -2.400 1.551 1.00 0.00 WT1 O ATOM 24533 H1 TIP3 8427 2.897 13.224 -16.364 1.00 0.00 WT1 H ATOM 24534 H2 TIP3 8427 6.033 0.441 1.740 1.00 0.00 WT1 H ATOM 24535 OH2 TIP3 8428 -2.209 4.601 -1.074 1.00 0.00 WT1 O ATOM 24536 H1 TIP3 8428 -12.407 -9.857 -15.202 1.00 0.00 WT1 H ATOM 24537 H2 TIP3 8428 8.989 -1.670 -7.704 1.00 0.00 WT1 H ATOM 24538 OH2 TIP3 8429 3.943 0.222 -3.213 1.00 0.00 WT1 O ATOM 24539 H1 TIP3 8429 12.187 5.762 1.265 1.00 0.00 WT1 H ATOM 24540 H2 TIP3 8429 -1.783 -5.767 -7.783 1.00 0.00 WT1 H ATOM 24541 OH2 TIP3 8430 -2.328 -3.819 4.097 1.00 0.00 WT1 O ATOM 24542 H1 TIP3 8430 8.808 -1.843 -5.792 1.00 0.00 WT1 H ATOM 24543 H2 TIP3 8430 4.426 -3.195 -3.994 1.00 0.00 WT1 H ATOM 24544 OH2 TIP3 8431 1.135 -2.875 2.765 1.00 0.00 WT1 O ATOM 24545 H1 TIP3 8431 -7.290 0.204 0.284 1.00 0.00 WT1 H ATOM 24546 H2 TIP3 8431 3.157 2.364 -5.883 1.00 0.00 WT1 H ATOM 24547 OH2 TIP3 8432 -2.433 -2.715 -6.084 1.00 0.00 WT1 O ATOM 24548 H1 TIP3 8432 -3.084 2.046 -11.478 1.00 0.00 WT1 H ATOM 24549 H2 TIP3 8432 -10.330 -4.537 -4.764 1.00 0.00 WT1 H ATOM 24550 OH2 TIP3 8433 -1.438 1.035 -5.199 1.00 0.00 WT1 O ATOM 24551 H1 TIP3 8433 1.713 -0.750 2.234 1.00 0.00 WT1 H ATOM 24552 H2 TIP3 8433 -2.829 -8.930 -6.529 1.00 0.00 WT1 H ATOM 24553 OH2 TIP3 8434 -2.780 -1.516 -3.730 1.00 0.00 WT1 O ATOM 24554 H1 TIP3 8434 -4.333 5.041 -3.307 1.00 0.00 WT1 H ATOM 24555 H2 TIP3 8434 5.022 -1.682 -1.477 1.00 0.00 WT1 H ATOM 24556 OH2 TIP3 8435 3.194 1.499 -3.670 1.00 0.00 WT1 O ATOM 24557 H1 TIP3 8435 9.740 12.995 -3.563 1.00 0.00 WT1 H ATOM 24558 H2 TIP3 8435 -0.529 10.242 6.725 1.00 0.00 WT1 H ATOM 24559 OH2 TIP3 8436 5.195 -4.424 0.634 1.00 0.00 WT1 O ATOM 24560 H1 TIP3 8436 6.938 3.752 7.658 1.00 0.00 WT1 H ATOM 24561 H2 TIP3 8436 -1.115 7.502 19.876 1.00 0.00 WT1 H ATOM 24562 OH2 TIP3 8437 -5.024 -0.564 -0.474 1.00 0.00 WT1 O ATOM 24563 H1 TIP3 8437 6.418 -6.888 12.501 1.00 0.00 WT1 H ATOM 24564 H2 TIP3 8437 11.901 11.580 20.505 1.00 0.00 WT1 H ATOM 24565 OH2 TIP3 8438 0.854 3.082 6.806 1.00 0.00 WT1 O ATOM 24566 H1 TIP3 8438 34.546 -19.142 -14.390 1.00 0.00 WT1 H ATOM 24567 H2 TIP3 8438 11.822 32.473 -25.201 1.00 0.00 WT1 H ATOM 24568 OH2 TIP3 8439 4.620 -1.505 -4.225 1.00 0.00 WT1 O ATOM 24569 H1 TIP3 8439 5.316 16.089 11.628 1.00 0.00 WT1 H ATOM 24570 H2 TIP3 8439 -9.733 -18.565 4.196 1.00 0.00 WT1 H ATOM 24571 OH2 TIP3 8441 0.653 7.019 2.435 1.00 0.00 WT1 O ATOM 24572 H1 TIP3 8441 -2.486 9.099 19.511 1.00 0.00 WT1 H ATOM 24573 H2 TIP3 8441 20.453 10.503 6.598 1.00 0.00 WT1 H ATOM 24574 OH2 TIP3 8442 9.032 -5.864 -4.836 1.00 0.00 WT1 O ATOM 24575 H1 TIP3 8442 18.406 -16.340 -19.970 1.00 0.00 WT1 H ATOM 24576 H2 TIP3 8442 -9.946 0.443 -3.029 1.00 0.00 WT1 H ATOM 24577 OH2 TIP3 8443 -0.934 0.018 4.401 1.00 0.00 WT1 O ATOM 24578 H1 TIP3 8443 15.201 21.341 1.952 1.00 0.00 WT1 H ATOM 24579 H2 TIP3 8443 -6.725 -6.532 -12.905 1.00 0.00 WT1 H ATOM 24580 OH2 TIP3 8444 2.245 -0.526 -1.816 1.00 0.00 WT1 O ATOM 24581 H1 TIP3 8444 1.877 -0.204 -2.759 1.00 0.00 WT1 H ATOM 24582 H2 TIP3 8444 2.577 12.100 -11.176 1.00 0.00 WT1 H ATOM 24583 OH2 TIP3 8445 4.847 -7.660 2.871 1.00 0.00 WT1 O ATOM 24584 H1 TIP3 8445 0.703 -4.236 -8.975 1.00 0.00 WT1 H ATOM 24585 H2 TIP3 8445 7.120 -26.364 8.717 1.00 0.00 WT1 H ATOM 24586 OH2 TIP3 8446 4.530 -5.695 3.642 1.00 0.00 WT1 O ATOM 24587 H1 TIP3 8446 0.896 -3.379 -6.382 1.00 0.00 WT1 H ATOM 24588 H2 TIP3 8446 13.421 -0.804 -13.999 1.00 0.00 WT1 H ATOM 24589 OH2 TIP3 8448 -5.200 1.873 -4.322 1.00 0.00 WT1 O ATOM 24590 H1 TIP3 8448 9.324 2.884 -4.866 1.00 0.00 WT1 H ATOM 24591 H2 TIP3 8448 -9.083 -11.482 10.072 1.00 0.00 WT1 H ATOM 24592 OH2 TIP3 8450 4.687 3.006 -3.804 1.00 0.00 WT1 O ATOM 24593 H1 TIP3 8450 -11.803 -6.048 2.389 1.00 0.00 WT1 H ATOM 24594 H2 TIP3 8450 0.173 12.424 -16.838 1.00 0.00 WT1 H ATOM 24595 OH2 TIP3 8451 2.190 0.186 5.373 1.00 0.00 WT1 O ATOM 24596 H1 TIP3 8451 14.366 -0.922 5.041 1.00 0.00 WT1 H ATOM 24597 H2 TIP3 8451 -1.571 -8.807 4.266 1.00 0.00 WT1 H ATOM 24598 OH2 TIP3 8453 -0.463 -2.556 -3.665 1.00 0.00 WT1 O ATOM 24599 H1 TIP3 8453 -25.951 -21.278 8.877 1.00 0.00 WT1 H ATOM 24600 H2 TIP3 8453 7.066 13.941 15.613 1.00 0.00 WT1 H ATOM 24601 OH2 TIP3 8454 -0.093 -1.115 -5.131 1.00 0.00 WT1 O ATOM 24602 H1 TIP3 8454 9.128 -0.282 -1.336 1.00 0.00 WT1 H ATOM 24603 H2 TIP3 8454 -2.736 -8.726 -0.833 1.00 0.00 WT1 H ATOM 24604 OH2 TIP3 8455 0.330 -6.457 1.776 1.00 0.00 WT1 O ATOM 24605 H1 TIP3 8455 -1.256 -11.657 -7.229 1.00 0.00 WT1 H ATOM 24606 H2 TIP3 8455 -2.304 -17.597 -0.672 1.00 0.00 WT1 H ATOM 24607 OH2 TIP3 8456 -5.039 -5.561 6.170 1.00 0.00 WT1 O ATOM 24608 H1 TIP3 8456 -6.024 -8.561 -25.601 1.00 0.00 WT1 H ATOM 24609 H2 TIP3 8456 -15.219 -1.349 19.447 1.00 0.00 WT1 H ATOM 24610 OH2 TIP3 8457 0.313 -5.890 -3.991 1.00 0.00 WT1 O ATOM 24611 H1 TIP3 8457 2.751 -8.283 -5.100 1.00 0.00 WT1 H ATOM 24612 H2 TIP3 8457 0.926 -9.644 -3.853 1.00 0.00 WT1 H ATOM 24613 OH2 TIP3 8458 -3.620 -4.203 -6.527 1.00 0.00 WT1 O ATOM 24614 H1 TIP3 8458 1.762 -10.132 -15.275 1.00 0.00 WT1 H ATOM 24615 H2 TIP3 8458 -14.689 -12.421 -5.793 1.00 0.00 WT1 H ATOM 24616 OH2 TIP3 8459 7.752 -1.304 3.875 1.00 0.00 WT1 O ATOM 24617 H1 TIP3 8459 21.790 -0.422 9.082 1.00 0.00 WT1 H ATOM 24618 H2 TIP3 8459 3.635 -15.550 8.579 1.00 0.00 WT1 H ATOM 24619 OH2 TIP3 8460 -0.064 2.865 -0.085 1.00 0.00 WT1 O ATOM 24620 H1 TIP3 8460 17.376 -15.320 -8.551 1.00 0.00 WT1 H ATOM 24621 H2 TIP3 8460 2.268 8.702 -2.549 1.00 0.00 WT1 H ATOM 24622 OH2 TIP3 8461 2.319 3.443 -3.812 1.00 0.00 WT1 O ATOM 24623 H1 TIP3 8461 -5.877 1.997 0.439 1.00 0.00 WT1 H ATOM 24624 H2 TIP3 8461 8.245 12.833 -8.069 1.00 0.00 WT1 H ATOM 24625 OH2 TIP3 8462 0.949 -4.351 3.094 1.00 0.00 WT1 O ATOM 24626 H1 TIP3 8462 2.006 28.796 27.892 1.00 0.00 WT1 H ATOM 24627 H2 TIP3 8462 0.259 3.352 7.910 1.00 0.00 WT1 H ATOM 24628 OH2 TIP3 8463 1.733 3.415 0.179 1.00 0.00 WT1 O ATOM 24629 H1 TIP3 8463 2.321 2.655 0.060 1.00 0.00 WT1 H ATOM 24630 H2 TIP3 8463 1.892 4.049 0.055 1.00 0.00 WT1 H ATOM 24631 OH2 TIP3 8464 -2.145 0.169 0.324 1.00 0.00 WT1 O ATOM 24632 H1 TIP3 8464 -5.399 3.187 -2.892 1.00 0.00 WT1 H ATOM 24633 H2 TIP3 8464 1.691 -0.110 2.103 1.00 0.00 WT1 H ATOM 24634 OH2 TIP3 8465 2.258 1.618 8.256 1.00 0.00 WT1 O ATOM 24635 H1 TIP3 8465 -1.583 1.746 -4.299 1.00 0.00 WT1 H ATOM 24636 H2 TIP3 8465 4.057 3.779 7.000 1.00 0.00 WT1 H ATOM 24637 OH2 TIP3 8466 -2.096 -6.360 5.526 1.00 0.00 WT1 O ATOM 24638 H1 TIP3 8466 4.191 -5.451 15.678 1.00 0.00 WT1 H ATOM 24639 H2 TIP3 8466 -6.089 -9.952 22.162 1.00 0.00 WT1 H ATOM 24640 OH2 TIP3 8467 4.415 -0.465 -2.235 1.00 0.00 WT1 O ATOM 24641 H1 TIP3 8467 5.108 2.388 -17.551 1.00 0.00 WT1 H ATOM 24642 H2 TIP3 8467 13.757 -9.098 -1.306 1.00 0.00 WT1 H ATOM 24643 OH2 TIP3 8468 3.585 0.174 -3.152 1.00 0.00 WT1 O ATOM 24644 H1 TIP3 8468 3.873 -1.681 2.761 1.00 0.00 WT1 H ATOM 24645 H2 TIP3 8468 10.901 2.581 -2.331 1.00 0.00 WT1 H ATOM 24646 OH2 TIP3 8469 -0.848 -1.922 1.095 1.00 0.00 WT1 O ATOM 24647 H1 TIP3 8469 -7.541 -10.573 11.468 1.00 0.00 WT1 H ATOM 24648 H2 TIP3 8469 9.695 -5.552 -3.382 1.00 0.00 WT1 H ATOM 24649 OH2 TIP3 8470 -3.774 5.833 -1.088 1.00 0.00 WT1 O ATOM 24650 H1 TIP3 8470 -8.046 2.114 -14.232 1.00 0.00 WT1 H ATOM 24651 H2 TIP3 8470 4.561 -7.225 3.229 1.00 0.00 WT1 H ATOM 24652 OH2 TIP3 8471 1.853 -3.034 1.626 1.00 0.00 WT1 O ATOM 24653 H1 TIP3 8471 0.880 -0.891 4.247 1.00 0.00 WT1 H ATOM 24654 H2 TIP3 8471 0.437 1.758 6.472 1.00 0.00 WT1 H ATOM 24655 OH2 TIP3 8472 7.022 -1.506 -3.556 1.00 0.00 WT1 O ATOM 24656 H1 TIP3 8472 1.443 12.660 -9.307 1.00 0.00 WT1 H ATOM 24657 H2 TIP3 8472 -16.026 -11.160 -14.501 1.00 0.00 WT1 H ATOM 24658 OH2 TIP3 8473 -2.728 -1.377 -0.571 1.00 0.00 WT1 O ATOM 24659 H1 TIP3 8473 -16.086 6.859 -26.656 1.00 0.00 WT1 H ATOM 24660 H2 TIP3 8473 -4.705 1.607 -3.211 1.00 0.00 WT1 H ATOM 24661 OH2 TIP3 8474 -4.050 1.281 2.653 1.00 0.00 WT1 O ATOM 24662 H1 TIP3 8474 11.100 -6.562 -13.995 1.00 0.00 WT1 H ATOM 24663 H2 TIP3 8474 -6.597 4.176 19.661 1.00 0.00 WT1 H ATOM 24664 OH2 TIP3 8475 -0.728 7.715 -3.119 1.00 0.00 WT1 O ATOM 24665 H1 TIP3 8475 11.409 11.611 15.771 1.00 0.00 WT1 H ATOM 24666 H2 TIP3 8475 -17.654 1.134 -28.588 1.00 0.00 WT1 H ATOM 24667 OH2 TIP3 8476 -1.285 -0.473 -5.920 1.00 0.00 WT1 O ATOM 24668 H1 TIP3 8476 10.895 -13.578 -3.290 1.00 0.00 WT1 H ATOM 24669 H2 TIP3 8476 -9.486 3.576 -3.211 1.00 0.00 WT1 H ATOM 24670 OH2 TIP3 8477 -2.332 -3.958 2.170 1.00 0.00 WT1 O ATOM 24671 H1 TIP3 8477 -1.169 17.407 -1.985 1.00 0.00 WT1 H ATOM 24672 H2 TIP3 8477 -3.359 16.289 -1.389 1.00 0.00 WT1 H ATOM 24673 OH2 TIP3 8478 -2.415 -1.659 -1.388 1.00 0.00 WT1 O ATOM 24674 H1 TIP3 8478 15.878 -4.441 -13.553 1.00 0.00 WT1 H ATOM 24675 H2 TIP3 8478 -3.446 -14.132 1.577 1.00 0.00 WT1 H ATOM 24676 OH2 TIP3 8479 -1.793 3.315 1.256 1.00 0.00 WT1 O ATOM 24677 H1 TIP3 8479 -4.919 14.385 1.593 1.00 0.00 WT1 H ATOM 24678 H2 TIP3 8479 -7.631 -24.606 0.205 1.00 0.00 WT1 H ATOM 24679 OH2 TIP3 8480 -3.881 -6.137 2.238 1.00 0.00 WT1 O ATOM 24680 H1 TIP3 8480 -3.459 -10.279 0.184 1.00 0.00 WT1 H ATOM 24681 H2 TIP3 8480 12.647 -23.836 24.069 1.00 0.00 WT1 H ATOM 24682 OH2 TIP3 8481 -1.620 -0.472 -1.982 1.00 0.00 WT1 O ATOM 24683 H1 TIP3 8481 1.754 2.355 -1.657 1.00 0.00 WT1 H ATOM 24684 H2 TIP3 8481 -2.676 -3.407 -1.283 1.00 0.00 WT1 H ATOM 24685 OH2 TIP3 8482 4.666 -3.714 0.990 1.00 0.00 WT1 O ATOM 24686 H1 TIP3 8482 0.032 0.788 7.786 1.00 0.00 WT1 H ATOM 24687 H2 TIP3 8482 -2.767 -3.892 -4.525 1.00 0.00 WT1 H ATOM 24688 OH2 TIP3 8483 5.206 -3.946 -2.368 1.00 0.00 WT1 O ATOM 24689 H1 TIP3 8483 -2.721 8.909 0.711 1.00 0.00 WT1 H ATOM 24690 H2 TIP3 8483 13.735 -3.697 -1.520 1.00 0.00 WT1 H ATOM 24691 OH2 TIP3 8484 -2.351 -0.369 1.521 1.00 0.00 WT1 O ATOM 24692 H1 TIP3 8484 23.650 -2.844 4.245 1.00 0.00 WT1 H ATOM 24693 H2 TIP3 8484 -25.270 8.300 -2.482 1.00 0.00 WT1 H ATOM 24694 OH2 TIP3 8485 -4.178 1.182 1.228 1.00 0.00 WT1 O ATOM 24695 H1 TIP3 8485 -3.464 1.147 -5.916 1.00 0.00 WT1 H ATOM 24696 H2 TIP3 8485 6.015 -18.214 -15.357 1.00 0.00 WT1 H ATOM 24697 OH2 TIP3 8486 8.533 6.279 5.574 1.00 0.00 WT1 O ATOM 24698 H1 TIP3 8486 8.185 -11.536 4.762 1.00 0.00 WT1 H ATOM 24699 H2 TIP3 8486 22.597 4.719 9.024 1.00 0.00 WT1 H ATOM 24700 OH2 TIP3 8487 -0.475 4.467 3.061 1.00 0.00 WT1 O ATOM 24701 H1 TIP3 8487 -0.137 15.036 -3.240 1.00 0.00 WT1 H ATOM 24702 H2 TIP3 8487 -6.367 -16.397 -2.362 1.00 0.00 WT1 H ATOM 24703 OH2 TIP3 8488 -2.227 -0.836 4.904 1.00 0.00 WT1 O ATOM 24704 H1 TIP3 8488 -3.962 -18.032 -2.101 1.00 0.00 WT1 H ATOM 24705 H2 TIP3 8488 -17.085 -5.004 14.452 1.00 0.00 WT1 H ATOM 24706 OH2 TIP3 8489 -4.708 0.312 -2.206 1.00 0.00 WT1 O ATOM 24707 H1 TIP3 8489 -1.325 -5.399 -4.100 1.00 0.00 WT1 H ATOM 24708 H2 TIP3 8489 -0.360 8.309 0.884 1.00 0.00 WT1 H ATOM 24709 OH2 TIP3 8490 -6.879 -3.135 3.968 1.00 0.00 WT1 O ATOM 24710 H1 TIP3 8490 0.225 -10.421 10.758 1.00 0.00 WT1 H ATOM 24711 H2 TIP3 8490 -24.654 3.576 2.064 1.00 0.00 WT1 H ATOM 24712 OH2 TIP3 8491 4.661 6.227 -2.389 1.00 0.00 WT1 O ATOM 24713 H1 TIP3 8491 -19.740 1.066 -27.323 1.00 0.00 WT1 H ATOM 24714 H2 TIP3 8491 22.865 -13.746 -16.343 1.00 0.00 WT1 H ATOM 24715 OH2 TIP3 8492 0.917 5.434 4.263 1.00 0.00 WT1 O ATOM 24716 H1 TIP3 8492 17.862 2.994 11.845 1.00 0.00 WT1 H ATOM 24717 H2 TIP3 8492 -5.578 24.981 15.304 1.00 0.00 WT1 H ATOM 24718 OH2 TIP3 8493 -3.794 -2.015 -0.991 1.00 0.00 WT1 O ATOM 24719 H1 TIP3 8493 7.396 -3.448 4.875 1.00 0.00 WT1 H ATOM 24720 H2 TIP3 8493 3.531 -23.555 -3.121 1.00 0.00 WT1 H ATOM 24721 OH2 TIP3 8494 -4.143 2.028 4.342 1.00 0.00 WT1 O ATOM 24722 H1 TIP3 8494 12.604 -17.280 -13.474 1.00 0.00 WT1 H ATOM 24723 H2 TIP3 8494 16.015 -15.713 -1.170 1.00 0.00 WT1 H ATOM 24724 OH2 TIP3 8495 -0.594 0.168 -0.966 1.00 0.00 WT1 O ATOM 24725 H1 TIP3 8495 -8.057 1.885 -4.529 1.00 0.00 WT1 H ATOM 24726 H2 TIP3 8495 23.225 -11.734 16.717 1.00 0.00 WT1 H ATOM 24727 OH2 TIP3 8496 -1.641 -2.914 -4.464 1.00 0.00 WT1 O ATOM 24728 H1 TIP3 8496 -4.243 -23.263 -8.032 1.00 0.00 WT1 H ATOM 24729 H2 TIP3 8496 -5.968 -8.094 -21.275 1.00 0.00 WT1 H ATOM 24730 OH2 TIP3 8497 0.737 -3.093 2.092 1.00 0.00 WT1 O ATOM 24731 H1 TIP3 8497 0.597 -10.977 -8.127 1.00 0.00 WT1 H ATOM 24732 H2 TIP3 8497 -3.440 5.583 -5.203 1.00 0.00 WT1 H ATOM 24733 OH2 TIP3 8498 -6.124 -2.158 -0.181 1.00 0.00 WT1 O ATOM 24734 H1 TIP3 8498 -5.469 2.676 7.746 1.00 0.00 WT1 H ATOM 24735 H2 TIP3 8498 -1.509 -3.235 -10.717 1.00 0.00 WT1 H ATOM 24736 OH2 TIP3 8499 2.200 2.649 2.110 1.00 0.00 WT1 O ATOM 24737 H1 TIP3 8499 41.200 -6.341 24.385 1.00 0.00 WT1 H ATOM 24738 H2 TIP3 8499 9.352 6.138 1.137 1.00 0.00 WT1 H ATOM 24739 OH2 TIP3 8501 6.988 1.313 -5.684 1.00 0.00 WT1 O ATOM 24740 H1 TIP3 8501 5.113 21.810 6.908 1.00 0.00 WT1 H ATOM 24741 H2 TIP3 8501 7.271 5.989 -2.748 1.00 0.00 WT1 H ATOM 24742 OH2 TIP3 8502 2.356 -1.971 -2.772 1.00 0.00 WT1 O ATOM 24743 H1 TIP3 8502 1.516 -7.246 -3.612 1.00 0.00 WT1 H ATOM 24744 H2 TIP3 8502 4.208 1.356 -10.028 1.00 0.00 WT1 H ATOM 24745 OH2 TIP3 8503 2.321 -2.495 4.916 1.00 0.00 WT1 O ATOM 24746 H1 TIP3 8503 5.789 11.742 1.399 1.00 0.00 WT1 H ATOM 24747 H2 TIP3 8503 6.411 -25.756 -7.323 1.00 0.00 WT1 H ATOM 24748 OH2 TIP3 8504 -3.625 -3.376 3.726 1.00 0.00 WT1 O ATOM 24749 H1 TIP3 8504 -16.808 -8.249 24.435 1.00 0.00 WT1 H ATOM 24750 H2 TIP3 8504 19.120 -16.744 -37.518 1.00 0.00 WT1 H ATOM 24751 OH2 TIP3 8505 -1.329 -9.040 0.278 1.00 0.00 WT1 O ATOM 24752 H1 TIP3 8505 2.946 5.721 -10.355 1.00 0.00 WT1 H ATOM 24753 H2 TIP3 8505 -3.147 -2.609 17.327 1.00 0.00 WT1 H ATOM 24754 OH2 TIP3 8507 0.930 2.734 1.694 1.00 0.00 WT1 O ATOM 24755 H1 TIP3 8507 15.260 9.508 -29.557 1.00 0.00 WT1 H ATOM 24756 H2 TIP3 8507 18.749 -3.001 -6.868 1.00 0.00 WT1 H ATOM 24757 OH2 TIP3 8508 -6.464 -5.568 1.541 1.00 0.00 WT1 O ATOM 24758 H1 TIP3 8508 -18.591 -3.907 -16.405 1.00 0.00 WT1 H ATOM 24759 H2 TIP3 8508 -13.928 -8.322 13.976 1.00 0.00 WT1 H ATOM 24760 OH2 TIP3 8509 -2.852 -4.012 0.900 1.00 0.00 WT1 O ATOM 24761 H1 TIP3 8509 -18.031 2.619 12.739 1.00 0.00 WT1 H ATOM 24762 H2 TIP3 8509 11.810 9.121 -2.019 1.00 0.00 WT1 H ATOM 24763 OH2 TIP3 8510 1.383 -2.685 2.162 1.00 0.00 WT1 O ATOM 24764 H1 TIP3 8510 4.754 4.301 -8.767 1.00 0.00 WT1 H ATOM 24765 H2 TIP3 8510 -0.969 0.496 14.039 1.00 0.00 WT1 H ATOM 24766 OH2 TIP3 8511 6.320 -1.700 -5.875 1.00 0.00 WT1 O ATOM 24767 H1 TIP3 8511 -2.506 7.031 10.730 1.00 0.00 WT1 H ATOM 24768 H2 TIP3 8511 -6.788 9.748 -3.648 1.00 0.00 WT1 H ATOM 24769 OH2 TIP3 8512 -6.193 4.043 -3.850 1.00 0.00 WT1 O ATOM 24770 H1 TIP3 8512 -6.222 4.278 -4.411 1.00 0.00 WT1 H ATOM 24771 H2 TIP3 8512 -8.981 -13.173 -22.878 1.00 0.00 WT1 H ATOM 24772 OH2 TIP3 8513 -5.237 1.101 0.291 1.00 0.00 WT1 O ATOM 24773 H1 TIP3 8513 -1.219 24.012 10.946 1.00 0.00 WT1 H ATOM 24774 H2 TIP3 8513 7.196 -16.680 12.686 1.00 0.00 WT1 H ATOM 24775 OH2 TIP3 8514 -5.041 -3.130 0.801 1.00 0.00 WT1 O ATOM 24776 H1 TIP3 8514 -5.538 1.419 -0.899 1.00 0.00 WT1 H ATOM 24777 H2 TIP3 8514 4.124 -4.980 1.143 1.00 0.00 WT1 H ATOM 24778 OH2 TIP3 8515 3.312 2.665 5.939 1.00 0.00 WT1 O ATOM 24779 H1 TIP3 8515 11.730 1.639 2.070 1.00 0.00 WT1 H ATOM 24780 H2 TIP3 8515 3.074 -3.131 -8.060 1.00 0.00 WT1 H ATOM 24781 OH2 TIP3 8516 4.465 -10.402 4.483 1.00 0.00 WT1 O ATOM 24782 H1 TIP3 8516 11.507 7.037 -13.394 1.00 0.00 WT1 H ATOM 24783 H2 TIP3 8516 -10.477 2.001 25.127 1.00 0.00 WT1 H ATOM 24784 OH2 TIP3 8517 -2.843 -1.932 -1.019 1.00 0.00 WT1 O ATOM 24785 H1 TIP3 8517 -5.898 -31.452 5.661 1.00 0.00 WT1 H ATOM 24786 H2 TIP3 8517 -5.041 -14.768 -4.321 1.00 0.00 WT1 H ATOM 24787 OH2 TIP3 8518 6.690 4.978 -1.152 1.00 0.00 WT1 O ATOM 24788 H1 TIP3 8518 5.883 -0.299 -10.494 1.00 0.00 WT1 H ATOM 24789 H2 TIP3 8518 10.826 10.283 -2.346 1.00 0.00 WT1 H ATOM 24790 OH2 TIP3 8519 0.228 -3.125 -2.876 1.00 0.00 WT1 O ATOM 24791 H1 TIP3 8519 32.556 -4.503 8.649 1.00 0.00 WT1 H ATOM 24792 H2 TIP3 8519 4.294 0.515 -3.899 1.00 0.00 WT1 H ATOM 24793 OH2 TIP3 8520 -0.541 1.115 11.014 1.00 0.00 WT1 O ATOM 24794 H1 TIP3 8520 -19.101 6.016 -26.406 1.00 0.00 WT1 H ATOM 24795 H2 TIP3 8520 10.201 -3.058 7.272 1.00 0.00 WT1 H ATOM 24796 OH2 TIP3 8521 5.751 -2.090 -8.257 1.00 0.00 WT1 O ATOM 24797 H1 TIP3 8521 10.196 -1.464 -19.170 1.00 0.00 WT1 H ATOM 24798 H2 TIP3 8521 5.889 4.467 -0.622 1.00 0.00 WT1 H ATOM 24799 OH2 TIP3 8522 -6.909 3.312 -2.089 1.00 0.00 WT1 O ATOM 24800 H1 TIP3 8522 0.498 3.680 7.172 1.00 0.00 WT1 H ATOM 24801 H2 TIP3 8522 -18.410 -4.900 -7.075 1.00 0.00 WT1 H ATOM 24802 OH2 TIP3 8523 1.812 -7.401 3.808 1.00 0.00 WT1 O ATOM 24803 H1 TIP3 8523 21.277 -12.244 -19.028 1.00 0.00 WT1 H ATOM 24804 H2 TIP3 8523 -2.386 -9.420 -12.914 1.00 0.00 WT1 H ATOM 24805 OH2 TIP3 8524 1.558 4.770 2.290 1.00 0.00 WT1 O ATOM 24806 H1 TIP3 8524 8.771 10.796 6.288 1.00 0.00 WT1 H ATOM 24807 H2 TIP3 8524 15.302 5.758 7.135 1.00 0.00 WT1 H ATOM 24808 OH2 TIP3 8525 -4.531 -0.694 -4.526 1.00 0.00 WT1 O ATOM 24809 H1 TIP3 8525 -6.280 8.679 -1.893 1.00 0.00 WT1 H ATOM 24810 H2 TIP3 8525 11.147 22.178 -10.064 1.00 0.00 WT1 H ATOM 24811 OH2 TIP3 8526 7.496 2.633 -0.946 1.00 0.00 WT1 O ATOM 24812 H1 TIP3 8526 16.003 4.972 6.088 1.00 0.00 WT1 H ATOM 24813 H2 TIP3 8526 6.212 1.796 -7.977 1.00 0.00 WT1 H ATOM 24814 OH2 TIP3 8527 7.495 6.921 4.943 1.00 0.00 WT1 O ATOM 24815 H1 TIP3 8527 4.952 7.639 -11.587 1.00 0.00 WT1 H ATOM 24816 H2 TIP3 8527 1.702 3.941 12.865 1.00 0.00 WT1 H ATOM 24817 OH2 TIP3 8528 6.497 0.351 1.395 1.00 0.00 WT1 O ATOM 24818 H1 TIP3 8528 10.694 -1.763 12.396 1.00 0.00 WT1 H ATOM 24819 H2 TIP3 8528 -2.381 26.762 -25.197 1.00 0.00 WT1 H ATOM 24820 OH2 TIP3 8529 -2.377 2.189 3.734 1.00 0.00 WT1 O ATOM 24821 H1 TIP3 8529 -6.157 2.984 15.582 1.00 0.00 WT1 H ATOM 24822 H2 TIP3 8529 -3.255 -6.047 22.175 1.00 0.00 WT1 H ATOM 24823 OH2 TIP3 8530 0.823 7.404 -3.577 1.00 0.00 WT1 O ATOM 24824 H1 TIP3 8530 1.802 3.934 7.058 1.00 0.00 WT1 H ATOM 24825 H2 TIP3 8530 5.051 9.230 2.156 1.00 0.00 WT1 H ATOM 24826 OH2 TIP3 8531 -1.951 -3.743 -6.515 1.00 0.00 WT1 O ATOM 24827 H1 TIP3 8531 -23.989 -18.706 -19.302 1.00 0.00 WT1 H ATOM 24828 H2 TIP3 8531 7.773 8.874 30.208 1.00 0.00 WT1 H ATOM 24829 OH2 TIP3 8532 -2.834 -5.781 1.459 1.00 0.00 WT1 O ATOM 24830 H1 TIP3 8532 -4.448 -12.541 -6.247 1.00 0.00 WT1 H ATOM 24831 H2 TIP3 8532 -6.120 -4.146 7.218 1.00 0.00 WT1 H ATOM 24832 OH2 TIP3 8533 -3.710 -3.394 -3.867 1.00 0.00 WT1 O ATOM 24833 H1 TIP3 8533 0.666 -10.019 -19.301 1.00 0.00 WT1 H ATOM 24834 H2 TIP3 8533 -12.226 1.818 -1.823 1.00 0.00 WT1 H ATOM 24835 OH2 TIP3 8534 0.637 -2.562 -3.630 1.00 0.00 WT1 O ATOM 24836 H1 TIP3 8534 1.197 -1.366 1.739 1.00 0.00 WT1 H ATOM 24837 H2 TIP3 8534 6.417 -14.423 -4.597 1.00 0.00 WT1 H ATOM 24838 OH2 TIP3 8535 -4.004 1.471 -0.724 1.00 0.00 WT1 O ATOM 24839 H1 TIP3 8535 3.143 3.283 6.393 1.00 0.00 WT1 H ATOM 24840 H2 TIP3 8535 -8.577 0.537 -4.597 1.00 0.00 WT1 H ATOM 24841 OH2 TIP3 8536 3.216 7.351 2.587 1.00 0.00 WT1 O ATOM 24842 H1 TIP3 8536 7.543 4.792 8.338 1.00 0.00 WT1 H ATOM 24843 H2 TIP3 8536 -2.339 10.018 5.314 1.00 0.00 WT1 H ATOM 24844 OH2 TIP3 8538 3.002 4.230 6.834 1.00 0.00 WT1 O ATOM 24845 H1 TIP3 8538 2.434 5.014 4.254 1.00 0.00 WT1 H ATOM 24846 H2 TIP3 8538 4.542 2.616 5.953 1.00 0.00 WT1 H ATOM 24847 OH2 TIP3 8539 1.368 -3.339 -1.957 1.00 0.00 WT1 O ATOM 24848 H1 TIP3 8539 -15.199 -7.244 -1.210 1.00 0.00 WT1 H ATOM 24849 H2 TIP3 8539 6.291 11.376 10.577 1.00 0.00 WT1 H ATOM 24850 OH2 TIP3 8540 -1.394 -2.507 -8.510 1.00 0.00 WT1 O ATOM 24851 H1 TIP3 8540 -2.338 -7.989 4.678 1.00 0.00 WT1 H ATOM 24852 H2 TIP3 8540 14.162 -9.445 -10.339 1.00 0.00 WT1 H ATOM 24853 OH2 TIP3 8541 2.234 2.936 -0.855 1.00 0.00 WT1 O ATOM 24854 H1 TIP3 8541 0.917 -0.143 -0.876 1.00 0.00 WT1 H ATOM 24855 H2 TIP3 8541 0.933 2.716 -9.929 1.00 0.00 WT1 H ATOM 24856 OH2 TIP3 8542 -2.163 2.542 2.025 1.00 0.00 WT1 O ATOM 24857 H1 TIP3 8542 -14.554 9.236 8.233 1.00 0.00 WT1 H ATOM 24858 H2 TIP3 8542 5.203 0.833 0.170 1.00 0.00 WT1 H ATOM 24859 OH2 TIP3 8543 8.331 -2.063 1.743 1.00 0.00 WT1 O ATOM 24860 H1 TIP3 8543 6.529 -11.716 2.219 1.00 0.00 WT1 H ATOM 24861 H2 TIP3 8543 14.827 -1.766 -1.516 1.00 0.00 WT1 H ATOM 24862 OH2 TIP3 8544 4.648 -1.018 -0.073 1.00 0.00 WT1 O ATOM 24863 H1 TIP3 8544 -8.187 -18.660 -5.343 1.00 0.00 WT1 H ATOM 24864 H2 TIP3 8544 11.023 0.332 2.645 1.00 0.00 WT1 H ATOM 24865 OH2 TIP3 8545 8.450 0.630 4.436 1.00 0.00 WT1 O ATOM 24866 H1 TIP3 8545 17.230 7.105 6.628 1.00 0.00 WT1 H ATOM 24867 H2 TIP3 8545 -3.270 -6.006 0.398 1.00 0.00 WT1 H ATOM 24868 OH2 TIP3 8546 1.246 0.059 1.049 1.00 0.00 WT1 O ATOM 24869 H1 TIP3 8546 7.961 10.222 8.571 1.00 0.00 WT1 H ATOM 24870 H2 TIP3 8546 -14.088 -7.031 5.136 1.00 0.00 WT1 H ATOM 24871 OH2 TIP3 8547 -2.222 -2.525 0.071 1.00 0.00 WT1 O ATOM 24872 H1 TIP3 8547 -9.370 6.302 1.028 1.00 0.00 WT1 H ATOM 24873 H2 TIP3 8547 3.952 -1.014 9.157 1.00 0.00 WT1 H ATOM 24874 OH2 TIP3 8548 -6.041 4.241 -0.440 1.00 0.00 WT1 O ATOM 24875 H1 TIP3 8548 -2.919 -0.306 0.852 1.00 0.00 WT1 H ATOM 24876 H2 TIP3 8548 -9.776 9.620 -1.447 1.00 0.00 WT1 H ATOM 24877 OH2 TIP3 8549 3.626 -8.159 5.435 1.00 0.00 WT1 O ATOM 24878 H1 TIP3 8549 -3.460 -15.721 7.172 1.00 0.00 WT1 H ATOM 24879 H2 TIP3 8549 9.198 4.388 7.548 1.00 0.00 WT1 H ATOM 24880 OH2 TIP3 8550 3.621 -5.259 -2.082 1.00 0.00 WT1 O ATOM 24881 H1 TIP3 8550 0.973 12.601 11.520 1.00 0.00 WT1 H ATOM 24882 H2 TIP3 8550 3.425 9.730 -28.145 1.00 0.00 WT1 H ATOM 24883 OH2 TIP3 8551 3.935 -1.423 -2.005 1.00 0.00 WT1 O ATOM 24884 H1 TIP3 8551 10.513 -3.676 9.453 1.00 0.00 WT1 H ATOM 24885 H2 TIP3 8551 -5.560 -0.613 0.854 1.00 0.00 WT1 H ATOM 24886 OH2 TIP3 8552 3.922 0.189 7.188 1.00 0.00 WT1 O ATOM 24887 H1 TIP3 8552 27.778 -31.657 3.973 1.00 0.00 WT1 H ATOM 24888 H2 TIP3 8552 -13.130 -21.181 12.475 1.00 0.00 WT1 H ATOM 24889 OH2 TIP3 8553 -1.909 -4.011 5.017 1.00 0.00 WT1 O ATOM 24890 H1 TIP3 8553 1.869 0.179 -0.739 1.00 0.00 WT1 H ATOM 24891 H2 TIP3 8553 -6.488 -14.523 21.797 1.00 0.00 WT1 H ATOM 24892 OH2 TIP3 8554 1.343 0.051 2.802 1.00 0.00 WT1 O ATOM 24893 H1 TIP3 8554 13.390 -5.050 11.208 1.00 0.00 WT1 H ATOM 24894 H2 TIP3 8554 -8.533 -8.633 2.144 1.00 0.00 WT1 H ATOM 24895 OH2 TIP3 8555 1.052 3.145 0.188 1.00 0.00 WT1 O ATOM 24896 H1 TIP3 8555 6.521 -5.645 -17.478 1.00 0.00 WT1 H ATOM 24897 H2 TIP3 8555 22.989 23.837 -44.018 1.00 0.00 WT1 H ATOM 24898 OH2 TIP3 8556 -2.336 3.123 -0.044 1.00 0.00 WT1 O ATOM 24899 H1 TIP3 8556 1.393 3.671 0.870 1.00 0.00 WT1 H ATOM 24900 H2 TIP3 8556 -2.470 -0.294 -1.995 1.00 0.00 WT1 H ATOM 24901 OH2 TIP3 8557 1.049 4.598 -1.032 1.00 0.00 WT1 O ATOM 24902 H1 TIP3 8557 -7.830 2.182 -14.500 1.00 0.00 WT1 H ATOM 24903 H2 TIP3 8557 -11.026 -7.393 -11.076 1.00 0.00 WT1 H ATOM 24904 OH2 TIP3 8558 -7.117 -7.762 9.156 1.00 0.00 WT1 O ATOM 24905 H1 TIP3 8558 -7.158 -6.494 16.458 1.00 0.00 WT1 H ATOM 24906 H2 TIP3 8558 -7.345 -13.402 -12.511 1.00 0.00 WT1 H ATOM 24907 OH2 TIP3 8559 -4.136 -0.322 0.198 1.00 0.00 WT1 O ATOM 24908 H1 TIP3 8559 6.532 -8.848 9.901 1.00 0.00 WT1 H ATOM 24909 H2 TIP3 8559 -18.776 -1.762 8.119 1.00 0.00 WT1 H ATOM 24910 OH2 TIP3 8560 -1.441 -1.808 0.993 1.00 0.00 WT1 O ATOM 24911 H1 TIP3 8560 -12.382 -3.813 -1.322 1.00 0.00 WT1 H ATOM 24912 H2 TIP3 8560 1.097 -0.046 -8.553 1.00 0.00 WT1 H ATOM 24913 OH2 TIP3 8561 6.709 7.075 4.880 1.00 0.00 WT1 O ATOM 24914 H1 TIP3 8561 1.081 -6.293 0.917 1.00 0.00 WT1 H ATOM 24915 H2 TIP3 8561 0.851 8.251 -13.841 1.00 0.00 WT1 H ATOM 24916 OH2 TIP3 8562 -1.654 -1.823 -3.184 1.00 0.00 WT1 O ATOM 24917 H1 TIP3 8562 -14.885 7.347 2.784 1.00 0.00 WT1 H ATOM 24918 H2 TIP3 8562 -0.483 -14.899 -15.261 1.00 0.00 WT1 H ATOM 24919 OH2 TIP3 8563 -2.288 -4.286 -1.528 1.00 0.00 WT1 O ATOM 24920 H1 TIP3 8563 5.429 5.094 11.475 1.00 0.00 WT1 H ATOM 24921 H2 TIP3 8563 12.423 -13.352 -7.567 1.00 0.00 WT1 H ATOM 24922 OH2 TIP3 8565 0.813 -4.842 -1.493 1.00 0.00 WT1 O ATOM 24923 H1 TIP3 8565 0.260 -15.801 0.262 1.00 0.00 WT1 H ATOM 24924 H2 TIP3 8565 8.267 2.719 22.717 1.00 0.00 WT1 H ATOM 24925 OH2 TIP3 8566 -4.209 -0.284 -0.179 1.00 0.00 WT1 O ATOM 24926 H1 TIP3 8566 0.534 2.855 -3.817 1.00 0.00 WT1 H ATOM 24927 H2 TIP3 8566 -6.458 4.608 -6.836 1.00 0.00 WT1 H ATOM 24928 OH2 TIP3 8567 1.043 -3.771 3.120 1.00 0.00 WT1 O ATOM 24929 H1 TIP3 8567 -3.225 -2.409 1.879 1.00 0.00 WT1 H ATOM 24930 H2 TIP3 8567 5.258 3.442 7.807 1.00 0.00 WT1 H ATOM 24931 OH2 TIP3 8569 -2.146 1.358 -0.561 1.00 0.00 WT1 O ATOM 24932 H1 TIP3 8569 3.119 5.220 2.190 1.00 0.00 WT1 H ATOM 24933 H2 TIP3 8569 -9.419 7.314 8.714 1.00 0.00 WT1 H ATOM 24934 OH2 TIP3 8571 0.387 0.790 -1.000 1.00 0.00 WT1 O ATOM 24935 H1 TIP3 8571 -5.813 -3.529 1.965 1.00 0.00 WT1 H ATOM 24936 H2 TIP3 8571 -7.894 10.576 16.475 1.00 0.00 WT1 H ATOM 24937 OH2 TIP3 8572 -2.736 8.055 -2.263 1.00 0.00 WT1 O ATOM 24938 H1 TIP3 8572 0.696 15.336 -9.672 1.00 0.00 WT1 H ATOM 24939 H2 TIP3 8572 2.736 6.855 -4.426 1.00 0.00 WT1 H ATOM 24940 OH2 TIP3 8573 3.996 -3.918 5.714 1.00 0.00 WT1 O ATOM 24941 H1 TIP3 8573 -3.892 -4.193 -1.739 1.00 0.00 WT1 H ATOM 24942 H2 TIP3 8573 17.113 3.109 12.534 1.00 0.00 WT1 H ATOM 24943 OH2 TIP3 8574 0.708 0.216 -2.088 1.00 0.00 WT1 O ATOM 24944 H1 TIP3 8574 -2.362 -0.945 3.463 1.00 0.00 WT1 H ATOM 24945 H2 TIP3 8574 -9.106 8.620 14.456 1.00 0.00 WT1 H ATOM 24946 OH2 TIP3 8576 -0.237 5.026 0.736 1.00 0.00 WT1 O ATOM 24947 H1 TIP3 8576 2.504 3.016 -0.718 1.00 0.00 WT1 H ATOM 24948 H2 TIP3 8576 -18.382 7.944 -1.351 1.00 0.00 WT1 H ATOM 24949 OH2 TIP3 8577 -0.635 6.296 5.184 1.00 0.00 WT1 O ATOM 24950 H1 TIP3 8577 15.780 -2.718 7.745 1.00 0.00 WT1 H ATOM 24951 H2 TIP3 8577 0.310 -10.530 1.898 1.00 0.00 WT1 H ATOM 24952 OH2 TIP3 8578 5.645 0.818 2.505 1.00 0.00 WT1 O ATOM 24953 H1 TIP3 8578 17.613 14.111 -1.564 1.00 0.00 WT1 H ATOM 24954 H2 TIP3 8578 -10.499 3.090 -11.372 1.00 0.00 WT1 H ATOM 24955 OH2 TIP3 8579 5.370 -4.000 -2.033 1.00 0.00 WT1 O ATOM 24956 H1 TIP3 8579 12.035 -8.489 -8.084 1.00 0.00 WT1 H ATOM 24957 H2 TIP3 8579 9.117 -2.395 5.001 1.00 0.00 WT1 H ATOM 24958 OH2 TIP3 8580 2.373 0.723 0.959 1.00 0.00 WT1 O ATOM 24959 H1 TIP3 8580 -4.132 12.444 -6.431 1.00 0.00 WT1 H ATOM 24960 H2 TIP3 8580 6.770 -23.294 12.518 1.00 0.00 WT1 H ATOM 24961 OH2 TIP3 8581 0.254 0.560 3.007 1.00 0.00 WT1 O ATOM 24962 H1 TIP3 8581 -1.553 2.171 6.849 1.00 0.00 WT1 H ATOM 24963 H2 TIP3 8581 -3.307 5.314 7.687 1.00 0.00 WT1 H ATOM 24964 OH2 TIP3 8582 -1.983 5.775 -3.042 1.00 0.00 WT1 O ATOM 24965 H1 TIP3 8582 -6.469 4.023 -4.921 1.00 0.00 WT1 H ATOM 24966 H2 TIP3 8582 -15.871 18.074 6.188 1.00 0.00 WT1 H ATOM 24967 OH2 TIP3 8583 5.634 -5.661 7.972 1.00 0.00 WT1 O ATOM 24968 H1 TIP3 8583 13.338 -10.173 0.599 1.00 0.00 WT1 H ATOM 24969 H2 TIP3 8583 9.543 -0.594 12.356 1.00 0.00 WT1 H ATOM 24970 OH2 TIP3 8584 -3.010 3.324 5.842 1.00 0.00 WT1 O ATOM 24971 H1 TIP3 8584 10.666 -6.854 7.010 1.00 0.00 WT1 H ATOM 24972 H2 TIP3 8584 -10.444 2.823 21.097 1.00 0.00 WT1 H ATOM 24973 OH2 TIP3 8585 2.993 -5.895 2.320 1.00 0.00 WT1 O ATOM 24974 H1 TIP3 8585 7.714 0.134 7.736 1.00 0.00 WT1 H ATOM 24975 H2 TIP3 8585 0.075 -25.031 14.568 1.00 0.00 WT1 H ATOM 24976 OH2 TIP3 8586 -0.093 3.922 -4.085 1.00 0.00 WT1 O ATOM 24977 H1 TIP3 8586 -1.980 6.686 -29.431 1.00 0.00 WT1 H ATOM 24978 H2 TIP3 8586 0.738 5.449 -13.062 1.00 0.00 WT1 H ATOM 24979 OH2 TIP3 8587 3.641 1.900 2.035 1.00 0.00 WT1 O ATOM 24980 H1 TIP3 8587 0.284 -1.902 2.656 1.00 0.00 WT1 H ATOM 24981 H2 TIP3 8587 2.268 0.339 -2.780 1.00 0.00 WT1 H ATOM 24982 OH2 TIP3 8588 -5.683 -1.912 -3.430 1.00 0.00 WT1 O ATOM 24983 H1 TIP3 8588 -15.407 -3.911 14.353 1.00 0.00 WT1 H ATOM 24984 H2 TIP3 8588 -14.614 -5.274 -18.607 1.00 0.00 WT1 H ATOM 24985 OH2 TIP3 8589 2.460 -6.181 -2.342 1.00 0.00 WT1 O ATOM 24986 H1 TIP3 8589 -4.571 5.021 -14.722 1.00 0.00 WT1 H ATOM 24987 H2 TIP3 8589 -4.703 -6.828 0.782 1.00 0.00 WT1 H ATOM 24988 OH2 TIP3 8590 5.787 5.267 -3.288 1.00 0.00 WT1 O ATOM 24989 H1 TIP3 8590 19.189 15.455 -9.703 1.00 0.00 WT1 H ATOM 24990 H2 TIP3 8590 -7.569 -4.408 -7.262 1.00 0.00 WT1 H ATOM 24991 OH2 TIP3 8591 -0.267 1.456 0.806 1.00 0.00 WT1 O ATOM 24992 H1 TIP3 8591 -0.085 -4.624 -1.432 1.00 0.00 WT1 H ATOM 24993 H2 TIP3 8591 -7.590 -9.115 1.698 1.00 0.00 WT1 H ATOM 24994 OH2 TIP3 8592 1.537 -4.030 0.535 1.00 0.00 WT1 O ATOM 24995 H1 TIP3 8592 15.876 -8.579 -7.532 1.00 0.00 WT1 H ATOM 24996 H2 TIP3 8592 -7.385 11.610 -5.405 1.00 0.00 WT1 H ATOM 24997 OH2 TIP3 8593 -1.236 0.439 -0.895 1.00 0.00 WT1 O ATOM 24998 H1 TIP3 8593 -22.193 0.101 -13.342 1.00 0.00 WT1 H ATOM 24999 H2 TIP3 8593 11.713 20.228 17.703 1.00 0.00 WT1 H ATOM 25000 OH2 TIP3 8594 2.477 -2.446 -3.867 1.00 0.00 WT1 O ATOM 25001 H1 TIP3 8594 8.100 28.001 -8.422 1.00 0.00 WT1 H ATOM 25002 H2 TIP3 8594 3.608 11.087 6.517 1.00 0.00 WT1 H ATOM 25003 OH2 TIP3 8595 -0.077 -5.528 -5.871 1.00 0.00 WT1 O ATOM 25004 H1 TIP3 8595 -1.993 1.694 -14.115 1.00 0.00 WT1 H ATOM 25005 H2 TIP3 8595 11.047 -8.227 -7.466 1.00 0.00 WT1 H ATOM 25006 OH2 TIP3 8596 -0.873 1.982 -4.737 1.00 0.00 WT1 O ATOM 25007 H1 TIP3 8596 23.762 -10.979 -3.168 1.00 0.00 WT1 H ATOM 25008 H2 TIP3 8596 -28.272 0.989 0.410 1.00 0.00 WT1 H ATOM 25009 OH2 TIP3 8597 6.543 -0.246 0.427 1.00 0.00 WT1 O ATOM 25010 H1 TIP3 8597 0.293 -11.682 -26.191 1.00 0.00 WT1 H ATOM 25011 H2 TIP3 8597 5.416 -10.480 -9.292 1.00 0.00 WT1 H ATOM 25012 OH2 TIP3 8598 2.130 0.948 0.635 1.00 0.00 WT1 O ATOM 25013 H1 TIP3 8598 5.168 18.097 -4.823 1.00 0.00 WT1 H ATOM 25014 H2 TIP3 8598 4.531 16.555 -4.603 1.00 0.00 WT1 H ATOM 25015 OH2 TIP3 8600 3.046 2.599 -1.440 1.00 0.00 WT1 O ATOM 25016 H1 TIP3 8600 -10.690 -3.670 18.834 1.00 0.00 WT1 H ATOM 25017 H2 TIP3 8600 20.603 0.395 -11.237 1.00 0.00 WT1 H ATOM 25018 OH2 TIP3 8601 -5.695 6.601 2.121 1.00 0.00 WT1 O ATOM 25019 H1 TIP3 8601 -8.090 -2.074 0.544 1.00 0.00 WT1 H ATOM 25020 H2 TIP3 8601 -30.904 -0.159 -40.576 1.00 0.00 WT1 H ATOM 25021 OH2 TIP3 8602 0.069 4.224 10.109 1.00 0.00 WT1 O ATOM 25022 H1 TIP3 8602 4.559 3.901 1.570 1.00 0.00 WT1 H ATOM 25023 H2 TIP3 8602 -0.037 -0.259 10.071 1.00 0.00 WT1 H ATOM 25024 OH2 TIP3 8603 -3.686 -2.923 0.955 1.00 0.00 WT1 O ATOM 25025 H1 TIP3 8603 -10.559 7.142 9.576 1.00 0.00 WT1 H ATOM 25026 H2 TIP3 8603 -0.439 -7.992 -7.666 1.00 0.00 WT1 H ATOM 25027 OH2 TIP3 8604 1.024 1.937 -0.493 1.00 0.00 WT1 O ATOM 25028 H1 TIP3 8604 6.332 30.332 -2.856 1.00 0.00 WT1 H ATOM 25029 H2 TIP3 8604 -4.356 17.025 1.276 1.00 0.00 WT1 H ATOM 25030 OH2 TIP3 8605 -1.717 4.487 -0.351 1.00 0.00 WT1 O ATOM 25031 H1 TIP3 8605 3.726 -1.960 3.384 1.00 0.00 WT1 H ATOM 25032 H2 TIP3 8605 7.154 8.146 4.786 1.00 0.00 WT1 H ATOM 25033 OH2 TIP3 8606 1.648 4.680 3.227 1.00 0.00 WT1 O ATOM 25034 H1 TIP3 8606 8.065 6.194 -1.866 1.00 0.00 WT1 H ATOM 25035 H2 TIP3 8606 -5.513 8.858 -0.835 1.00 0.00 WT1 H ATOM 25036 OH2 TIP3 8607 -3.507 0.241 -4.796 1.00 0.00 WT1 O ATOM 25037 H1 TIP3 8607 0.602 1.596 -1.449 1.00 0.00 WT1 H ATOM 25038 H2 TIP3 8607 -6.116 -3.956 -7.757 1.00 0.00 WT1 H ATOM 25039 OH2 TIP3 8608 -5.146 1.496 4.669 1.00 0.00 WT1 O ATOM 25040 H1 TIP3 8608 0.719 -7.811 4.735 1.00 0.00 WT1 H ATOM 25041 H2 TIP3 8608 2.139 -5.714 7.544 1.00 0.00 WT1 H ATOM 25042 OH2 TIP3 8609 2.242 3.366 -1.509 1.00 0.00 WT1 O ATOM 25043 H1 TIP3 8609 -15.716 -11.349 -16.011 1.00 0.00 WT1 H ATOM 25044 H2 TIP3 8609 9.538 -12.511 10.456 1.00 0.00 WT1 H ATOM 25045 OH2 TIP3 8611 3.559 1.180 -5.531 1.00 0.00 WT1 O ATOM 25046 H1 TIP3 8611 -18.697 3.558 6.085 1.00 0.00 WT1 H ATOM 25047 H2 TIP3 8611 10.701 16.713 -18.840 1.00 0.00 WT1 H ATOM 25048 OH2 TIP3 8612 1.139 0.108 2.424 1.00 0.00 WT1 O ATOM 25049 H1 TIP3 8612 1.386 14.000 3.036 1.00 0.00 WT1 H ATOM 25050 H2 TIP3 8612 -6.858 -6.448 -6.897 1.00 0.00 WT1 H ATOM 25051 OH2 TIP3 8613 0.850 -2.233 -1.626 1.00 0.00 WT1 O ATOM 25052 H1 TIP3 8613 20.091 2.915 9.800 1.00 0.00 WT1 H ATOM 25053 H2 TIP3 8613 -1.554 -5.162 -23.012 1.00 0.00 WT1 H ATOM 25054 OH2 TIP3 8614 4.072 2.105 -4.529 1.00 0.00 WT1 O ATOM 25055 H1 TIP3 8614 -3.839 1.266 20.457 1.00 0.00 WT1 H ATOM 25056 H2 TIP3 8614 3.195 2.965 -2.524 1.00 0.00 WT1 H ATOM 25057 OH2 TIP3 8615 1.933 -1.523 4.152 1.00 0.00 WT1 O ATOM 25058 H1 TIP3 8615 9.487 7.348 12.247 1.00 0.00 WT1 H ATOM 25059 H2 TIP3 8615 1.736 5.905 -12.958 1.00 0.00 WT1 H ATOM 25060 OH2 TIP3 8616 -0.820 1.403 -1.077 1.00 0.00 WT1 O ATOM 25061 H1 TIP3 8616 -11.016 12.431 -4.740 1.00 0.00 WT1 H ATOM 25062 H2 TIP3 8616 -10.103 40.375 -15.610 1.00 0.00 WT1 H ATOM 25063 OH2 TIP3 8617 -0.307 3.070 -0.942 1.00 0.00 WT1 O ATOM 25064 H1 TIP3 8617 3.535 -3.216 -16.129 1.00 0.00 WT1 H ATOM 25065 H2 TIP3 8617 -0.980 2.280 -2.480 1.00 0.00 WT1 H ATOM 25066 OH2 TIP3 8618 1.992 -6.152 -12.193 1.00 0.00 WT1 O ATOM 25067 H1 TIP3 8618 -5.821 7.460 -5.113 1.00 0.00 WT1 H ATOM 25068 H2 TIP3 8618 15.574 1.226 -17.842 1.00 0.00 WT1 H ATOM 25069 OH2 TIP3 8619 5.142 -1.497 -4.429 1.00 0.00 WT1 O ATOM 25070 H1 TIP3 8619 1.840 -75.938 5.089 1.00 0.00 WT1 H ATOM 25071 H2 TIP3 8619 9.513 -19.340 -3.624 1.00 0.00 WT1 H ATOM 25072 OH2 TIP3 8620 1.553 -1.077 -2.470 1.00 0.00 WT1 O ATOM 25073 H1 TIP3 8620 1.441 -4.706 0.632 1.00 0.00 WT1 H ATOM 25074 H2 TIP3 8620 -0.005 2.342 0.769 1.00 0.00 WT1 H ATOM 25075 OH2 TIP3 8622 6.153 -1.052 3.476 1.00 0.00 WT1 O ATOM 25076 H1 TIP3 8622 19.772 -28.467 -10.476 1.00 0.00 WT1 H ATOM 25077 H2 TIP3 8622 20.462 9.314 -6.211 1.00 0.00 WT1 H ATOM 25078 OH2 TIP3 8623 -8.387 2.009 -2.743 1.00 0.00 WT1 O ATOM 25079 H1 TIP3 8623 -47.077 17.509 -25.542 1.00 0.00 WT1 H ATOM 25080 H2 TIP3 8623 13.883 -16.559 -26.210 1.00 0.00 WT1 H ATOM 25081 OH2 TIP3 8624 5.944 -9.304 -0.264 1.00 0.00 WT1 O ATOM 25082 H1 TIP3 8624 2.699 -13.891 -12.500 1.00 0.00 WT1 H ATOM 25083 H2 TIP3 8624 4.983 4.344 -1.529 1.00 0.00 WT1 H ATOM 25084 OH2 TIP3 8625 1.421 -5.804 -0.382 1.00 0.00 WT1 O ATOM 25085 H1 TIP3 8625 0.367 -0.871 -9.255 1.00 0.00 WT1 H ATOM 25086 H2 TIP3 8625 11.044 -10.099 4.933 1.00 0.00 WT1 H ATOM 25087 OH2 TIP3 8627 -1.139 0.742 5.222 1.00 0.00 WT1 O ATOM 25088 H1 TIP3 8627 -6.351 -0.233 -6.222 1.00 0.00 WT1 H ATOM 25089 H2 TIP3 8627 -1.214 0.092 5.429 1.00 0.00 WT1 H ATOM 25090 OH2 TIP3 8628 -0.995 -0.594 -0.439 1.00 0.00 WT1 O ATOM 25091 H1 TIP3 8628 -1.220 -0.026 -1.973 1.00 0.00 WT1 H ATOM 25092 H2 TIP3 8628 -1.568 -2.765 -0.154 1.00 0.00 WT1 H ATOM 25093 OH2 TIP3 8629 0.128 0.339 -0.689 1.00 0.00 WT1 O ATOM 25094 H1 TIP3 8629 -22.536 12.371 -3.488 1.00 0.00 WT1 H ATOM 25095 H2 TIP3 8629 -11.448 5.130 -4.671 1.00 0.00 WT1 H ATOM 25096 OH2 TIP3 8630 5.095 -2.029 -0.432 1.00 0.00 WT1 O ATOM 25097 H1 TIP3 8630 -21.203 9.236 -6.381 1.00 0.00 WT1 H ATOM 25098 H2 TIP3 8630 -1.390 -4.481 -16.203 1.00 0.00 WT1 H ATOM 25099 OH2 TIP3 8631 -3.177 0.333 2.765 1.00 0.00 WT1 O ATOM 25100 H1 TIP3 8631 3.717 -6.325 -6.397 1.00 0.00 WT1 H ATOM 25101 H2 TIP3 8631 5.695 -7.834 -10.680 1.00 0.00 WT1 H ATOM 25102 OH2 TIP3 8633 0.389 1.950 8.026 1.00 0.00 WT1 O ATOM 25103 H1 TIP3 8633 -10.305 13.470 -0.967 1.00 0.00 WT1 H ATOM 25104 H2 TIP3 8633 3.042 -8.111 -13.745 1.00 0.00 WT1 H ATOM 25105 OH2 TIP3 8634 2.438 -1.590 -1.621 1.00 0.00 WT1 O ATOM 25106 H1 TIP3 8634 24.257 -16.780 -7.138 1.00 0.00 WT1 H ATOM 25107 H2 TIP3 8634 17.052 -16.063 -7.342 1.00 0.00 WT1 H ATOM 25108 OH2 TIP3 8635 1.239 -3.945 2.876 1.00 0.00 WT1 O ATOM 25109 H1 TIP3 8635 17.946 -0.549 -6.158 1.00 0.00 WT1 H ATOM 25110 H2 TIP3 8635 -11.835 -11.290 16.961 1.00 0.00 WT1 H ATOM 25111 OH2 TIP3 8636 -4.825 -2.119 2.127 1.00 0.00 WT1 O ATOM 25112 H1 TIP3 8636 -1.499 6.245 5.562 1.00 0.00 WT1 H ATOM 25113 H2 TIP3 8636 -4.904 -2.877 5.797 1.00 0.00 WT1 H ATOM 25114 OH2 TIP3 8637 -5.840 7.414 -0.014 1.00 0.00 WT1 O ATOM 25115 H1 TIP3 8637 -2.516 -9.390 -10.057 1.00 0.00 WT1 H ATOM 25116 H2 TIP3 8637 16.739 21.072 6.802 1.00 0.00 WT1 H ATOM 25117 OH2 TIP3 8638 3.882 -5.107 -5.559 1.00 0.00 WT1 O ATOM 25118 H1 TIP3 8638 8.345 33.968 9.794 1.00 0.00 WT1 H ATOM 25119 H2 TIP3 8638 35.760 4.346 -22.391 1.00 0.00 WT1 H ATOM 25120 OH2 TIP3 8639 -5.075 7.155 2.490 1.00 0.00 WT1 O ATOM 25121 H1 TIP3 8639 -6.557 -2.273 8.879 1.00 0.00 WT1 H ATOM 25122 H2 TIP3 8639 -16.410 8.510 -1.655 1.00 0.00 WT1 H ATOM 25123 OH2 TIP3 8640 -0.345 -3.827 1.064 1.00 0.00 WT1 O ATOM 25124 H1 TIP3 8640 -3.155 1.942 2.462 1.00 0.00 WT1 H ATOM 25125 H2 TIP3 8640 -8.605 15.233 6.797 1.00 0.00 WT1 H ATOM 25126 OH2 TIP3 8641 -7.004 1.956 6.064 1.00 0.00 WT1 O ATOM 25127 H1 TIP3 8641 5.475 -18.031 24.933 1.00 0.00 WT1 H ATOM 25128 H2 TIP3 8641 0.363 -13.225 22.032 1.00 0.00 WT1 H ATOM 25129 OH2 TIP3 8642 4.170 5.249 -3.352 1.00 0.00 WT1 O ATOM 25130 H1 TIP3 8642 27.368 -11.455 -15.016 1.00 0.00 WT1 H ATOM 25131 H2 TIP3 8642 9.756 4.016 -9.114 1.00 0.00 WT1 H ATOM 25132 OH2 TIP3 8643 -2.581 3.153 4.284 1.00 0.00 WT1 O ATOM 25133 H1 TIP3 8643 4.077 6.861 4.498 1.00 0.00 WT1 H ATOM 25134 H2 TIP3 8643 15.369 7.657 7.489 1.00 0.00 WT1 H ATOM 25135 OH2 TIP3 8644 -1.816 -3.431 2.222 1.00 0.00 WT1 O ATOM 25136 H1 TIP3 8644 -4.817 -2.505 -3.943 1.00 0.00 WT1 H ATOM 25137 H2 TIP3 8644 -0.356 -7.363 13.444 1.00 0.00 WT1 H ATOM 25138 OH2 TIP3 8645 3.010 1.833 2.932 1.00 0.00 WT1 O ATOM 25139 H1 TIP3 8645 -1.507 -20.000 22.354 1.00 0.00 WT1 H ATOM 25140 H2 TIP3 8645 -5.076 0.437 -4.866 1.00 0.00 WT1 H ATOM 25141 OH2 TIP3 8646 -2.025 -7.903 -0.340 1.00 0.00 WT1 O ATOM 25142 H1 TIP3 8646 9.616 -21.788 -15.643 1.00 0.00 WT1 H ATOM 25143 H2 TIP3 8646 -33.582 -22.331 13.355 1.00 0.00 WT1 H ATOM 25144 OH2 TIP3 8647 7.233 3.030 3.679 1.00 0.00 WT1 O ATOM 25145 H1 TIP3 8647 5.390 -11.479 -15.164 1.00 0.00 WT1 H ATOM 25146 H2 TIP3 8647 13.290 15.149 24.693 1.00 0.00 WT1 H ATOM 25147 OH2 TIP3 8648 3.561 1.424 1.583 1.00 0.00 WT1 O ATOM 25148 H1 TIP3 8648 5.498 -6.619 3.352 1.00 0.00 WT1 H ATOM 25149 H2 TIP3 8648 2.047 5.874 6.432 1.00 0.00 WT1 H ATOM 25150 OH2 TIP3 8649 5.237 -3.566 2.780 1.00 0.00 WT1 O ATOM 25151 H1 TIP3 8649 1.625 -18.243 10.207 1.00 0.00 WT1 H ATOM 25152 H2 TIP3 8649 4.675 -5.854 3.203 1.00 0.00 WT1 H ATOM 25153 OH2 TIP3 8650 -5.691 3.764 -2.182 1.00 0.00 WT1 O ATOM 25154 H1 TIP3 8650 -6.451 -6.508 12.418 1.00 0.00 WT1 H ATOM 25155 H2 TIP3 8650 -22.290 5.921 -7.016 1.00 0.00 WT1 H ATOM 25156 OH2 TIP3 8652 0.527 -3.517 2.145 1.00 0.00 WT1 O ATOM 25157 H1 TIP3 8652 -14.930 -10.587 -2.424 1.00 0.00 WT1 H ATOM 25158 H2 TIP3 8652 9.285 -6.177 0.460 1.00 0.00 WT1 H ATOM 25159 OH2 TIP3 8653 7.802 -1.842 -4.803 1.00 0.00 WT1 O ATOM 25160 H1 TIP3 8653 3.520 -8.911 22.675 1.00 0.00 WT1 H ATOM 25161 H2 TIP3 8653 23.035 24.271 -2.236 1.00 0.00 WT1 H ATOM 25162 OH2 TIP3 8654 -1.650 0.296 2.249 1.00 0.00 WT1 O ATOM 25163 H1 TIP3 8654 -3.090 -7.681 -9.918 1.00 0.00 WT1 H ATOM 25164 H2 TIP3 8654 7.321 5.979 -6.694 1.00 0.00 WT1 H ATOM 25165 OH2 TIP3 8655 0.384 3.428 8.309 1.00 0.00 WT1 O ATOM 25166 H1 TIP3 8655 3.086 7.996 24.084 1.00 0.00 WT1 H ATOM 25167 H2 TIP3 8655 2.364 8.702 -3.868 1.00 0.00 WT1 H ATOM 25168 OH2 TIP3 8656 -1.159 -0.618 -6.498 1.00 0.00 WT1 O ATOM 25169 H1 TIP3 8656 9.723 -10.866 -4.475 1.00 0.00 WT1 H ATOM 25170 H2 TIP3 8656 -1.860 0.440 -4.482 1.00 0.00 WT1 H ATOM 25171 OH2 TIP3 8657 -3.546 -0.874 -5.047 1.00 0.00 WT1 O ATOM 25172 H1 TIP3 8657 -4.202 -6.394 -15.344 1.00 0.00 WT1 H ATOM 25173 H2 TIP3 8657 -6.320 -2.031 -0.150 1.00 0.00 WT1 H ATOM 25174 OH2 TIP3 8658 0.442 -3.612 4.584 1.00 0.00 WT1 O ATOM 25175 H1 TIP3 8658 -9.629 -16.407 23.227 1.00 0.00 WT1 H ATOM 25176 H2 TIP3 8658 0.108 25.223 -6.301 1.00 0.00 WT1 H ATOM 25177 OH2 TIP3 8659 -6.914 -0.098 -1.829 1.00 0.00 WT1 O ATOM 25178 H1 TIP3 8659 3.374 -1.869 9.096 1.00 0.00 WT1 H ATOM 25179 H2 TIP3 8659 -30.277 -11.288 18.042 1.00 0.00 WT1 H ATOM 25180 OH2 TIP3 8660 4.422 -0.254 -2.291 1.00 0.00 WT1 O ATOM 25181 H1 TIP3 8660 3.427 0.312 0.305 1.00 0.00 WT1 H ATOM 25182 H2 TIP3 8660 -0.491 0.329 -5.140 1.00 0.00 WT1 H ATOM 25183 OH2 TIP3 8662 0.531 5.966 6.386 1.00 0.00 WT1 O ATOM 25184 H1 TIP3 8662 -22.456 -13.837 -8.302 1.00 0.00 WT1 H ATOM 25185 H2 TIP3 8662 17.693 3.317 -6.603 1.00 0.00 WT1 H ATOM 25186 OH2 TIP3 8663 0.483 0.610 11.540 1.00 0.00 WT1 O ATOM 25187 H1 TIP3 8663 1.311 1.644 11.316 1.00 0.00 WT1 H ATOM 25188 H2 TIP3 8663 -5.637 4.110 0.153 1.00 0.00 WT1 H ATOM 25189 OH2 TIP3 8665 2.073 0.853 -3.567 1.00 0.00 WT1 O ATOM 25190 H1 TIP3 8665 -1.228 14.807 20.581 1.00 0.00 WT1 H ATOM 25191 H2 TIP3 8665 0.704 7.977 7.552 1.00 0.00 WT1 H ATOM 25192 OH2 TIP3 8666 -4.786 -2.647 -3.272 1.00 0.00 WT1 O ATOM 25193 H1 TIP3 8666 38.097 1.985 8.221 1.00 0.00 WT1 H ATOM 25194 H2 TIP3 8666 2.316 -6.562 -8.286 1.00 0.00 WT1 H ATOM 25195 OH2 TIP3 8667 0.861 -0.954 -1.793 1.00 0.00 WT1 O ATOM 25196 H1 TIP3 8667 19.976 5.827 2.483 1.00 0.00 WT1 H ATOM 25197 H2 TIP3 8667 16.439 6.539 -1.330 1.00 0.00 WT1 H ATOM 25198 OH2 TIP3 8668 3.979 -7.296 6.659 1.00 0.00 WT1 O ATOM 25199 H1 TIP3 8668 0.406 -3.619 4.064 1.00 0.00 WT1 H ATOM 25200 H2 TIP3 8668 -34.291 -6.242 -6.421 1.00 0.00 WT1 H ATOM 25201 OH2 TIP3 8669 -2.878 -0.375 4.061 1.00 0.00 WT1 O ATOM 25202 H1 TIP3 8669 4.756 -9.813 11.154 1.00 0.00 WT1 H ATOM 25203 H2 TIP3 8669 -7.750 5.821 -2.818 1.00 0.00 WT1 H ATOM 25204 OH2 TIP3 8670 -1.570 -0.583 -3.997 1.00 0.00 WT1 O ATOM 25205 H1 TIP3 8670 5.952 -5.303 -16.476 1.00 0.00 WT1 H ATOM 25206 H2 TIP3 8670 -1.648 -3.153 -1.864 1.00 0.00 WT1 H ATOM 25207 OH2 TIP3 8671 -4.811 2.217 -2.157 1.00 0.00 WT1 O ATOM 25208 H1 TIP3 8671 -8.677 1.024 9.000 1.00 0.00 WT1 H ATOM 25209 H2 TIP3 8671 -2.789 8.551 -6.127 1.00 0.00 WT1 H ATOM 25210 OH2 TIP3 8672 -1.090 3.269 3.802 1.00 0.00 WT1 O ATOM 25211 H1 TIP3 8672 -8.401 7.455 0.730 1.00 0.00 WT1 H ATOM 25212 H2 TIP3 8672 -3.113 4.415 7.264 1.00 0.00 WT1 H ATOM 25213 OH2 TIP3 8673 -0.323 2.596 -4.374 1.00 0.00 WT1 O ATOM 25214 H1 TIP3 8673 26.881 6.992 -34.072 1.00 0.00 WT1 H ATOM 25215 H2 TIP3 8673 4.560 12.844 16.215 1.00 0.00 WT1 H ATOM 25216 OH2 TIP3 8674 -1.703 -1.230 -2.232 1.00 0.00 WT1 O ATOM 25217 H1 TIP3 8674 13.900 -7.961 4.115 1.00 0.00 WT1 H ATOM 25218 H2 TIP3 8674 -31.905 10.170 16.189 1.00 0.00 WT1 H ATOM 25219 OH2 TIP3 8675 -0.349 1.431 -6.339 1.00 0.00 WT1 O ATOM 25220 H1 TIP3 8675 -1.465 14.445 -10.269 1.00 0.00 WT1 H ATOM 25221 H2 TIP3 8675 5.750 -8.951 1.613 1.00 0.00 WT1 H ATOM 25222 OH2 TIP3 8676 -0.819 3.324 -0.941 1.00 0.00 WT1 O ATOM 25223 H1 TIP3 8676 3.293 24.279 0.509 1.00 0.00 WT1 H ATOM 25224 H2 TIP3 8676 -4.745 -15.631 -1.132 1.00 0.00 WT1 H ATOM 25225 OH2 TIP3 8677 -2.341 -6.642 -4.157 1.00 0.00 WT1 O ATOM 25226 H1 TIP3 8677 -1.746 -30.120 11.588 1.00 0.00 WT1 H ATOM 25227 H2 TIP3 8677 10.070 11.955 -8.707 1.00 0.00 WT1 H ATOM 25228 OH2 TIP3 8678 4.015 -0.718 2.506 1.00 0.00 WT1 O ATOM 25229 H1 TIP3 8678 3.032 7.544 -9.877 1.00 0.00 WT1 H ATOM 25230 H2 TIP3 8678 -0.193 -3.486 0.507 1.00 0.00 WT1 H ATOM 25231 OH2 TIP3 8679 1.619 3.417 2.593 1.00 0.00 WT1 O ATOM 25232 H1 TIP3 8679 21.214 11.885 11.449 1.00 0.00 WT1 H ATOM 25233 H2 TIP3 8679 36.833 -2.540 12.097 1.00 0.00 WT1 H ATOM 25234 OH2 TIP3 8680 1.244 4.341 4.365 1.00 0.00 WT1 O ATOM 25235 H1 TIP3 8680 -12.958 11.792 -16.971 1.00 0.00 WT1 H ATOM 25236 H2 TIP3 8680 2.614 8.223 -16.859 1.00 0.00 WT1 H ATOM 25237 OH2 TIP3 8681 3.200 0.443 -0.058 1.00 0.00 WT1 O ATOM 25238 H1 TIP3 8681 9.403 -2.428 -11.758 1.00 0.00 WT1 H ATOM 25239 H2 TIP3 8681 2.747 3.344 0.892 1.00 0.00 WT1 H ATOM 25240 OH2 TIP3 8682 -0.996 -1.771 -1.294 1.00 0.00 WT1 O ATOM 25241 H1 TIP3 8682 -11.820 -1.637 -1.685 1.00 0.00 WT1 H ATOM 25242 H2 TIP3 8682 2.803 3.942 -7.801 1.00 0.00 WT1 H ATOM 25243 OH2 TIP3 8683 -4.934 6.075 -8.405 1.00 0.00 WT1 O ATOM 25244 H1 TIP3 8683 0.288 2.423 -1.495 1.00 0.00 WT1 H ATOM 25245 H2 TIP3 8683 -8.500 13.055 -18.525 1.00 0.00 WT1 H ATOM 25246 OH2 TIP3 8684 1.745 1.211 4.728 1.00 0.00 WT1 O ATOM 25247 H1 TIP3 8684 -5.037 -11.394 -22.981 1.00 0.00 WT1 H ATOM 25248 H2 TIP3 8684 -18.697 25.865 8.118 1.00 0.00 WT1 H ATOM 25249 OH2 TIP3 8685 -1.929 1.624 -1.411 1.00 0.00 WT1 O ATOM 25250 H1 TIP3 8685 0.092 13.986 16.804 1.00 0.00 WT1 H ATOM 25251 H2 TIP3 8685 -32.908 8.735 -31.215 1.00 0.00 WT1 H ATOM 25252 OH2 TIP3 8686 -10.567 9.454 -2.118 1.00 0.00 WT1 O ATOM 25253 H1 TIP3 8686 -19.208 -3.722 -16.455 1.00 0.00 WT1 H ATOM 25254 H2 TIP3 8686 7.089 21.509 14.449 1.00 0.00 WT1 H ATOM 25255 OH2 TIP3 8687 6.681 -4.040 2.824 1.00 0.00 WT1 O ATOM 25256 H1 TIP3 8687 12.995 15.395 26.953 1.00 0.00 WT1 H ATOM 25257 H2 TIP3 8687 -6.475 17.762 8.227 1.00 0.00 WT1 H ATOM 25258 OH2 TIP3 8688 -4.954 3.293 1.756 1.00 0.00 WT1 O ATOM 25259 H1 TIP3 8688 3.823 -2.867 3.562 1.00 0.00 WT1 H ATOM 25260 H2 TIP3 8688 -5.243 5.995 -10.147 1.00 0.00 WT1 H ATOM 25261 OH2 TIP3 8690 2.591 -7.041 14.484 1.00 0.00 WT1 O ATOM 25262 H1 TIP3 8690 -43.896 -3.779 7.517 1.00 0.00 WT1 H ATOM 25263 H2 TIP3 8690 11.181 -19.757 -11.884 1.00 0.00 WT1 H ATOM 25264 OH2 TIP3 8691 -0.746 -6.977 -0.383 1.00 0.00 WT1 O ATOM 25265 H1 TIP3 8691 2.085 -5.338 -1.228 1.00 0.00 WT1 H ATOM 25266 H2 TIP3 8691 11.052 0.451 2.914 1.00 0.00 WT1 H ATOM 25267 OH2 TIP3 8692 5.616 8.409 4.336 1.00 0.00 WT1 O ATOM 25268 H1 TIP3 8692 16.090 9.007 18.418 1.00 0.00 WT1 H ATOM 25269 H2 TIP3 8692 -5.067 -3.228 19.365 1.00 0.00 WT1 H ATOM 25270 OH2 TIP3 8693 -3.090 -3.129 2.899 1.00 0.00 WT1 O ATOM 25271 H1 TIP3 8693 -7.074 8.662 7.784 1.00 0.00 WT1 H ATOM 25272 H2 TIP3 8693 -1.839 -2.261 -10.296 1.00 0.00 WT1 H ATOM 25273 OH2 TIP3 8694 7.048 -1.290 -3.337 1.00 0.00 WT1 O ATOM 25274 H1 TIP3 8694 17.835 5.154 -13.653 1.00 0.00 WT1 H ATOM 25275 H2 TIP3 8694 -6.109 0.449 9.003 1.00 0.00 WT1 H ATOM 25276 OH2 TIP3 8695 -0.338 2.329 7.027 1.00 0.00 WT1 O ATOM 25277 H1 TIP3 8695 1.461 7.538 3.691 1.00 0.00 WT1 H ATOM 25278 H2 TIP3 8695 4.521 12.443 -5.368 1.00 0.00 WT1 H ATOM 25279 OH2 TIP3 8696 1.818 0.192 -4.786 1.00 0.00 WT1 O ATOM 25280 H1 TIP3 8696 0.268 2.345 3.076 1.00 0.00 WT1 H ATOM 25281 H2 TIP3 8696 -1.320 -0.532 -16.959 1.00 0.00 WT1 H ATOM 25282 OH2 TIP3 8697 2.563 3.501 3.279 1.00 0.00 WT1 O ATOM 25283 H1 TIP3 8697 -4.996 -9.517 15.773 1.00 0.00 WT1 H ATOM 25284 H2 TIP3 8697 7.709 13.910 -3.755 1.00 0.00 WT1 H ATOM 25285 OH2 TIP3 8698 2.319 6.069 -1.161 1.00 0.00 WT1 O ATOM 25286 H1 TIP3 8698 -5.564 -2.009 0.290 1.00 0.00 WT1 H ATOM 25287 H2 TIP3 8698 -6.112 -4.249 2.659 1.00 0.00 WT1 H ATOM 25288 OH2 TIP3 8699 -0.594 -0.723 -10.411 1.00 0.00 WT1 O ATOM 25289 H1 TIP3 8699 -1.449 8.001 -5.348 1.00 0.00 WT1 H ATOM 25290 H2 TIP3 8699 7.388 -1.984 -4.065 1.00 0.00 WT1 H ATOM 25291 OH2 TIP3 8700 3.858 -3.128 -1.031 1.00 0.00 WT1 O ATOM 25292 H1 TIP3 8700 9.633 13.845 -5.116 1.00 0.00 WT1 H ATOM 25293 H2 TIP3 8700 6.827 -4.641 -9.136 1.00 0.00 WT1 H ATOM 25294 OH2 TIP3 8702 1.576 1.980 -1.892 1.00 0.00 WT1 O ATOM 25295 H1 TIP3 8702 0.281 -3.680 10.865 1.00 0.00 WT1 H ATOM 25296 H2 TIP3 8702 0.372 -7.938 17.515 1.00 0.00 WT1 H ATOM 25297 OH2 TIP3 8703 -2.736 -4.507 0.750 1.00 0.00 WT1 O ATOM 25298 H1 TIP3 8703 1.289 -9.365 0.819 1.00 0.00 WT1 H ATOM 25299 H2 TIP3 8703 6.140 -10.673 2.175 1.00 0.00 WT1 H ATOM 25300 OH2 TIP3 8704 2.586 2.839 2.321 1.00 0.00 WT1 O ATOM 25301 H1 TIP3 8704 -13.300 -4.660 -10.340 1.00 0.00 WT1 H ATOM 25302 H2 TIP3 8704 12.387 7.968 8.633 1.00 0.00 WT1 H ATOM 25303 OH2 TIP3 8706 1.720 -4.330 -3.894 1.00 0.00 WT1 O ATOM 25304 H1 TIP3 8706 11.247 14.910 -19.368 1.00 0.00 WT1 H ATOM 25305 H2 TIP3 8706 -5.421 -17.517 6.974 1.00 0.00 WT1 H ATOM 25306 OH2 TIP3 8707 2.582 4.378 -5.543 1.00 0.00 WT1 O ATOM 25307 H1 TIP3 8707 4.042 5.292 2.353 1.00 0.00 WT1 H ATOM 25308 H2 TIP3 8707 4.452 4.347 -6.414 1.00 0.00 WT1 H ATOM 25309 OH2 TIP3 8708 1.529 -6.333 -4.977 1.00 0.00 WT1 O ATOM 25310 H1 TIP3 8708 -3.610 10.313 11.975 1.00 0.00 WT1 H ATOM 25311 H2 TIP3 8708 0.039 8.498 5.003 1.00 0.00 WT1 H ATOM 25312 OH2 TIP3 8709 2.556 0.867 4.665 1.00 0.00 WT1 O ATOM 25313 H1 TIP3 8709 15.740 1.532 20.693 1.00 0.00 WT1 H ATOM 25314 H2 TIP3 8709 5.246 16.162 7.810 1.00 0.00 WT1 H ATOM 25315 OH2 TIP3 8710 -6.526 4.459 2.064 1.00 0.00 WT1 O ATOM 25316 H1 TIP3 8710 -13.032 15.364 7.094 1.00 0.00 WT1 H ATOM 25317 H2 TIP3 8710 0.563 -3.271 16.122 1.00 0.00 WT1 H ATOM 25318 OH2 TIP3 8711 -1.949 6.207 -1.431 1.00 0.00 WT1 O ATOM 25319 H1 TIP3 8711 24.731 16.310 -14.367 1.00 0.00 WT1 H ATOM 25320 H2 TIP3 8711 9.460 20.311 -11.584 1.00 0.00 WT1 H ATOM 25321 OH2 TIP3 8712 7.190 -2.056 1.563 1.00 0.00 WT1 O ATOM 25322 H1 TIP3 8712 -8.622 11.310 -13.442 1.00 0.00 WT1 H ATOM 25323 H2 TIP3 8712 10.716 -2.669 -1.153 1.00 0.00 WT1 H ATOM 25324 OH2 TIP3 8713 6.553 -9.515 3.627 1.00 0.00 WT1 O ATOM 25325 H1 TIP3 8713 -15.410 -5.186 -9.942 1.00 0.00 WT1 H ATOM 25326 H2 TIP3 8713 16.086 -26.388 -4.438 1.00 0.00 WT1 H ATOM 25327 OH2 TIP3 8714 -5.742 0.612 -4.189 1.00 0.00 WT1 O ATOM 25328 H1 TIP3 8714 2.627 -0.931 -17.959 1.00 0.00 WT1 H ATOM 25329 H2 TIP3 8714 -11.916 1.617 5.065 1.00 0.00 WT1 H ATOM 25330 OH2 TIP3 8715 -4.286 2.145 1.555 1.00 0.00 WT1 O ATOM 25331 H1 TIP3 8715 3.034 4.229 -0.824 1.00 0.00 WT1 H ATOM 25332 H2 TIP3 8715 -7.853 24.740 0.230 1.00 0.00 WT1 H ATOM 25333 OH2 TIP3 8716 -0.062 -0.790 -2.855 1.00 0.00 WT1 O ATOM 25334 H1 TIP3 8716 -25.634 7.600 -24.161 1.00 0.00 WT1 H ATOM 25335 H2 TIP3 8716 19.370 -27.841 14.342 1.00 0.00 WT1 H ATOM 25336 OH2 TIP3 8717 -2.674 -5.910 0.132 1.00 0.00 WT1 O ATOM 25337 H1 TIP3 8717 4.176 -3.478 -0.985 1.00 0.00 WT1 H ATOM 25338 H2 TIP3 8717 -0.107 -8.739 6.516 1.00 0.00 WT1 H ATOM 25339 OH2 TIP3 8718 0.415 4.876 1.769 1.00 0.00 WT1 O ATOM 25340 H1 TIP3 8718 -7.950 1.722 -3.840 1.00 0.00 WT1 H ATOM 25341 H2 TIP3 8718 -5.447 18.946 4.878 1.00 0.00 WT1 H ATOM 25342 OH2 TIP3 8719 -6.624 1.706 -1.367 1.00 0.00 WT1 O ATOM 25343 H1 TIP3 8719 -10.055 -2.681 6.708 1.00 0.00 WT1 H ATOM 25344 H2 TIP3 8719 3.711 1.720 -22.754 1.00 0.00 WT1 H ATOM 25345 OH2 TIP3 8720 2.657 0.036 -3.700 1.00 0.00 WT1 O ATOM 25346 H1 TIP3 8720 10.337 11.232 -9.735 1.00 0.00 WT1 H ATOM 25347 H2 TIP3 8720 9.857 13.086 -12.507 1.00 0.00 WT1 H ATOM 25348 OH2 TIP3 8721 -4.964 -1.997 -2.018 1.00 0.00 WT1 O ATOM 25349 H1 TIP3 8721 -6.661 11.488 -0.336 1.00 0.00 WT1 H ATOM 25350 H2 TIP3 8721 -6.380 5.754 -6.978 1.00 0.00 WT1 H ATOM 25351 OH2 TIP3 8722 -1.276 2.693 -3.785 1.00 0.00 WT1 O ATOM 25352 H1 TIP3 8722 -10.893 -2.424 -8.991 1.00 0.00 WT1 H ATOM 25353 H2 TIP3 8722 -1.429 -3.734 1.340 1.00 0.00 WT1 H ATOM 25354 OH2 TIP3 8723 -0.440 4.210 1.055 1.00 0.00 WT1 O ATOM 25355 H1 TIP3 8723 15.564 2.091 -12.311 1.00 0.00 WT1 H ATOM 25356 H2 TIP3 8723 -21.298 7.546 -6.639 1.00 0.00 WT1 H ATOM 25357 OH2 TIP3 8724 0.724 3.298 7.280 1.00 0.00 WT1 O ATOM 25358 H1 TIP3 8724 2.673 9.676 -7.787 1.00 0.00 WT1 H ATOM 25359 H2 TIP3 8724 13.036 -24.269 -37.477 1.00 0.00 WT1 H ATOM 25360 OH2 TIP3 8725 3.406 0.659 -0.813 1.00 0.00 WT1 O ATOM 25361 H1 TIP3 8725 15.921 13.409 -7.283 1.00 0.00 WT1 H ATOM 25362 H2 TIP3 8725 -10.134 10.301 20.029 1.00 0.00 WT1 H ATOM 25363 OH2 TIP3 8726 0.460 0.914 -0.282 1.00 0.00 WT1 O ATOM 25364 H1 TIP3 8726 0.919 14.305 38.932 1.00 0.00 WT1 H ATOM 25365 H2 TIP3 8726 -9.132 3.937 18.417 1.00 0.00 WT1 H ATOM 25366 OH2 TIP3 8727 -4.888 2.359 2.838 1.00 0.00 WT1 O ATOM 25367 H1 TIP3 8727 -6.036 -7.294 6.721 1.00 0.00 WT1 H ATOM 25368 H2 TIP3 8727 -1.865 -0.045 5.898 1.00 0.00 WT1 H ATOM 25369 OH2 TIP3 8728 2.536 -2.612 -1.273 1.00 0.00 WT1 O ATOM 25370 H1 TIP3 8728 -15.777 13.530 6.632 1.00 0.00 WT1 H ATOM 25371 H2 TIP3 8728 -7.823 -9.310 8.776 1.00 0.00 WT1 H ATOM 25372 OH2 TIP3 8729 -1.491 3.307 -6.986 1.00 0.00 WT1 O ATOM 25373 H1 TIP3 8729 -1.804 -15.730 -13.927 1.00 0.00 WT1 H ATOM 25374 H2 TIP3 8729 -7.829 7.466 -9.108 1.00 0.00 WT1 H ATOM 25375 OH2 TIP3 8730 -4.825 1.187 -1.144 1.00 0.00 WT1 O ATOM 25376 H1 TIP3 8730 -5.398 9.863 -2.770 1.00 0.00 WT1 H ATOM 25377 H2 TIP3 8730 -5.417 1.488 -0.884 1.00 0.00 WT1 H ATOM 25378 OH2 TIP3 8731 4.535 3.227 -1.056 1.00 0.00 WT1 O ATOM 25379 H1 TIP3 8731 12.917 8.349 31.366 1.00 0.00 WT1 H ATOM 25380 H2 TIP3 8731 -6.183 -12.296 -1.285 1.00 0.00 WT1 H ATOM 25381 OH2 TIP3 8732 -4.160 0.535 3.766 1.00 0.00 WT1 O ATOM 25382 H1 TIP3 8732 2.221 -2.416 -16.024 1.00 0.00 WT1 H ATOM 25383 H2 TIP3 8732 -26.555 4.316 4.785 1.00 0.00 WT1 H ATOM 25384 OH2 TIP3 8733 1.023 -0.865 3.027 1.00 0.00 WT1 O ATOM 25385 H1 TIP3 8733 7.750 -1.409 6.413 1.00 0.00 WT1 H ATOM 25386 H2 TIP3 8733 -7.379 4.429 9.342 1.00 0.00 WT1 H ATOM 25387 OH2 TIP3 8734 -10.642 1.063 -1.437 1.00 0.00 WT1 O ATOM 25388 H1 TIP3 8734 -16.550 -8.677 -17.598 1.00 0.00 WT1 H ATOM 25389 H2 TIP3 8734 17.179 -15.584 -3.198 1.00 0.00 WT1 H ATOM 25390 OH2 TIP3 8735 3.216 -0.091 -8.572 1.00 0.00 WT1 O ATOM 25391 H1 TIP3 8735 -1.692 1.734 -8.309 1.00 0.00 WT1 H ATOM 25392 H2 TIP3 8735 9.488 -1.326 -2.340 1.00 0.00 WT1 H ATOM 25393 OH2 TIP3 8736 -0.986 -6.362 2.711 1.00 0.00 WT1 O ATOM 25394 H1 TIP3 8736 6.917 -3.991 6.938 1.00 0.00 WT1 H ATOM 25395 H2 TIP3 8736 1.554 15.381 -8.747 1.00 0.00 WT1 H ATOM 25396 OH2 TIP3 8737 -1.582 -0.889 -6.338 1.00 0.00 WT1 O ATOM 25397 H1 TIP3 8737 -0.084 2.599 -6.833 1.00 0.00 WT1 H ATOM 25398 H2 TIP3 8737 10.027 -31.903 -17.915 1.00 0.00 WT1 H ATOM 25399 OH2 TIP3 8738 -4.258 1.442 -0.170 1.00 0.00 WT1 O ATOM 25400 H1 TIP3 8738 -10.333 12.452 1.287 1.00 0.00 WT1 H ATOM 25401 H2 TIP3 8738 1.091 -5.941 -1.130 1.00 0.00 WT1 H ATOM 25402 OH2 TIP3 8739 1.274 5.676 5.912 1.00 0.00 WT1 O ATOM 25403 H1 TIP3 8739 2.825 -2.731 9.543 1.00 0.00 WT1 H ATOM 25404 H2 TIP3 8739 9.513 10.961 5.007 1.00 0.00 WT1 H ATOM 25405 OH2 TIP3 8740 -1.287 -0.950 -2.303 1.00 0.00 WT1 O ATOM 25406 H1 TIP3 8740 -6.773 11.995 6.303 1.00 0.00 WT1 H ATOM 25407 H2 TIP3 8740 -18.136 0.236 -12.295 1.00 0.00 WT1 H ATOM 25408 OH2 TIP3 8741 2.051 5.110 -1.633 1.00 0.00 WT1 O ATOM 25409 H1 TIP3 8741 -1.144 -25.995 -1.429 1.00 0.00 WT1 H ATOM 25410 H2 TIP3 8741 1.005 -9.905 3.707 1.00 0.00 WT1 H ATOM 25411 OH2 TIP3 8742 3.037 -2.201 3.672 1.00 0.00 WT1 O ATOM 25412 H1 TIP3 8742 -7.152 1.594 3.828 1.00 0.00 WT1 H ATOM 25413 H2 TIP3 8742 -31.022 -18.717 -16.058 1.00 0.00 WT1 H ATOM 25414 OH2 TIP3 8743 -0.117 -1.126 4.173 1.00 0.00 WT1 O ATOM 25415 H1 TIP3 8743 11.763 -7.831 10.168 1.00 0.00 WT1 H ATOM 25416 H2 TIP3 8743 -22.009 -21.027 2.638 1.00 0.00 WT1 H ATOM 25417 OH2 TIP3 8744 -0.634 -11.681 -2.621 1.00 0.00 WT1 O ATOM 25418 H1 TIP3 8744 -12.811 -2.431 -8.605 1.00 0.00 WT1 H ATOM 25419 H2 TIP3 8744 7.114 -8.287 2.513 1.00 0.00 WT1 H ATOM 25420 OH2 TIP3 8745 -0.615 -3.729 1.742 1.00 0.00 WT1 O ATOM 25421 H1 TIP3 8745 -4.464 -18.160 13.531 1.00 0.00 WT1 H ATOM 25422 H2 TIP3 8745 -0.997 1.275 5.776 1.00 0.00 WT1 H ATOM 25423 OH2 TIP3 8746 1.738 -5.678 -1.761 1.00 0.00 WT1 O ATOM 25424 H1 TIP3 8746 -10.163 -2.003 4.453 1.00 0.00 WT1 H ATOM 25425 H2 TIP3 8746 13.668 1.988 10.034 1.00 0.00 WT1 H ATOM 25426 OH2 TIP3 8747 -1.873 2.168 -3.032 1.00 0.00 WT1 O ATOM 25427 H1 TIP3 8747 -24.662 -0.791 -0.014 1.00 0.00 WT1 H ATOM 25428 H2 TIP3 8747 -13.866 -6.358 2.101 1.00 0.00 WT1 H ATOM 25429 OH2 TIP3 8748 0.653 1.623 2.511 1.00 0.00 WT1 O ATOM 25430 H1 TIP3 8748 3.889 -1.546 3.237 1.00 0.00 WT1 H ATOM 25431 H2 TIP3 8748 -3.792 4.472 4.348 1.00 0.00 WT1 H ATOM 25432 OH2 TIP3 8749 -6.205 7.002 0.846 1.00 0.00 WT1 O ATOM 25433 H1 TIP3 8749 -20.862 10.403 -13.736 1.00 0.00 WT1 H ATOM 25434 H2 TIP3 8749 -7.961 -19.583 5.733 1.00 0.00 WT1 H ATOM 25435 OH2 TIP3 8750 1.605 1.833 -7.573 1.00 0.00 WT1 O ATOM 25436 H1 TIP3 8750 3.551 5.957 -6.660 1.00 0.00 WT1 H ATOM 25437 H2 TIP3 8750 -6.545 8.889 -11.586 1.00 0.00 WT1 H ATOM 25438 OH2 TIP3 8751 -3.493 4.178 2.277 1.00 0.00 WT1 O ATOM 25439 H1 TIP3 8751 -6.168 -9.692 16.305 1.00 0.00 WT1 H ATOM 25440 H2 TIP3 8751 7.951 6.242 -1.260 1.00 0.00 WT1 H ATOM 25441 OH2 TIP3 8752 -1.377 1.001 3.870 1.00 0.00 WT1 O ATOM 25442 H1 TIP3 8752 -3.216 -3.015 -9.862 1.00 0.00 WT1 H ATOM 25443 H2 TIP3 8752 -15.462 30.861 -6.307 1.00 0.00 WT1 H ATOM 25444 OH2 TIP3 8753 -0.849 -4.150 -1.110 1.00 0.00 WT1 O ATOM 25445 H1 TIP3 8753 6.602 -16.557 15.074 1.00 0.00 WT1 H ATOM 25446 H2 TIP3 8753 19.387 4.560 -10.411 1.00 0.00 WT1 H ATOM 25447 OH2 TIP3 8754 3.683 4.403 4.033 1.00 0.00 WT1 O ATOM 25448 H1 TIP3 8754 -34.100 1.221 -4.336 1.00 0.00 WT1 H ATOM 25449 H2 TIP3 8754 3.518 24.986 33.163 1.00 0.00 WT1 H ATOM 25450 OH2 TIP3 8755 -7.514 -1.001 -8.838 1.00 0.00 WT1 O ATOM 25451 H1 TIP3 8755 -18.396 9.790 -21.259 1.00 0.00 WT1 H ATOM 25452 H2 TIP3 8755 0.305 -7.379 -3.985 1.00 0.00 WT1 H ATOM 25453 OH2 TIP3 8756 -2.154 -2.044 2.954 1.00 0.00 WT1 O ATOM 25454 H1 TIP3 8756 13.440 -14.599 27.071 1.00 0.00 WT1 H ATOM 25455 H2 TIP3 8756 -24.087 0.894 -10.112 1.00 0.00 WT1 H ATOM 25456 OH2 TIP3 8757 -0.539 1.336 3.319 1.00 0.00 WT1 O ATOM 25457 H1 TIP3 8757 11.882 -8.031 4.021 1.00 0.00 WT1 H ATOM 25458 H2 TIP3 8757 -3.610 -3.395 -3.813 1.00 0.00 WT1 H ATOM 25459 OH2 TIP3 8758 -3.252 -4.790 -0.112 1.00 0.00 WT1 O ATOM 25460 H1 TIP3 8758 -1.942 -7.735 2.611 1.00 0.00 WT1 H ATOM 25461 H2 TIP3 8758 0.484 -2.732 -2.869 1.00 0.00 WT1 H ATOM 25462 OH2 TIP3 8759 -3.709 -4.107 0.138 1.00 0.00 WT1 O ATOM 25463 H1 TIP3 8759 -1.364 -10.159 -2.502 1.00 0.00 WT1 H ATOM 25464 H2 TIP3 8759 9.514 -3.619 -2.503 1.00 0.00 WT1 H ATOM 25465 OH2 TIP3 8760 3.618 -1.585 9.851 1.00 0.00 WT1 O ATOM 25466 H1 TIP3 8760 0.658 -12.205 18.762 1.00 0.00 WT1 H ATOM 25467 H2 TIP3 8760 3.803 10.542 17.230 1.00 0.00 WT1 H ATOM 25468 OH2 TIP3 8761 4.340 3.290 -0.845 1.00 0.00 WT1 O ATOM 25469 H1 TIP3 8761 14.938 -2.667 6.051 1.00 0.00 WT1 H ATOM 25470 H2 TIP3 8761 6.367 4.255 -13.122 1.00 0.00 WT1 H ATOM 25471 OH2 TIP3 8762 -1.988 -2.728 -3.435 1.00 0.00 WT1 O ATOM 25472 H1 TIP3 8762 -1.880 -5.780 -2.749 1.00 0.00 WT1 H ATOM 25473 H2 TIP3 8762 5.639 -18.383 -14.163 1.00 0.00 WT1 H ATOM 25474 OH2 TIP3 8763 0.314 2.097 1.959 1.00 0.00 WT1 O ATOM 25475 H1 TIP3 8763 -5.329 5.779 -4.552 1.00 0.00 WT1 H ATOM 25476 H2 TIP3 8763 -1.572 15.175 18.794 1.00 0.00 WT1 H ATOM 25477 OH2 TIP3 8764 1.059 -2.286 -5.284 1.00 0.00 WT1 O ATOM 25478 H1 TIP3 8764 -18.639 -11.601 11.859 1.00 0.00 WT1 H ATOM 25479 H2 TIP3 8764 -12.930 9.053 -18.215 1.00 0.00 WT1 H ATOM 25480 OH2 TIP3 8765 -7.446 7.713 -0.448 1.00 0.00 WT1 O ATOM 25481 H1 TIP3 8765 -4.940 7.634 -11.186 1.00 0.00 WT1 H ATOM 25482 H2 TIP3 8765 -0.786 9.800 -17.690 1.00 0.00 WT1 H ATOM 25483 OH2 TIP3 8766 0.565 3.067 5.305 1.00 0.00 WT1 O ATOM 25484 H1 TIP3 8766 -12.252 10.405 17.201 1.00 0.00 WT1 H ATOM 25485 H2 TIP3 8766 3.553 -14.912 11.413 1.00 0.00 WT1 H ATOM 25486 OH2 TIP3 8767 4.466 -0.285 0.071 1.00 0.00 WT1 O ATOM 25487 H1 TIP3 8767 -0.854 -9.322 1.536 1.00 0.00 WT1 H ATOM 25488 H2 TIP3 8767 1.342 -1.206 -1.490 1.00 0.00 WT1 H ATOM 25489 OH2 TIP3 8768 0.836 -3.735 0.805 1.00 0.00 WT1 O ATOM 25490 H1 TIP3 8768 -14.964 -4.242 2.711 1.00 0.00 WT1 H ATOM 25491 H2 TIP3 8768 13.953 -8.834 15.668 1.00 0.00 WT1 H ATOM 25492 OH2 TIP3 8769 3.084 0.876 3.437 1.00 0.00 WT1 O ATOM 25493 H1 TIP3 8769 -9.706 19.705 6.496 1.00 0.00 WT1 H ATOM 25494 H2 TIP3 8769 -3.483 2.130 -0.706 1.00 0.00 WT1 H ATOM 25495 OH2 TIP3 8770 2.492 2.483 -0.068 1.00 0.00 WT1 O ATOM 25496 H1 TIP3 8770 -7.795 3.024 -1.565 1.00 0.00 WT1 H ATOM 25497 H2 TIP3 8770 -2.369 1.585 5.732 1.00 0.00 WT1 H ATOM 25498 OH2 TIP3 8771 -7.016 5.297 -0.495 1.00 0.00 WT1 O ATOM 25499 H1 TIP3 8771 -7.791 1.945 -1.976 1.00 0.00 WT1 H ATOM 25500 H2 TIP3 8771 1.290 12.441 0.096 1.00 0.00 WT1 H ATOM 25501 OH2 TIP3 8772 -4.194 2.302 5.262 1.00 0.00 WT1 O ATOM 25502 H1 TIP3 8772 -5.693 -16.858 13.403 1.00 0.00 WT1 H ATOM 25503 H2 TIP3 8772 -24.889 18.938 16.619 1.00 0.00 WT1 H ATOM 25504 OH2 TIP3 8773 4.820 -2.647 -2.935 1.00 0.00 WT1 O ATOM 25505 H1 TIP3 8773 -15.553 -6.284 -6.064 1.00 0.00 WT1 H ATOM 25506 H2 TIP3 8773 5.745 17.432 -1.671 1.00 0.00 WT1 H ATOM 25507 OH2 TIP3 8774 -5.993 -4.016 -5.574 1.00 0.00 WT1 O ATOM 25508 H1 TIP3 8774 26.465 1.030 -19.061 1.00 0.00 WT1 H ATOM 25509 H2 TIP3 8774 -19.801 -30.541 -24.221 1.00 0.00 WT1 H ATOM 25510 OH2 TIP3 8775 -6.984 4.404 -1.581 1.00 0.00 WT1 O ATOM 25511 H1 TIP3 8775 -14.651 -14.555 31.006 1.00 0.00 WT1 H ATOM 25512 H2 TIP3 8775 -25.636 -15.948 0.788 1.00 0.00 WT1 H ATOM 25513 OH2 TIP3 8776 -3.998 -1.885 -2.920 1.00 0.00 WT1 O ATOM 25514 H1 TIP3 8776 -8.560 16.595 -5.553 1.00 0.00 WT1 H ATOM 25515 H2 TIP3 8776 -2.015 -2.795 -5.266 1.00 0.00 WT1 H ATOM 25516 OH2 TIP3 8777 -0.262 -5.427 3.819 1.00 0.00 WT1 O ATOM 25517 H1 TIP3 8777 -17.780 -0.610 -1.336 1.00 0.00 WT1 H ATOM 25518 H2 TIP3 8777 -0.646 -17.637 -24.196 1.00 0.00 WT1 H ATOM 25519 OH2 TIP3 8778 6.345 4.098 0.150 1.00 0.00 WT1 O ATOM 25520 H1 TIP3 8778 5.288 5.538 1.423 1.00 0.00 WT1 H ATOM 25521 H2 TIP3 8778 1.135 16.911 11.065 1.00 0.00 WT1 H ATOM 25522 OH2 TIP3 8779 3.123 -3.329 -0.231 1.00 0.00 WT1 O ATOM 25523 H1 TIP3 8779 9.770 -6.549 4.932 1.00 0.00 WT1 H ATOM 25524 H2 TIP3 8779 3.569 -11.829 -1.995 1.00 0.00 WT1 H ATOM 25525 OH2 TIP3 8780 -1.184 -4.991 -1.649 1.00 0.00 WT1 O ATOM 25526 H1 TIP3 8780 0.756 -24.743 -1.595 1.00 0.00 WT1 H ATOM 25527 H2 TIP3 8780 8.835 12.884 3.891 1.00 0.00 WT1 H ATOM 25528 OH2 TIP3 8781 -6.682 1.925 -4.253 1.00 0.00 WT1 O ATOM 25529 H1 TIP3 8781 -3.831 -6.301 12.202 1.00 0.00 WT1 H ATOM 25530 H2 TIP3 8781 -6.753 -9.406 0.521 1.00 0.00 WT1 H ATOM 25531 OH2 TIP3 8782 8.669 6.346 -7.745 1.00 0.00 WT1 O ATOM 25532 H1 TIP3 8782 -22.626 -8.161 17.128 1.00 0.00 WT1 H ATOM 25533 H2 TIP3 8782 28.466 1.200 3.587 1.00 0.00 WT1 H ATOM 25534 OH2 TIP3 8783 -0.578 2.131 0.116 1.00 0.00 WT1 O ATOM 25535 H1 TIP3 8783 -0.441 -19.086 -6.930 1.00 0.00 WT1 H ATOM 25536 H2 TIP3 8783 2.585 5.613 4.374 1.00 0.00 WT1 H ATOM 25537 OH2 TIP3 8784 1.078 -5.590 4.014 1.00 0.00 WT1 O ATOM 25538 H1 TIP3 8784 10.085 -11.642 5.972 1.00 0.00 WT1 H ATOM 25539 H2 TIP3 8784 3.562 -8.547 -1.939 1.00 0.00 WT1 H ATOM 25540 OH2 TIP3 8785 0.652 -3.491 1.063 1.00 0.00 WT1 O ATOM 25541 H1 TIP3 8785 -8.112 2.295 4.201 1.00 0.00 WT1 H ATOM 25542 H2 TIP3 8785 -1.331 2.893 4.032 1.00 0.00 WT1 H ATOM 25543 OH2 TIP3 8786 -1.303 5.465 0.131 1.00 0.00 WT1 O ATOM 25544 H1 TIP3 8786 6.677 -11.746 -25.703 1.00 0.00 WT1 H ATOM 25545 H2 TIP3 8786 5.403 -7.560 -19.918 1.00 0.00 WT1 H ATOM 25546 OH2 TIP3 8787 -1.366 3.541 2.576 1.00 0.00 WT1 O ATOM 25547 H1 TIP3 8787 -6.199 -14.295 -1.995 1.00 0.00 WT1 H ATOM 25548 H2 TIP3 8787 1.944 1.132 13.781 1.00 0.00 WT1 H ATOM 25549 OH2 TIP3 8788 2.655 -2.848 -8.239 1.00 0.00 WT1 O ATOM 25550 H1 TIP3 8788 5.188 -3.928 -3.599 1.00 0.00 WT1 H ATOM 25551 H2 TIP3 8788 3.739 -3.579 -3.645 1.00 0.00 WT1 H ATOM 25552 OH2 TIP3 8789 1.154 -9.797 1.634 1.00 0.00 WT1 O ATOM 25553 H1 TIP3 8789 -16.350 5.672 2.583 1.00 0.00 WT1 H ATOM 25554 H2 TIP3 8789 15.438 13.173 0.366 1.00 0.00 WT1 H ATOM 25555 OH2 TIP3 8790 -4.664 5.186 1.799 1.00 0.00 WT1 O ATOM 25556 H1 TIP3 8790 -1.338 6.911 8.072 1.00 0.00 WT1 H ATOM 25557 H2 TIP3 8790 -13.386 -0.610 0.268 1.00 0.00 WT1 H ATOM 25558 OH2 TIP3 8791 -7.672 -1.538 -2.189 1.00 0.00 WT1 O ATOM 25559 H1 TIP3 8791 -7.369 0.276 14.550 1.00 0.00 WT1 H ATOM 25560 H2 TIP3 8791 -18.783 -19.161 5.860 1.00 0.00 WT1 H ATOM 25561 OH2 TIP3 8793 0.100 3.626 -2.714 1.00 0.00 WT1 O ATOM 25562 H1 TIP3 8793 -18.667 -1.427 5.329 1.00 0.00 WT1 H ATOM 25563 H2 TIP3 8793 -16.844 -8.803 22.782 1.00 0.00 WT1 H ATOM 25564 OH2 TIP3 8794 -1.475 8.062 1.289 1.00 0.00 WT1 O ATOM 25565 H1 TIP3 8794 5.032 -4.247 -0.262 1.00 0.00 WT1 H ATOM 25566 H2 TIP3 8794 11.457 7.798 11.805 1.00 0.00 WT1 H ATOM 25567 OH2 TIP3 8795 -4.322 1.272 -0.131 1.00 0.00 WT1 O ATOM 25568 H1 TIP3 8795 18.905 -14.143 4.507 1.00 0.00 WT1 H ATOM 25569 H2 TIP3 8795 -28.504 0.656 -3.906 1.00 0.00 WT1 H ATOM 25570 OH2 TIP3 8797 -2.376 4.506 0.024 1.00 0.00 WT1 O ATOM 25571 H1 TIP3 8797 0.264 -8.047 -6.198 1.00 0.00 WT1 H ATOM 25572 H2 TIP3 8797 -14.119 0.384 -0.186 1.00 0.00 WT1 H ATOM 25573 OH2 TIP3 8798 3.460 -1.807 -1.445 1.00 0.00 WT1 O ATOM 25574 H1 TIP3 8798 -5.420 14.851 8.321 1.00 0.00 WT1 H ATOM 25575 H2 TIP3 8798 -8.228 -12.196 -2.893 1.00 0.00 WT1 H ATOM 25576 OH2 TIP3 8799 -0.590 -1.068 6.273 1.00 0.00 WT1 O ATOM 25577 H1 TIP3 8799 -4.869 14.736 9.570 1.00 0.00 WT1 H ATOM 25578 H2 TIP3 8799 5.686 -1.594 -8.169 1.00 0.00 WT1 H ATOM 25579 OH2 TIP3 8800 -2.839 -0.570 6.366 1.00 0.00 WT1 O ATOM 25580 H1 TIP3 8800 -2.629 12.287 -0.053 1.00 0.00 WT1 H ATOM 25581 H2 TIP3 8800 7.007 -3.167 -12.122 1.00 0.00 WT1 H ATOM 25582 OH2 TIP3 8801 -4.439 2.323 2.489 1.00 0.00 WT1 O ATOM 25583 H1 TIP3 8801 13.053 -7.010 21.290 1.00 0.00 WT1 H ATOM 25584 H2 TIP3 8801 -4.685 6.760 -0.635 1.00 0.00 WT1 H ATOM 25585 OH2 TIP3 8802 -2.683 1.188 1.024 1.00 0.00 WT1 O ATOM 25586 H1 TIP3 8802 6.586 2.660 10.591 1.00 0.00 WT1 H ATOM 25587 H2 TIP3 8802 0.796 4.247 11.038 1.00 0.00 WT1 H ATOM 25588 OH2 TIP3 8803 1.433 -3.324 3.804 1.00 0.00 WT1 O ATOM 25589 H1 TIP3 8803 24.637 -30.842 11.075 1.00 0.00 WT1 H ATOM 25590 H2 TIP3 8803 -14.093 13.534 -12.789 1.00 0.00 WT1 H ATOM 25591 OH2 TIP3 8804 0.840 -0.378 1.093 1.00 0.00 WT1 O ATOM 25592 H1 TIP3 8804 4.175 22.419 -3.050 1.00 0.00 WT1 H ATOM 25593 H2 TIP3 8804 9.402 -5.669 -2.518 1.00 0.00 WT1 H ATOM 25594 OH2 TIP3 8805 -0.618 -0.004 4.311 1.00 0.00 WT1 O ATOM 25595 H1 TIP3 8805 4.353 -6.030 12.941 1.00 0.00 WT1 H ATOM 25596 H2 TIP3 8805 30.269 -15.958 6.193 1.00 0.00 WT1 H ATOM 25597 OH2 TIP3 8806 4.719 -3.645 2.359 1.00 0.00 WT1 O ATOM 25598 H1 TIP3 8806 -5.891 -8.140 -6.607 1.00 0.00 WT1 H ATOM 25599 H2 TIP3 8806 1.398 -25.146 -1.938 1.00 0.00 WT1 H ATOM 25600 OH2 TIP3 8808 1.326 5.169 -5.466 1.00 0.00 WT1 O ATOM 25601 H1 TIP3 8808 -3.638 6.291 11.222 1.00 0.00 WT1 H ATOM 25602 H2 TIP3 8808 -3.659 -8.266 -20.064 1.00 0.00 WT1 H ATOM 25603 OH2 TIP3 8809 5.350 -1.209 6.141 1.00 0.00 WT1 O ATOM 25604 H1 TIP3 8809 1.299 7.045 -0.236 1.00 0.00 WT1 H ATOM 25605 H2 TIP3 8809 12.372 -4.361 1.503 1.00 0.00 WT1 H ATOM 25606 OH2 TIP3 8810 0.063 5.441 3.994 1.00 0.00 WT1 O ATOM 25607 H1 TIP3 8810 12.824 1.355 9.267 1.00 0.00 WT1 H ATOM 25608 H2 TIP3 8810 -2.290 5.466 -5.279 1.00 0.00 WT1 H ATOM 25609 OH2 TIP3 8811 -8.535 -8.552 1.576 1.00 0.00 WT1 O ATOM 25610 H1 TIP3 8811 -10.716 -8.758 6.532 1.00 0.00 WT1 H ATOM 25611 H2 TIP3 8811 -9.792 -7.613 2.074 1.00 0.00 WT1 H ATOM 25612 OH2 TIP3 8812 2.069 -5.614 -1.924 1.00 0.00 WT1 O ATOM 25613 H1 TIP3 8812 10.226 20.968 20.751 1.00 0.00 WT1 H ATOM 25614 H2 TIP3 8812 23.280 6.594 -12.152 1.00 0.00 WT1 H ATOM 25615 OH2 TIP3 8813 -3.071 -0.076 -0.708 1.00 0.00 WT1 O ATOM 25616 H1 TIP3 8813 -22.603 16.173 -4.244 1.00 0.00 WT1 H ATOM 25617 H2 TIP3 8813 6.392 -26.250 24.736 1.00 0.00 WT1 H ATOM 25618 OH2 TIP3 8815 8.263 3.999 -1.518 1.00 0.00 WT1 O ATOM 25619 H1 TIP3 8815 13.785 11.109 -8.504 1.00 0.00 WT1 H ATOM 25620 H2 TIP3 8815 11.953 9.324 -4.058 1.00 0.00 WT1 H ATOM 25621 OH2 TIP3 8816 -3.011 1.650 5.837 1.00 0.00 WT1 O ATOM 25622 H1 TIP3 8816 11.565 -20.938 4.525 1.00 0.00 WT1 H ATOM 25623 H2 TIP3 8816 12.748 11.834 -2.788 1.00 0.00 WT1 H ATOM 25624 OH2 TIP3 8817 4.729 5.198 -2.432 1.00 0.00 WT1 O ATOM 25625 H1 TIP3 8817 3.218 2.774 -0.518 1.00 0.00 WT1 H ATOM 25626 H2 TIP3 8817 5.345 1.326 -6.901 1.00 0.00 WT1 H ATOM 25627 OH2 TIP3 8818 3.074 7.103 -2.869 1.00 0.00 WT1 O ATOM 25628 H1 TIP3 8818 -15.305 0.826 -2.906 1.00 0.00 WT1 H ATOM 25629 H2 TIP3 8818 8.703 12.072 -6.811 1.00 0.00 WT1 H ATOM 25630 OH2 TIP3 8819 -3.336 3.925 -0.563 1.00 0.00 WT1 O ATOM 25631 H1 TIP3 8819 0.891 3.300 -2.220 1.00 0.00 WT1 H ATOM 25632 H2 TIP3 8819 21.189 0.869 -10.518 1.00 0.00 WT1 H ATOM 25633 OH2 TIP3 8820 -6.713 5.141 -0.435 1.00 0.00 WT1 O ATOM 25634 H1 TIP3 8820 -10.726 8.452 -1.118 1.00 0.00 WT1 H ATOM 25635 H2 TIP3 8820 -1.711 9.057 9.362 1.00 0.00 WT1 H ATOM 25636 OH2 TIP3 8821 1.352 0.035 1.233 1.00 0.00 WT1 O ATOM 25637 H1 TIP3 8821 5.258 24.190 17.766 1.00 0.00 WT1 H ATOM 25638 H2 TIP3 8821 3.317 23.816 20.919 1.00 0.00 WT1 H ATOM 25639 OH2 TIP3 8822 -6.676 -3.020 2.690 1.00 0.00 WT1 O ATOM 25640 H1 TIP3 8822 -9.750 -2.954 7.157 1.00 0.00 WT1 H ATOM 25641 H2 TIP3 8822 17.944 -2.006 -18.823 1.00 0.00 WT1 H ATOM 25642 OH2 TIP3 8823 -3.937 -4.399 1.622 1.00 0.00 WT1 O ATOM 25643 H1 TIP3 8823 18.564 -1.737 -10.783 1.00 0.00 WT1 H ATOM 25644 H2 TIP3 8823 -11.828 -9.095 -19.734 1.00 0.00 WT1 H ATOM 25645 OH2 TIP3 8824 -0.906 -1.300 0.732 1.00 0.00 WT1 O ATOM 25646 H1 TIP3 8824 -13.074 4.144 -16.510 1.00 0.00 WT1 H ATOM 25647 H2 TIP3 8824 -2.078 -4.586 -3.370 1.00 0.00 WT1 H ATOM 25648 OH2 TIP3 8825 2.251 0.456 1.630 1.00 0.00 WT1 O ATOM 25649 H1 TIP3 8825 3.564 3.853 2.473 1.00 0.00 WT1 H ATOM 25650 H2 TIP3 8825 -14.373 14.023 5.467 1.00 0.00 WT1 H ATOM 25651 OH2 TIP3 8827 -3.951 -4.504 3.014 1.00 0.00 WT1 O ATOM 25652 H1 TIP3 8827 -12.594 -14.873 -6.225 1.00 0.00 WT1 H ATOM 25653 H2 TIP3 8827 11.098 -15.896 9.644 1.00 0.00 WT1 H ATOM 25654 OH2 TIP3 8828 4.553 -2.391 -0.818 1.00 0.00 WT1 O ATOM 25655 H1 TIP3 8828 4.739 11.264 -24.357 1.00 0.00 WT1 H ATOM 25656 H2 TIP3 8828 31.755 -3.182 15.989 1.00 0.00 WT1 H ATOM 25657 OH2 TIP3 8829 -4.175 4.592 -4.572 1.00 0.00 WT1 O ATOM 25658 H1 TIP3 8829 -5.156 3.407 5.740 1.00 0.00 WT1 H ATOM 25659 H2 TIP3 8829 6.485 -6.398 -2.007 1.00 0.00 WT1 H ATOM 25660 OH2 TIP3 8830 2.600 -4.760 -7.367 1.00 0.00 WT1 O ATOM 25661 H1 TIP3 8830 -3.209 -12.633 -6.053 1.00 0.00 WT1 H ATOM 25662 H2 TIP3 8830 5.810 12.183 -0.382 1.00 0.00 WT1 H ATOM 25663 OH2 TIP3 8832 -6.055 3.983 3.590 1.00 0.00 WT1 O ATOM 25664 H1 TIP3 8832 -5.495 22.152 -6.538 1.00 0.00 WT1 H ATOM 25665 H2 TIP3 8832 1.407 11.632 -10.239 1.00 0.00 WT1 H ATOM 25666 OH2 TIP3 8833 3.659 6.819 0.085 1.00 0.00 WT1 O ATOM 25667 H1 TIP3 8833 -1.405 -2.424 4.260 1.00 0.00 WT1 H ATOM 25668 H2 TIP3 8833 15.189 -6.341 3.968 1.00 0.00 WT1 H ATOM 25669 OH2 TIP3 8834 3.378 -6.064 0.475 1.00 0.00 WT1 O ATOM 25670 H1 TIP3 8834 -3.839 4.177 -5.237 1.00 0.00 WT1 H ATOM 25671 H2 TIP3 8834 -5.287 5.973 -6.380 1.00 0.00 WT1 H ATOM 25672 OH2 TIP3 8835 10.177 -3.745 -1.884 1.00 0.00 WT1 O ATOM 25673 H1 TIP3 8835 6.689 -20.878 32.795 1.00 0.00 WT1 H ATOM 25674 H2 TIP3 8835 1.555 7.997 -14.139 1.00 0.00 WT1 H ATOM 25675 OH2 TIP3 8836 -4.661 2.966 2.642 1.00 0.00 WT1 O ATOM 25676 H1 TIP3 8836 23.025 -10.560 -3.427 1.00 0.00 WT1 H ATOM 25677 H2 TIP3 8836 6.936 -8.068 22.386 1.00 0.00 WT1 H ATOM 25678 OH2 TIP3 8837 -2.997 4.916 0.115 1.00 0.00 WT1 O ATOM 25679 H1 TIP3 8837 -0.297 8.643 5.219 1.00 0.00 WT1 H ATOM 25680 H2 TIP3 8837 -10.316 -1.840 -14.289 1.00 0.00 WT1 H ATOM 25681 OH2 TIP3 8839 -7.745 -0.042 -2.198 1.00 0.00 WT1 O ATOM 25682 H1 TIP3 8839 -11.186 6.936 -6.454 1.00 0.00 WT1 H ATOM 25683 H2 TIP3 8839 -1.306 -16.512 3.255 1.00 0.00 WT1 H ATOM 25684 OH2 TIP3 8840 0.446 -1.149 7.586 1.00 0.00 WT1 O ATOM 25685 H1 TIP3 8840 4.934 -10.033 5.417 1.00 0.00 WT1 H ATOM 25686 H2 TIP3 8840 2.230 0.194 2.853 1.00 0.00 WT1 H ATOM 25687 OH2 TIP3 8841 2.981 -11.818 -3.061 1.00 0.00 WT1 O ATOM 25688 H1 TIP3 8841 9.064 -1.606 1.353 1.00 0.00 WT1 H ATOM 25689 H2 TIP3 8841 18.831 -8.135 -12.688 1.00 0.00 WT1 H ATOM 25690 OH2 TIP3 8842 -3.635 -1.820 -0.515 1.00 0.00 WT1 O ATOM 25691 H1 TIP3 8842 -26.448 0.976 13.377 1.00 0.00 WT1 H ATOM 25692 H2 TIP3 8842 25.658 3.378 -24.723 1.00 0.00 WT1 H ATOM 25693 OH2 TIP3 8843 0.278 -0.407 1.569 1.00 0.00 WT1 O ATOM 25694 H1 TIP3 8843 2.311 -12.590 6.858 1.00 0.00 WT1 H ATOM 25695 H2 TIP3 8843 -1.165 4.985 -0.849 1.00 0.00 WT1 H ATOM 25696 OH2 TIP3 8844 -1.821 -5.376 3.979 1.00 0.00 WT1 O ATOM 25697 H1 TIP3 8844 -0.194 -2.456 20.929 1.00 0.00 WT1 H ATOM 25698 H2 TIP3 8844 -1.491 -3.069 -6.306 1.00 0.00 WT1 H ATOM 25699 OH2 TIP3 8845 -11.551 2.324 -2.835 1.00 0.00 WT1 O ATOM 25700 H1 TIP3 8845 -7.442 5.255 -6.745 1.00 0.00 WT1 H ATOM 25701 H2 TIP3 8845 -16.215 -1.099 3.349 1.00 0.00 WT1 H ATOM 25702 OH2 TIP3 8846 -6.266 -0.928 3.346 1.00 0.00 WT1 O ATOM 25703 H1 TIP3 8846 -5.496 6.315 3.679 1.00 0.00 WT1 H ATOM 25704 H2 TIP3 8846 -5.018 2.710 -0.503 1.00 0.00 WT1 H ATOM 25705 OH2 TIP3 8847 -3.920 2.329 -3.685 1.00 0.00 WT1 O ATOM 25706 H1 TIP3 8847 15.241 -3.354 -4.450 1.00 0.00 WT1 H ATOM 25707 H2 TIP3 8847 4.747 24.759 20.467 1.00 0.00 WT1 H ATOM 25708 OH2 TIP3 8848 0.946 10.317 -0.204 1.00 0.00 WT1 O ATOM 25709 H1 TIP3 8848 -4.858 1.056 -14.519 1.00 0.00 WT1 H ATOM 25710 H2 TIP3 8848 0.706 -14.214 9.328 1.00 0.00 WT1 H ATOM 25711 OH2 TIP3 8849 -0.135 -7.382 3.609 1.00 0.00 WT1 O ATOM 25712 H1 TIP3 8849 -5.124 -21.057 2.512 1.00 0.00 WT1 H ATOM 25713 H2 TIP3 8849 -5.434 -11.928 -0.070 1.00 0.00 WT1 H ATOM 25714 OH2 TIP3 8850 -6.232 4.217 -1.153 1.00 0.00 WT1 O ATOM 25715 H1 TIP3 8850 -18.240 -8.109 5.029 1.00 0.00 WT1 H ATOM 25716 H2 TIP3 8850 -27.122 10.265 15.671 1.00 0.00 WT1 H ATOM 25717 OH2 TIP3 8851 -1.350 -2.793 2.856 1.00 0.00 WT1 O ATOM 25718 H1 TIP3 8851 -1.211 -11.567 -10.899 1.00 0.00 WT1 H ATOM 25719 H2 TIP3 8851 -2.227 7.894 7.987 1.00 0.00 WT1 H ATOM 25720 OH2 TIP3 8852 1.207 -1.847 0.414 1.00 0.00 WT1 O ATOM 25721 H1 TIP3 8852 -4.459 -4.797 -8.493 1.00 0.00 WT1 H ATOM 25722 H2 TIP3 8852 -9.997 -0.080 6.362 1.00 0.00 WT1 H ATOM 25723 OH2 TIP3 8853 -1.530 -1.778 -0.422 1.00 0.00 WT1 O ATOM 25724 H1 TIP3 8853 1.335 18.490 4.882 1.00 0.00 WT1 H ATOM 25725 H2 TIP3 8853 4.392 16.817 13.074 1.00 0.00 WT1 H ATOM 25726 OH2 TIP3 8854 0.030 -2.492 -0.356 1.00 0.00 WT1 O ATOM 25727 H1 TIP3 8854 8.266 6.487 -12.878 1.00 0.00 WT1 H ATOM 25728 H2 TIP3 8854 -14.009 -2.155 0.802 1.00 0.00 WT1 H ATOM 25729 OH2 TIP3 8855 -4.514 4.133 1.614 1.00 0.00 WT1 O ATOM 25730 H1 TIP3 8855 -23.847 -21.807 25.130 1.00 0.00 WT1 H ATOM 25731 H2 TIP3 8855 8.151 3.382 13.021 1.00 0.00 WT1 H ATOM 25732 OH2 TIP3 8856 0.510 3.451 -6.988 1.00 0.00 WT1 O ATOM 25733 H1 TIP3 8856 -7.462 11.172 -15.778 1.00 0.00 WT1 H ATOM 25734 H2 TIP3 8856 6.644 3.212 -3.935 1.00 0.00 WT1 H ATOM 25735 OH2 TIP3 8857 6.307 -3.095 -5.525 1.00 0.00 WT1 O ATOM 25736 H1 TIP3 8857 31.892 4.921 -17.031 1.00 0.00 WT1 H ATOM 25737 H2 TIP3 8857 24.865 -46.728 -4.804 1.00 0.00 WT1 H ATOM 25738 OH2 TIP3 8858 -1.090 4.022 6.104 1.00 0.00 WT1 O ATOM 25739 H1 TIP3 8858 -1.911 4.121 9.233 1.00 0.00 WT1 H ATOM 25740 H2 TIP3 8858 -0.771 5.037 3.564 1.00 0.00 WT1 H ATOM 25741 OH2 TIP3 8859 3.051 2.825 -3.230 1.00 0.00 WT1 O ATOM 25742 H1 TIP3 8859 -3.740 -6.177 8.350 1.00 0.00 WT1 H ATOM 25743 H2 TIP3 8859 12.198 -9.113 8.289 1.00 0.00 WT1 H ATOM 25744 OH2 TIP3 8860 3.640 -2.300 -1.916 1.00 0.00 WT1 O ATOM 25745 H1 TIP3 8860 3.113 -13.443 6.706 1.00 0.00 WT1 H ATOM 25746 H2 TIP3 8860 8.281 -1.387 1.261 1.00 0.00 WT1 H ATOM 25747 OH2 TIP3 8861 4.470 4.564 5.200 1.00 0.00 WT1 O ATOM 25748 H1 TIP3 8861 10.045 -7.023 9.699 1.00 0.00 WT1 H ATOM 25749 H2 TIP3 8861 8.870 -16.058 14.048 1.00 0.00 WT1 H ATOM 25750 OH2 TIP3 8863 0.755 1.971 0.808 1.00 0.00 WT1 O ATOM 25751 H1 TIP3 8863 7.125 0.398 5.242 1.00 0.00 WT1 H ATOM 25752 H2 TIP3 8863 6.154 -0.258 17.898 1.00 0.00 WT1 H ATOM 25753 OH2 TIP3 8864 0.291 -5.886 4.156 1.00 0.00 WT1 O ATOM 25754 H1 TIP3 8864 9.015 -4.764 4.035 1.00 0.00 WT1 H ATOM 25755 H2 TIP3 8864 -10.529 -9.320 0.426 1.00 0.00 WT1 H ATOM 25756 OH2 TIP3 8865 3.103 -0.817 1.583 1.00 0.00 WT1 O ATOM 25757 H1 TIP3 8865 -21.284 -12.249 -3.781 1.00 0.00 WT1 H ATOM 25758 H2 TIP3 8865 12.262 1.332 1.193 1.00 0.00 WT1 H ATOM 25759 OH2 TIP3 8866 6.835 1.575 -10.483 1.00 0.00 WT1 O ATOM 25760 H1 TIP3 8866 -2.196 -20.384 2.295 1.00 0.00 WT1 H ATOM 25761 H2 TIP3 8866 -13.049 -18.119 -0.914 1.00 0.00 WT1 H ATOM 25762 OH2 TIP3 8867 1.667 -0.024 3.158 1.00 0.00 WT1 O ATOM 25763 H1 TIP3 8867 11.783 31.998 6.838 1.00 0.00 WT1 H ATOM 25764 H2 TIP3 8867 -2.032 -13.536 1.522 1.00 0.00 WT1 H ATOM 25765 OH2 TIP3 8868 -2.983 -1.430 -2.222 1.00 0.00 WT1 O ATOM 25766 H1 TIP3 8868 -2.515 -3.994 4.892 1.00 0.00 WT1 H ATOM 25767 H2 TIP3 8868 -22.984 -37.993 13.606 1.00 0.00 WT1 H ATOM 25768 OH2 TIP3 8869 1.996 1.801 -0.604 1.00 0.00 WT1 O ATOM 25769 H1 TIP3 8869 3.046 4.249 1.653 1.00 0.00 WT1 H ATOM 25770 H2 TIP3 8869 5.639 6.745 5.407 1.00 0.00 WT1 H ATOM 25771 OH2 TIP3 8870 2.329 2.037 0.253 1.00 0.00 WT1 O ATOM 25772 H1 TIP3 8870 -11.108 21.083 -12.648 1.00 0.00 WT1 H ATOM 25773 H2 TIP3 8870 29.978 13.866 17.146 1.00 0.00 WT1 H ATOM 25774 OH2 TIP3 8871 4.302 1.109 4.311 1.00 0.00 WT1 O ATOM 25775 H1 TIP3 8871 -6.864 -10.399 0.639 1.00 0.00 WT1 H ATOM 25776 H2 TIP3 8871 3.735 -1.533 -4.972 1.00 0.00 WT1 H ATOM 25777 OH2 TIP3 8872 7.859 -4.225 0.750 1.00 0.00 WT1 O ATOM 25778 H1 TIP3 8872 15.525 -25.656 3.068 1.00 0.00 WT1 H ATOM 25779 H2 TIP3 8872 10.822 -28.689 9.830 1.00 0.00 WT1 H ATOM 25780 OH2 TIP3 8873 -2.579 -4.579 -2.558 1.00 0.00 WT1 O ATOM 25781 H1 TIP3 8873 -14.304 -12.976 -10.025 1.00 0.00 WT1 H ATOM 25782 H2 TIP3 8873 -1.648 -3.876 -1.146 1.00 0.00 WT1 H ATOM 25783 OH2 TIP3 8874 -6.245 -5.202 -0.740 1.00 0.00 WT1 O ATOM 25784 H1 TIP3 8874 -26.198 -3.054 15.932 1.00 0.00 WT1 H ATOM 25785 H2 TIP3 8874 14.971 2.155 13.390 1.00 0.00 WT1 H ATOM 25786 OH2 TIP3 8875 5.906 -1.279 -0.328 1.00 0.00 WT1 O ATOM 25787 H1 TIP3 8875 -13.624 8.348 -0.059 1.00 0.00 WT1 H ATOM 25788 H2 TIP3 8875 -22.231 12.646 -0.552 1.00 0.00 WT1 H ATOM 25789 OH2 TIP3 8876 -2.950 -5.996 2.409 1.00 0.00 WT1 O ATOM 25790 H1 TIP3 8876 37.676 -16.770 -17.845 1.00 0.00 WT1 H ATOM 25791 H2 TIP3 8876 -4.718 -16.472 -5.184 1.00 0.00 WT1 H ATOM 25792 OH2 TIP3 8877 6.121 -2.857 2.238 1.00 0.00 WT1 O ATOM 25793 H1 TIP3 8877 14.564 -11.988 3.972 1.00 0.00 WT1 H ATOM 25794 H2 TIP3 8877 -3.566 2.510 0.991 1.00 0.00 WT1 H ATOM 25795 OH2 TIP3 8878 4.946 -4.375 1.171 1.00 0.00 WT1 O ATOM 25796 H1 TIP3 8878 16.123 -5.252 -1.683 1.00 0.00 WT1 H ATOM 25797 H2 TIP3 8878 1.943 -4.539 1.349 1.00 0.00 WT1 H ATOM 25798 OH2 TIP3 8879 -0.198 -1.279 0.443 1.00 0.00 WT1 O ATOM 25799 H1 TIP3 8879 23.858 -7.834 15.007 1.00 0.00 WT1 H ATOM 25800 H2 TIP3 8879 -12.380 4.841 -0.907 1.00 0.00 WT1 H ATOM 25801 OH2 TIP3 8880 7.046 -1.200 -4.482 1.00 0.00 WT1 O ATOM 25802 H1 TIP3 8880 -14.722 -33.057 -32.259 1.00 0.00 WT1 H ATOM 25803 H2 TIP3 8880 -4.334 -34.680 -1.854 1.00 0.00 WT1 H ATOM 25804 OH2 TIP3 8881 -1.276 2.801 -6.461 1.00 0.00 WT1 O ATOM 25805 H1 TIP3 8881 -7.990 18.108 6.051 1.00 0.00 WT1 H ATOM 25806 H2 TIP3 8881 -11.536 16.153 -12.429 1.00 0.00 WT1 H ATOM 25807 OH2 TIP3 8882 5.949 -0.157 2.526 1.00 0.00 WT1 O ATOM 25808 H1 TIP3 8882 -11.873 4.530 7.997 1.00 0.00 WT1 H ATOM 25809 H2 TIP3 8882 -10.091 10.034 -4.214 1.00 0.00 WT1 H ATOM 25810 OH2 TIP3 8883 5.364 2.172 -2.631 1.00 0.00 WT1 O ATOM 25811 H1 TIP3 8883 -2.029 6.477 19.789 1.00 0.00 WT1 H ATOM 25812 H2 TIP3 8883 -11.994 19.177 1.142 1.00 0.00 WT1 H ATOM 25813 OH2 TIP3 8884 0.835 -0.837 -1.096 1.00 0.00 WT1 O ATOM 25814 H1 TIP3 8884 -10.002 -12.269 -0.479 1.00 0.00 WT1 H ATOM 25815 H2 TIP3 8884 15.696 -3.939 -3.126 1.00 0.00 WT1 H ATOM 25816 OH2 TIP3 8885 1.070 -1.605 0.642 1.00 0.00 WT1 O ATOM 25817 H1 TIP3 8885 -1.318 10.945 -6.225 1.00 0.00 WT1 H ATOM 25818 H2 TIP3 8885 -3.573 5.662 -9.264 1.00 0.00 WT1 H ATOM 25819 OH2 TIP3 8886 -1.345 3.589 -1.474 1.00 0.00 WT1 O ATOM 25820 H1 TIP3 8886 -19.613 2.133 -5.635 1.00 0.00 WT1 H ATOM 25821 H2 TIP3 8886 8.380 -1.070 1.005 1.00 0.00 WT1 H ATOM 25822 OH2 TIP3 8887 5.819 -1.128 0.341 1.00 0.00 WT1 O ATOM 25823 H1 TIP3 8887 6.716 -0.377 -17.541 1.00 0.00 WT1 H ATOM 25824 H2 TIP3 8887 -4.108 5.430 5.999 1.00 0.00 WT1 H ATOM 25825 OH2 TIP3 8888 2.582 0.677 -2.899 1.00 0.00 WT1 O ATOM 25826 H1 TIP3 8888 13.360 -6.056 17.669 1.00 0.00 WT1 H ATOM 25827 H2 TIP3 8888 -5.377 16.970 -37.099 1.00 0.00 WT1 H ATOM 25828 OH2 TIP3 8889 -5.676 4.935 2.518 1.00 0.00 WT1 O ATOM 25829 H1 TIP3 8889 43.310 28.722 -8.040 1.00 0.00 WT1 H ATOM 25830 H2 TIP3 8889 -8.141 4.403 5.520 1.00 0.00 WT1 H ATOM 25831 OH2 TIP3 8890 -2.136 1.413 3.729 1.00 0.00 WT1 O ATOM 25832 H1 TIP3 8890 -7.790 -8.179 -11.266 1.00 0.00 WT1 H ATOM 25833 H2 TIP3 8890 -10.606 -19.829 15.896 1.00 0.00 WT1 H ATOM 25834 OH2 TIP3 8891 -1.421 4.302 -2.563 1.00 0.00 WT1 O ATOM 25835 H1 TIP3 8891 9.096 -9.857 11.874 1.00 0.00 WT1 H ATOM 25836 H2 TIP3 8891 5.164 14.542 -2.516 1.00 0.00 WT1 H ATOM 25837 OH2 TIP3 8893 11.437 -4.043 5.265 1.00 0.00 WT1 O ATOM 25838 H1 TIP3 8893 18.561 0.095 10.726 1.00 0.00 WT1 H ATOM 25839 H2 TIP3 8893 18.803 -16.667 6.436 1.00 0.00 WT1 H ATOM 25840 OH2 TIP3 8894 -0.525 -2.422 0.555 1.00 0.00 WT1 O ATOM 25841 H1 TIP3 8894 0.187 4.321 -10.052 1.00 0.00 WT1 H ATOM 25842 H2 TIP3 8894 -29.313 9.201 19.062 1.00 0.00 WT1 H ATOM 25843 OH2 TIP3 8895 1.991 -0.895 -1.467 1.00 0.00 WT1 O ATOM 25844 H1 TIP3 8895 -6.693 -0.464 -1.165 1.00 0.00 WT1 H ATOM 25845 H2 TIP3 8895 7.544 -2.672 6.945 1.00 0.00 WT1 H ATOM 25846 OH2 TIP3 8896 -5.498 5.533 -0.509 1.00 0.00 WT1 O ATOM 25847 H1 TIP3 8896 0.103 7.298 -18.180 1.00 0.00 WT1 H ATOM 25848 H2 TIP3 8896 -6.194 13.301 -5.374 1.00 0.00 WT1 H ATOM 25849 OH2 TIP3 8897 3.526 1.830 -6.515 1.00 0.00 WT1 O ATOM 25850 H1 TIP3 8897 -13.643 9.211 -4.495 1.00 0.00 WT1 H ATOM 25851 H2 TIP3 8897 -23.493 -23.379 -9.213 1.00 0.00 WT1 H ATOM 25852 OH2 TIP3 8898 -0.980 -7.051 1.290 1.00 0.00 WT1 O ATOM 25853 H1 TIP3 8898 11.901 2.778 15.958 1.00 0.00 WT1 H ATOM 25854 H2 TIP3 8898 -9.491 -12.694 0.102 1.00 0.00 WT1 H ATOM 25855 OH2 TIP3 8899 -2.431 -4.303 3.639 1.00 0.00 WT1 O ATOM 25856 H1 TIP3 8899 4.850 -9.828 1.619 1.00 0.00 WT1 H ATOM 25857 H2 TIP3 8899 -1.413 8.138 25.631 1.00 0.00 WT1 H ATOM 25858 OH2 TIP3 8900 -1.720 2.597 -9.941 1.00 0.00 WT1 O ATOM 25859 H1 TIP3 8900 14.264 2.215 -18.501 1.00 0.00 WT1 H ATOM 25860 H2 TIP3 8900 -6.884 -5.908 -10.397 1.00 0.00 WT1 H ATOM 25861 OH2 TIP3 8901 3.605 1.854 -2.103 1.00 0.00 WT1 O ATOM 25862 H1 TIP3 8901 -14.289 -15.351 1.062 1.00 0.00 WT1 H ATOM 25863 H2 TIP3 8901 -14.819 -10.650 -13.383 1.00 0.00 WT1 H ATOM 25864 OH2 TIP3 8902 1.111 5.370 0.125 1.00 0.00 WT1 O ATOM 25865 H1 TIP3 8902 -16.869 -0.877 -3.132 1.00 0.00 WT1 H ATOM 25866 H2 TIP3 8902 -16.289 10.423 20.720 1.00 0.00 WT1 H ATOM 25867 OH2 TIP3 8903 -6.494 1.497 2.414 1.00 0.00 WT1 O ATOM 25868 H1 TIP3 8903 -2.612 14.732 -9.709 1.00 0.00 WT1 H ATOM 25869 H2 TIP3 8903 -6.626 -0.231 5.169 1.00 0.00 WT1 H ATOM 25870 OH2 TIP3 8904 1.915 -0.195 0.604 1.00 0.00 WT1 O ATOM 25871 H1 TIP3 8904 -0.256 6.714 15.977 1.00 0.00 WT1 H ATOM 25872 H2 TIP3 8904 -0.163 19.495 -0.143 1.00 0.00 WT1 H ATOM 25873 OH2 TIP3 8905 -2.565 -6.669 -2.312 1.00 0.00 WT1 O ATOM 25874 H1 TIP3 8905 12.479 4.649 -1.439 1.00 0.00 WT1 H ATOM 25875 H2 TIP3 8905 2.000 -4.575 0.360 1.00 0.00 WT1 H ATOM 25876 OH2 TIP3 8906 -4.118 -2.418 -3.190 1.00 0.00 WT1 O ATOM 25877 H1 TIP3 8906 9.655 -3.677 -21.038 1.00 0.00 WT1 H ATOM 25878 H2 TIP3 8906 7.542 -19.693 -5.984 1.00 0.00 WT1 H ATOM 25879 OH2 TIP3 8907 4.894 7.054 0.669 1.00 0.00 WT1 O ATOM 25880 H1 TIP3 8907 5.447 -9.838 5.787 1.00 0.00 WT1 H ATOM 25881 H2 TIP3 8907 -19.398 -15.796 19.690 1.00 0.00 WT1 H ATOM 25882 OH2 TIP3 8908 1.512 8.194 -2.959 1.00 0.00 WT1 O ATOM 25883 H1 TIP3 8908 0.419 1.648 -1.664 1.00 0.00 WT1 H ATOM 25884 H2 TIP3 8908 6.889 1.613 6.684 1.00 0.00 WT1 H ATOM 25885 OH2 TIP3 8909 7.865 1.224 2.879 1.00 0.00 WT1 O ATOM 25886 H1 TIP3 8909 2.101 4.656 -2.434 1.00 0.00 WT1 H ATOM 25887 H2 TIP3 8909 7.129 4.351 -9.116 1.00 0.00 WT1 H ATOM 25888 OH2 TIP3 8910 8.478 2.398 4.755 1.00 0.00 WT1 O ATOM 25889 H1 TIP3 8910 10.022 1.759 6.786 1.00 0.00 WT1 H ATOM 25890 H2 TIP3 8910 11.443 -0.004 9.057 1.00 0.00 WT1 H ATOM 25891 OH2 TIP3 8911 4.907 -0.166 3.015 1.00 0.00 WT1 O ATOM 25892 H1 TIP3 8911 2.900 9.307 26.018 1.00 0.00 WT1 H ATOM 25893 H2 TIP3 8911 -5.459 -12.775 -2.490 1.00 0.00 WT1 H ATOM 25894 OH2 TIP3 8912 -2.134 2.019 0.547 1.00 0.00 WT1 O ATOM 25895 H1 TIP3 8912 7.869 2.697 3.018 1.00 0.00 WT1 H ATOM 25896 H2 TIP3 8912 -5.567 8.482 19.160 1.00 0.00 WT1 H ATOM 25897 OH2 TIP3 8913 -0.750 -3.064 2.091 1.00 0.00 WT1 O ATOM 25898 H1 TIP3 8913 -30.556 -8.971 20.070 1.00 0.00 WT1 H ATOM 25899 H2 TIP3 8913 3.450 -14.041 6.509 1.00 0.00 WT1 H ATOM 25900 OH2 TIP3 8914 -1.526 3.763 0.057 1.00 0.00 WT1 O ATOM 25901 H1 TIP3 8914 9.490 10.455 1.680 1.00 0.00 WT1 H ATOM 25902 H2 TIP3 8914 -18.622 -4.485 -8.930 1.00 0.00 WT1 H ATOM 25903 OH2 TIP3 8915 -2.852 -4.335 -3.086 1.00 0.00 WT1 O ATOM 25904 H1 TIP3 8915 -12.716 -23.970 11.076 1.00 0.00 WT1 H ATOM 25905 H2 TIP3 8915 -9.083 -15.121 -14.572 1.00 0.00 WT1 H ATOM 25906 OH2 TIP3 8916 14.908 3.618 -0.390 1.00 0.00 WT1 O ATOM 25907 H1 TIP3 8916 20.010 -2.900 9.521 1.00 0.00 WT1 H ATOM 25908 H2 TIP3 8916 5.689 -4.877 -5.967 1.00 0.00 WT1 H ATOM 25909 OH2 TIP3 8917 0.977 -0.840 -0.210 1.00 0.00 WT1 O ATOM 25910 H1 TIP3 8917 10.995 -0.331 -2.114 1.00 0.00 WT1 H ATOM 25911 H2 TIP3 8917 14.211 -0.407 -13.251 1.00 0.00 WT1 H ATOM 25912 OH2 TIP3 8918 0.656 1.304 3.176 1.00 0.00 WT1 O ATOM 25913 H1 TIP3 8918 -14.207 -3.901 -0.983 1.00 0.00 WT1 H ATOM 25914 H2 TIP3 8918 -22.619 5.062 8.761 1.00 0.00 WT1 H ATOM 25915 OH2 TIP3 8919 2.567 4.119 1.422 1.00 0.00 WT1 O ATOM 25916 H1 TIP3 8919 10.272 4.288 -21.976 1.00 0.00 WT1 H ATOM 25917 H2 TIP3 8919 7.026 13.646 -10.279 1.00 0.00 WT1 H ATOM 25918 OH2 TIP3 8920 4.287 4.200 2.928 1.00 0.00 WT1 O ATOM 25919 H1 TIP3 8920 8.755 10.520 6.970 1.00 0.00 WT1 H ATOM 25920 H2 TIP3 8920 -2.652 7.541 1.270 1.00 0.00 WT1 H ATOM 25921 OH2 TIP3 8921 -0.492 -0.150 4.661 1.00 0.00 WT1 O ATOM 25922 H1 TIP3 8921 8.357 6.869 -0.051 1.00 0.00 WT1 H ATOM 25923 H2 TIP3 8921 11.017 -18.036 23.620 1.00 0.00 WT1 H ATOM 25924 OH2 TIP3 8922 -3.268 4.092 -0.591 1.00 0.00 WT1 O ATOM 25925 H1 TIP3 8922 -11.803 5.746 23.531 1.00 0.00 WT1 H ATOM 25926 H2 TIP3 8922 -5.678 -0.647 -5.875 1.00 0.00 WT1 H ATOM 25927 OH2 TIP3 8923 0.495 4.290 -0.354 1.00 0.00 WT1 O ATOM 25928 H1 TIP3 8923 10.246 -13.290 1.455 1.00 0.00 WT1 H ATOM 25929 H2 TIP3 8923 1.287 8.081 -5.623 1.00 0.00 WT1 H ATOM 25930 OH2 TIP3 8924 1.757 2.720 1.387 1.00 0.00 WT1 O ATOM 25931 H1 TIP3 8924 3.438 4.035 38.701 1.00 0.00 WT1 H ATOM 25932 H2 TIP3 8924 -0.553 -9.799 -16.746 1.00 0.00 WT1 H ATOM 25933 OH2 TIP3 8926 -6.089 -0.213 0.846 1.00 0.00 WT1 O ATOM 25934 H1 TIP3 8926 -10.602 -15.009 -4.843 1.00 0.00 WT1 H ATOM 25935 H2 TIP3 8926 0.568 7.596 1.057 1.00 0.00 WT1 H ATOM 25936 OH2 TIP3 8927 0.437 -1.662 -1.032 1.00 0.00 WT1 O ATOM 25937 H1 TIP3 8927 -0.071 -0.049 -2.445 1.00 0.00 WT1 H ATOM 25938 H2 TIP3 8927 -1.081 2.296 -3.450 1.00 0.00 WT1 H ATOM 25939 OH2 TIP3 8928 -1.397 3.207 0.974 1.00 0.00 WT1 O ATOM 25940 H1 TIP3 8928 -5.442 -7.602 -9.440 1.00 0.00 WT1 H ATOM 25941 H2 TIP3 8928 13.585 7.586 -4.835 1.00 0.00 WT1 H ATOM 25942 OH2 TIP3 8929 11.041 0.614 5.656 1.00 0.00 WT1 O ATOM 25943 H1 TIP3 8929 33.160 -11.021 0.234 1.00 0.00 WT1 H ATOM 25944 H2 TIP3 8929 -26.275 30.879 -12.101 1.00 0.00 WT1 H ATOM 25945 OH2 TIP3 8930 -7.111 -4.457 0.574 1.00 0.00 WT1 O ATOM 25946 H1 TIP3 8930 -0.528 26.385 -13.523 1.00 0.00 WT1 H ATOM 25947 H2 TIP3 8930 8.259 -18.320 0.970 1.00 0.00 WT1 H ATOM 25948 OH2 TIP3 8931 -0.307 -1.814 -9.270 1.00 0.00 WT1 O ATOM 25949 H1 TIP3 8931 4.416 -3.627 -12.591 1.00 0.00 WT1 H ATOM 25950 H2 TIP3 8931 -10.251 4.866 2.672 1.00 0.00 WT1 H ATOM 25951 OH2 TIP3 8932 -0.661 1.085 11.338 1.00 0.00 WT1 O ATOM 25952 H1 TIP3 8932 0.145 -5.503 12.818 1.00 0.00 WT1 H ATOM 25953 H2 TIP3 8932 -29.757 -15.080 -6.530 1.00 0.00 WT1 H ATOM 25954 OH2 TIP3 8933 2.961 -7.621 -3.225 1.00 0.00 WT1 O ATOM 25955 H1 TIP3 8933 18.255 4.804 -6.906 1.00 0.00 WT1 H ATOM 25956 H2 TIP3 8933 10.063 -3.241 -0.990 1.00 0.00 WT1 H ATOM 25957 OH2 TIP3 8934 1.681 -4.275 0.192 1.00 0.00 WT1 O ATOM 25958 H1 TIP3 8934 9.859 3.476 11.631 1.00 0.00 WT1 H ATOM 25959 H2 TIP3 8934 -3.658 8.508 -9.627 1.00 0.00 WT1 H ATOM 25960 OH2 TIP3 8935 2.759 4.748 -1.001 1.00 0.00 WT1 O ATOM 25961 H1 TIP3 8935 11.951 4.718 -17.058 1.00 0.00 WT1 H ATOM 25962 H2 TIP3 8935 8.656 -3.355 -7.281 1.00 0.00 WT1 H ATOM 25963 OH2 TIP3 8936 -0.067 -0.393 -1.130 1.00 0.00 WT1 O ATOM 25964 H1 TIP3 8936 -16.394 26.338 13.229 1.00 0.00 WT1 H ATOM 25965 H2 TIP3 8936 0.943 0.530 6.402 1.00 0.00 WT1 H ATOM 25966 OH2 TIP3 8937 1.918 0.169 -1.416 1.00 0.00 WT1 O ATOM 25967 H1 TIP3 8937 -0.796 -1.106 -5.953 1.00 0.00 WT1 H ATOM 25968 H2 TIP3 8937 -1.484 2.404 -1.893 1.00 0.00 WT1 H ATOM 25969 OH2 TIP3 8938 -6.421 -2.480 -1.342 1.00 0.00 WT1 O ATOM 25970 H1 TIP3 8938 1.495 2.595 5.334 1.00 0.00 WT1 H ATOM 25971 H2 TIP3 8938 -0.654 -4.108 -3.023 1.00 0.00 WT1 H ATOM 25972 OH2 TIP3 8939 5.451 3.467 -2.829 1.00 0.00 WT1 O ATOM 25973 H1 TIP3 8939 -5.159 -0.524 5.378 1.00 0.00 WT1 H ATOM 25974 H2 TIP3 8939 -11.625 9.070 4.993 1.00 0.00 WT1 H ATOM 25975 OH2 TIP3 8940 1.678 2.631 0.904 1.00 0.00 WT1 O ATOM 25976 H1 TIP3 8940 -0.058 -6.495 2.261 1.00 0.00 WT1 H ATOM 25977 H2 TIP3 8940 21.534 6.861 -0.414 1.00 0.00 WT1 H ATOM 25978 OH2 TIP3 8941 2.859 -2.902 -8.451 1.00 0.00 WT1 O ATOM 25979 H1 TIP3 8941 20.061 -5.720 -7.337 1.00 0.00 WT1 H ATOM 25980 H2 TIP3 8941 9.726 2.035 -18.609 1.00 0.00 WT1 H ATOM 25981 OH2 TIP3 8942 -4.941 -2.000 -3.674 1.00 0.00 WT1 O ATOM 25982 H1 TIP3 8942 9.152 -4.554 -7.772 1.00 0.00 WT1 H ATOM 25983 H2 TIP3 8942 -8.639 11.686 -4.094 1.00 0.00 WT1 H ATOM 25984 OH2 TIP3 8943 -1.183 -2.956 0.493 1.00 0.00 WT1 O ATOM 25985 H1 TIP3 8943 -7.944 2.949 -25.230 1.00 0.00 WT1 H ATOM 25986 H2 TIP3 8943 5.857 -7.301 -15.204 1.00 0.00 WT1 H ATOM 25987 OH2 TIP3 8944 2.308 4.547 -2.509 1.00 0.00 WT1 O ATOM 25988 H1 TIP3 8944 -22.096 13.181 -8.030 1.00 0.00 WT1 H ATOM 25989 H2 TIP3 8944 10.994 12.234 -2.503 1.00 0.00 WT1 H ATOM 25990 OH2 TIP3 8945 -1.910 -2.353 1.226 1.00 0.00 WT1 O ATOM 25991 H1 TIP3 8945 15.474 9.570 13.983 1.00 0.00 WT1 H ATOM 25992 H2 TIP3 8945 0.769 -6.234 -32.678 1.00 0.00 WT1 H ATOM 25993 OH2 TIP3 8946 -1.629 -0.678 -5.017 1.00 0.00 WT1 O ATOM 25994 H1 TIP3 8946 0.624 6.815 8.416 1.00 0.00 WT1 H ATOM 25995 H2 TIP3 8946 36.960 13.243 31.070 1.00 0.00 WT1 H ATOM 25996 OH2 TIP3 8947 3.374 -10.395 6.465 1.00 0.00 WT1 O ATOM 25997 H1 TIP3 8947 37.704 -10.711 -2.199 1.00 0.00 WT1 H ATOM 25998 H2 TIP3 8947 12.581 -9.023 5.843 1.00 0.00 WT1 H ATOM 25999 OH2 TIP3 8948 1.749 -1.773 0.736 1.00 0.00 WT1 O ATOM 26000 H1 TIP3 8948 -3.966 0.318 -15.628 1.00 0.00 WT1 H ATOM 26001 H2 TIP3 8948 1.929 -0.688 -0.852 1.00 0.00 WT1 H ATOM 26002 OH2 TIP3 8949 2.136 1.035 3.220 1.00 0.00 WT1 O ATOM 26003 H1 TIP3 8949 -9.472 3.102 -5.357 1.00 0.00 WT1 H ATOM 26004 H2 TIP3 8949 -4.042 3.747 0.837 1.00 0.00 WT1 H ATOM 26005 OH2 TIP3 8950 -1.303 4.469 1.472 1.00 0.00 WT1 O ATOM 26006 H1 TIP3 8950 3.508 14.281 6.609 1.00 0.00 WT1 H ATOM 26007 H2 TIP3 8950 -25.757 6.084 -6.307 1.00 0.00 WT1 H ATOM 26008 OH2 TIP3 8951 -2.700 -2.262 -1.478 1.00 0.00 WT1 O ATOM 26009 H1 TIP3 8951 8.835 -16.868 11.884 1.00 0.00 WT1 H ATOM 26010 H2 TIP3 8951 6.775 -17.748 10.016 1.00 0.00 WT1 H ATOM 26011 OH2 TIP3 8952 3.240 5.844 -2.459 1.00 0.00 WT1 O ATOM 26012 H1 TIP3 8952 -18.840 1.602 -4.188 1.00 0.00 WT1 H ATOM 26013 H2 TIP3 8952 -0.717 -27.873 -11.382 1.00 0.00 WT1 H ATOM 26014 OH2 TIP3 8953 -0.203 -3.026 1.028 1.00 0.00 WT1 O ATOM 26015 H1 TIP3 8953 -36.047 4.176 3.582 1.00 0.00 WT1 H ATOM 26016 H2 TIP3 8953 3.544 23.395 -11.985 1.00 0.00 WT1 H ATOM 26017 OH2 TIP3 8954 -3.778 -2.443 1.009 1.00 0.00 WT1 O ATOM 26018 H1 TIP3 8954 -0.290 -12.994 19.843 1.00 0.00 WT1 H ATOM 26019 H2 TIP3 8954 -13.713 14.521 6.354 1.00 0.00 WT1 H ATOM 26020 OH2 TIP3 8955 -2.283 -2.771 0.571 1.00 0.00 WT1 O ATOM 26021 H1 TIP3 8955 21.236 12.656 17.596 1.00 0.00 WT1 H ATOM 26022 H2 TIP3 8955 -5.927 -0.303 -13.016 1.00 0.00 WT1 H ATOM 26023 OH2 TIP3 8956 0.013 -6.651 2.112 1.00 0.00 WT1 O ATOM 26024 H1 TIP3 8956 -13.433 10.692 -8.553 1.00 0.00 WT1 H ATOM 26025 H2 TIP3 8956 8.903 -14.135 -7.259 1.00 0.00 WT1 H ATOM 26026 OH2 TIP3 8957 -6.792 1.194 -2.413 1.00 0.00 WT1 O ATOM 26027 H1 TIP3 8957 1.616 5.100 -2.926 1.00 0.00 WT1 H ATOM 26028 H2 TIP3 8957 -3.812 -7.839 0.361 1.00 0.00 WT1 H ATOM 26029 OH2 TIP3 8958 2.932 5.601 -4.860 1.00 0.00 WT1 O ATOM 26030 H1 TIP3 8958 16.572 12.617 15.796 1.00 0.00 WT1 H ATOM 26031 H2 TIP3 8958 -28.841 3.851 -25.313 1.00 0.00 WT1 H ATOM 26032 OH2 TIP3 8959 2.668 3.249 -1.802 1.00 0.00 WT1 O ATOM 26033 H1 TIP3 8959 -9.515 -13.325 -6.740 1.00 0.00 WT1 H ATOM 26034 H2 TIP3 8959 -1.401 15.872 7.588 1.00 0.00 WT1 H ATOM 26035 OH2 TIP3 8960 -1.054 6.444 -1.417 1.00 0.00 WT1 O ATOM 26036 H1 TIP3 8960 -5.054 7.492 -5.828 1.00 0.00 WT1 H ATOM 26037 H2 TIP3 8960 1.736 -3.349 -0.168 1.00 0.00 WT1 H ATOM 26038 OH2 TIP3 8961 0.434 -1.235 1.034 1.00 0.00 WT1 O ATOM 26039 H1 TIP3 8961 10.322 -15.593 -9.254 1.00 0.00 WT1 H ATOM 26040 H2 TIP3 8961 -3.497 3.002 4.130 1.00 0.00 WT1 H ATOM 26041 OH2 TIP3 8962 3.062 -2.014 -3.619 1.00 0.00 WT1 O ATOM 26042 H1 TIP3 8962 -19.025 -19.672 12.071 1.00 0.00 WT1 H ATOM 26043 H2 TIP3 8962 19.992 15.587 -10.176 1.00 0.00 WT1 H ATOM 26044 OH2 TIP3 8963 -0.573 -0.116 -4.471 1.00 0.00 WT1 O ATOM 26045 H1 TIP3 8963 3.112 1.163 -7.925 1.00 0.00 WT1 H ATOM 26046 H2 TIP3 8963 -19.001 -1.976 3.885 1.00 0.00 WT1 H ATOM 26047 OH2 TIP3 8964 -4.027 2.085 0.665 1.00 0.00 WT1 O ATOM 26048 H1 TIP3 8964 -6.149 13.282 -3.787 1.00 0.00 WT1 H ATOM 26049 H2 TIP3 8964 -16.273 -7.327 -6.272 1.00 0.00 WT1 H ATOM 26050 OH2 TIP3 8965 -0.267 -3.650 -0.757 1.00 0.00 WT1 O ATOM 26051 H1 TIP3 8965 24.392 11.244 8.423 1.00 0.00 WT1 H ATOM 26052 H2 TIP3 8965 32.278 10.153 -0.981 1.00 0.00 WT1 H ATOM 26053 OH2 TIP3 8966 6.189 1.910 2.918 1.00 0.00 WT1 O ATOM 26054 H1 TIP3 8966 5.352 8.382 -7.510 1.00 0.00 WT1 H ATOM 26055 H2 TIP3 8966 25.057 -2.256 6.740 1.00 0.00 WT1 H ATOM 26056 OH2 TIP3 8967 0.348 4.202 -0.912 1.00 0.00 WT1 O ATOM 26057 H1 TIP3 8967 -2.489 2.334 2.571 1.00 0.00 WT1 H ATOM 26058 H2 TIP3 8967 0.609 3.248 7.898 1.00 0.00 WT1 H ATOM 26059 OH2 TIP3 8968 0.927 1.978 1.664 1.00 0.00 WT1 O ATOM 26060 H1 TIP3 8968 3.739 9.274 14.865 1.00 0.00 WT1 H ATOM 26061 H2 TIP3 8968 -10.595 9.100 -5.573 1.00 0.00 WT1 H ATOM 26062 OH2 TIP3 8969 -8.279 -0.276 -1.128 1.00 0.00 WT1 O ATOM 26063 H1 TIP3 8969 -22.495 -4.610 -4.528 1.00 0.00 WT1 H ATOM 26064 H2 TIP3 8969 1.734 -5.356 3.462 1.00 0.00 WT1 H ATOM 26065 OH2 TIP3 8970 -5.493 -0.832 0.561 1.00 0.00 WT1 O ATOM 26066 H1 TIP3 8970 -3.848 -12.380 -0.989 1.00 0.00 WT1 H ATOM 26067 H2 TIP3 8970 1.414 -5.538 -2.694 1.00 0.00 WT1 H ATOM 26068 OH2 TIP3 8971 -7.228 -0.167 -3.427 1.00 0.00 WT1 O ATOM 26069 H1 TIP3 8971 -29.023 -19.936 -14.474 1.00 0.00 WT1 H ATOM 26070 H2 TIP3 8971 -5.705 1.925 -1.620 1.00 0.00 WT1 H ATOM 26071 OH2 TIP3 8972 2.098 2.057 -2.188 1.00 0.00 WT1 O ATOM 26072 H1 TIP3 8972 0.171 19.940 4.683 1.00 0.00 WT1 H ATOM 26073 H2 TIP3 8972 -1.255 -2.894 -10.613 1.00 0.00 WT1 H ATOM 26074 OH2 TIP3 8973 -2.202 4.674 -4.586 1.00 0.00 WT1 O ATOM 26075 H1 TIP3 8973 3.182 3.774 -1.504 1.00 0.00 WT1 H ATOM 26076 H2 TIP3 8973 0.488 -13.684 -3.016 1.00 0.00 WT1 H ATOM 26077 OH2 TIP3 8974 0.267 2.230 -2.517 1.00 0.00 WT1 O ATOM 26078 H1 TIP3 8974 4.917 13.330 -11.673 1.00 0.00 WT1 H ATOM 26079 H2 TIP3 8974 -6.143 -0.445 6.932 1.00 0.00 WT1 H ATOM 26080 OH2 TIP3 8975 3.133 -5.058 6.327 1.00 0.00 WT1 O ATOM 26081 H1 TIP3 8975 -7.428 0.083 -0.290 1.00 0.00 WT1 H ATOM 26082 H2 TIP3 8975 6.546 3.434 -16.619 1.00 0.00 WT1 H ATOM 26083 OH2 TIP3 8976 -2.517 3.418 -0.324 1.00 0.00 WT1 O ATOM 26084 H1 TIP3 8976 -7.938 28.351 1.981 1.00 0.00 WT1 H ATOM 26085 H2 TIP3 8976 12.525 9.787 -14.456 1.00 0.00 WT1 H ATOM 26086 OH2 TIP3 8977 3.658 2.073 -0.608 1.00 0.00 WT1 O ATOM 26087 H1 TIP3 8977 4.963 -6.577 -1.746 1.00 0.00 WT1 H ATOM 26088 H2 TIP3 8977 -9.892 5.037 3.870 1.00 0.00 WT1 H ATOM 26089 OH2 TIP3 8978 -3.537 -2.027 0.190 1.00 0.00 WT1 O ATOM 26090 H1 TIP3 8978 -8.355 13.504 -7.284 1.00 0.00 WT1 H ATOM 26091 H2 TIP3 8978 2.238 2.760 5.830 1.00 0.00 WT1 H ATOM 26092 OH2 TIP3 8979 5.224 5.858 1.952 1.00 0.00 WT1 O ATOM 26093 H1 TIP3 8979 5.964 5.129 -28.632 1.00 0.00 WT1 H ATOM 26094 H2 TIP3 8979 -20.525 -1.528 -3.432 1.00 0.00 WT1 H ATOM 26095 OH2 TIP3 8980 0.250 -1.985 3.508 1.00 0.00 WT1 O ATOM 26096 H1 TIP3 8980 8.347 4.957 -22.206 1.00 0.00 WT1 H ATOM 26097 H2 TIP3 8980 -24.341 11.369 7.618 1.00 0.00 WT1 H ATOM 26098 OH2 TIP3 8981 6.545 -6.224 -0.725 1.00 0.00 WT1 O ATOM 26099 H1 TIP3 8981 -8.570 0.256 1.868 1.00 0.00 WT1 H ATOM 26100 H2 TIP3 8981 -5.849 1.077 -3.847 1.00 0.00 WT1 H ATOM 26101 OH2 TIP3 8982 -8.988 0.338 1.288 1.00 0.00 WT1 O ATOM 26102 H1 TIP3 8982 -12.697 -3.484 -2.572 1.00 0.00 WT1 H ATOM 26103 H2 TIP3 8982 -5.228 8.455 10.887 1.00 0.00 WT1 H ATOM 26104 OH2 TIP3 8983 1.146 0.013 1.320 1.00 0.00 WT1 O ATOM 26105 H1 TIP3 8983 13.738 -4.774 15.450 1.00 0.00 WT1 H ATOM 26106 H2 TIP3 8983 -2.515 3.937 -4.516 1.00 0.00 WT1 H ATOM 26107 OH2 TIP3 8984 4.692 -2.103 -5.664 1.00 0.00 WT1 O ATOM 26108 H1 TIP3 8984 -2.744 -4.908 -3.310 1.00 0.00 WT1 H ATOM 26109 H2 TIP3 8984 -0.676 0.842 -11.357 1.00 0.00 WT1 H ATOM 26110 OH2 TIP3 8985 -0.835 3.192 4.785 1.00 0.00 WT1 O ATOM 26111 H1 TIP3 8985 -3.406 13.170 5.070 1.00 0.00 WT1 H ATOM 26112 H2 TIP3 8985 7.461 6.996 -5.854 1.00 0.00 WT1 H ATOM 26113 OH2 TIP3 8986 2.592 -9.018 6.865 1.00 0.00 WT1 O ATOM 26114 H1 TIP3 8986 10.722 -10.728 -4.085 1.00 0.00 WT1 H ATOM 26115 H2 TIP3 8986 4.716 -23.281 2.813 1.00 0.00 WT1 H ATOM 26116 OH2 TIP3 8987 6.814 2.265 0.409 1.00 0.00 WT1 O ATOM 26117 H1 TIP3 8987 -8.220 8.113 8.264 1.00 0.00 WT1 H ATOM 26118 H2 TIP3 8987 35.816 5.394 6.169 1.00 0.00 WT1 H ATOM 26119 OH2 TIP3 8988 1.831 2.882 -1.723 1.00 0.00 WT1 O ATOM 26120 H1 TIP3 8988 4.968 8.525 -8.293 1.00 0.00 WT1 H ATOM 26121 H2 TIP3 8988 -3.276 -7.297 -7.952 1.00 0.00 WT1 H ATOM 26122 OH2 TIP3 8989 -5.572 3.354 -5.034 1.00 0.00 WT1 O ATOM 26123 H1 TIP3 8989 1.318 4.593 -22.079 1.00 0.00 WT1 H ATOM 26124 H2 TIP3 8989 24.057 25.674 4.810 1.00 0.00 WT1 H ATOM 26125 OH2 TIP3 8990 1.153 1.493 1.031 1.00 0.00 WT1 O ATOM 26126 H1 TIP3 8990 11.653 -3.011 29.149 1.00 0.00 WT1 H ATOM 26127 H2 TIP3 8990 -6.970 -28.702 -16.799 1.00 0.00 WT1 H ATOM 26128 OH2 TIP3 8991 -1.100 -2.065 -3.198 1.00 0.00 WT1 O ATOM 26129 H1 TIP3 8991 4.852 7.613 1.519 1.00 0.00 WT1 H ATOM 26130 H2 TIP3 8991 1.462 6.001 -3.909 1.00 0.00 WT1 H ATOM 26131 OH2 TIP3 8992 3.722 -9.117 7.456 1.00 0.00 WT1 O ATOM 26132 H1 TIP3 8992 7.230 -23.984 25.832 1.00 0.00 WT1 H ATOM 26133 H2 TIP3 8992 23.774 -20.253 -17.886 1.00 0.00 WT1 H ATOM 26134 OH2 TIP3 8993 4.578 -0.745 2.807 1.00 0.00 WT1 O ATOM 26135 H1 TIP3 8993 32.938 -1.811 -12.758 1.00 0.00 WT1 H ATOM 26136 H2 TIP3 8993 -11.456 -0.081 12.159 1.00 0.00 WT1 H ATOM 26137 OH2 TIP3 8994 1.165 2.476 -3.181 1.00 0.00 WT1 O ATOM 26138 H1 TIP3 8994 1.838 -0.710 5.550 1.00 0.00 WT1 H ATOM 26139 H2 TIP3 8994 1.412 11.497 -13.394 1.00 0.00 WT1 H ATOM 26140 OH2 TIP3 8995 0.502 0.558 6.221 1.00 0.00 WT1 O ATOM 26141 H1 TIP3 8995 -1.503 0.759 1.965 1.00 0.00 WT1 H ATOM 26142 H2 TIP3 8995 1.376 1.096 8.035 1.00 0.00 WT1 H ATOM 26143 OH2 TIP3 8996 -3.862 -3.795 -0.056 1.00 0.00 WT1 O ATOM 26144 H1 TIP3 8996 -27.137 5.424 5.513 1.00 0.00 WT1 H ATOM 26145 H2 TIP3 8996 14.910 6.546 17.748 1.00 0.00 WT1 H ATOM 26146 OH2 TIP3 8997 0.899 -2.272 4.403 1.00 0.00 WT1 O ATOM 26147 H1 TIP3 8997 -7.414 9.238 2.269 1.00 0.00 WT1 H ATOM 26148 H2 TIP3 8997 38.007 3.433 11.891 1.00 0.00 WT1 H ATOM 26149 OH2 TIP3 8998 0.033 2.732 1.359 1.00 0.00 WT1 O ATOM 26150 H1 TIP3 8998 -3.845 -1.817 2.727 1.00 0.00 WT1 H ATOM 26151 H2 TIP3 8998 2.914 2.071 -2.466 1.00 0.00 WT1 H ATOM 26152 OH2 TIP3 8999 0.387 1.860 -13.147 1.00 0.00 WT1 O ATOM 26153 H1 TIP3 8999 0.717 5.163 -11.233 1.00 0.00 WT1 H ATOM 26154 H2 TIP3 8999 -3.331 -0.746 -23.535 1.00 0.00 WT1 H ATOM 26155 OH2 TIP3 9000 -4.022 4.174 0.718 1.00 0.00 WT1 O ATOM 26156 H1 TIP3 9000 0.975 -10.069 0.421 1.00 0.00 WT1 H ATOM 26157 H2 TIP3 9000 9.147 13.177 -23.424 1.00 0.00 WT1 H ATOM 26158 OH2 TIP3 9001 -3.157 -1.635 -8.465 1.00 0.00 WT1 O ATOM 26159 H1 TIP3 9001 -10.172 7.756 -9.935 1.00 0.00 WT1 H ATOM 26160 H2 TIP3 9001 4.712 4.787 -13.815 1.00 0.00 WT1 H ATOM 26161 OH2 TIP3 9002 -8.845 -1.821 -0.913 1.00 0.00 WT1 O ATOM 26162 H1 TIP3 9002 9.223 -12.258 -12.289 1.00 0.00 WT1 H ATOM 26163 H2 TIP3 9002 11.397 4.073 -4.536 1.00 0.00 WT1 H ATOM 26164 OH2 TIP3 9003 -8.072 0.677 2.186 1.00 0.00 WT1 O ATOM 26165 H1 TIP3 9003 18.833 -9.593 -9.087 1.00 0.00 WT1 H ATOM 26166 H2 TIP3 9003 9.113 24.093 1.666 1.00 0.00 WT1 H ATOM 26167 OH2 TIP3 9004 -1.144 -5.112 7.898 1.00 0.00 WT1 O ATOM 26168 H1 TIP3 9004 -20.702 -4.618 14.029 1.00 0.00 WT1 H ATOM 26169 H2 TIP3 9004 3.595 5.804 -16.916 1.00 0.00 WT1 H ATOM 26170 OH2 TIP3 9005 3.841 -2.350 -0.891 1.00 0.00 WT1 O ATOM 26171 H1 TIP3 9005 2.459 -1.992 2.264 1.00 0.00 WT1 H ATOM 26172 H2 TIP3 9005 5.641 -10.039 -2.442 1.00 0.00 WT1 H ATOM 26173 OH2 TIP3 9006 0.076 3.227 3.152 1.00 0.00 WT1 O ATOM 26174 H1 TIP3 9006 -6.061 -7.537 -12.224 1.00 0.00 WT1 H ATOM 26175 H2 TIP3 9006 1.602 14.559 -6.574 1.00 0.00 WT1 H ATOM 26176 OH2 TIP3 9007 2.619 -3.508 -1.296 1.00 0.00 WT1 O ATOM 26177 H1 TIP3 9007 -0.711 8.867 -1.444 1.00 0.00 WT1 H ATOM 26178 H2 TIP3 9007 -7.858 -35.357 -0.273 1.00 0.00 WT1 H ATOM 26179 OH2 TIP3 9008 0.122 -2.787 -8.816 1.00 0.00 WT1 O ATOM 26180 H1 TIP3 9008 -13.792 -7.528 -13.516 1.00 0.00 WT1 H ATOM 26181 H2 TIP3 9008 9.449 -2.122 -6.428 1.00 0.00 WT1 H ATOM 26182 OH2 TIP3 9009 2.844 3.753 -4.285 1.00 0.00 WT1 O ATOM 26183 H1 TIP3 9009 12.210 13.149 6.070 1.00 0.00 WT1 H ATOM 26184 H2 TIP3 9009 9.899 -6.937 -2.886 1.00 0.00 WT1 H ATOM 26185 OH2 TIP3 9010 3.633 1.510 0.731 1.00 0.00 WT1 O ATOM 26186 H1 TIP3 9010 -1.577 19.472 -3.088 1.00 0.00 WT1 H ATOM 26187 H2 TIP3 9010 3.865 5.898 11.437 1.00 0.00 WT1 H ATOM 26188 OH2 TIP3 9011 -3.691 2.839 0.428 1.00 0.00 WT1 O ATOM 26189 H1 TIP3 9011 9.377 -5.278 -3.057 1.00 0.00 WT1 H ATOM 26190 H2 TIP3 9011 29.784 -12.377 -12.498 1.00 0.00 WT1 H ATOM 26191 OH2 TIP3 9012 -0.666 7.323 2.045 1.00 0.00 WT1 O ATOM 26192 H1 TIP3 9012 0.573 11.206 -6.411 1.00 0.00 WT1 H ATOM 26193 H2 TIP3 9012 12.772 -20.554 12.843 1.00 0.00 WT1 H ATOM 26194 OH2 TIP3 9013 -0.894 -5.272 -0.244 1.00 0.00 WT1 O ATOM 26195 H1 TIP3 9013 -16.809 -6.245 -0.298 1.00 0.00 WT1 H ATOM 26196 H2 TIP3 9013 -1.126 -13.546 -11.262 1.00 0.00 WT1 H ATOM 26197 OH2 TIP3 9014 5.480 5.474 2.137 1.00 0.00 WT1 O ATOM 26198 H1 TIP3 9014 20.469 11.601 15.415 1.00 0.00 WT1 H ATOM 26199 H2 TIP3 9014 9.779 -14.766 -12.029 1.00 0.00 WT1 H ATOM 26200 OH2 TIP3 9015 0.366 3.398 -1.744 1.00 0.00 WT1 O ATOM 26201 H1 TIP3 9015 -6.106 2.212 4.686 1.00 0.00 WT1 H ATOM 26202 H2 TIP3 9015 -2.532 -0.261 -0.416 1.00 0.00 WT1 H ATOM 26203 OH2 TIP3 9016 0.976 -0.758 -5.310 1.00 0.00 WT1 O ATOM 26204 H1 TIP3 9016 -31.123 -10.485 16.348 1.00 0.00 WT1 H ATOM 26205 H2 TIP3 9016 -2.958 -16.176 2.071 1.00 0.00 WT1 H ATOM 26206 OH2 TIP3 9017 -6.921 3.160 12.198 1.00 0.00 WT1 O ATOM 26207 H1 TIP3 9017 -17.358 6.834 3.481 1.00 0.00 WT1 H ATOM 26208 H2 TIP3 9017 -3.102 -0.812 0.903 1.00 0.00 WT1 H ATOM 26209 OH2 TIP3 9018 2.349 6.371 -5.957 1.00 0.00 WT1 O ATOM 26210 H1 TIP3 9018 -1.131 -4.909 -2.613 1.00 0.00 WT1 H ATOM 26211 H2 TIP3 9018 5.810 20.047 -8.939 1.00 0.00 WT1 H ATOM 26212 OH2 TIP3 9019 1.462 -3.311 -6.903 1.00 0.00 WT1 O ATOM 26213 H1 TIP3 9019 -2.734 -7.033 -12.273 1.00 0.00 WT1 H ATOM 26214 H2 TIP3 9019 6.007 2.190 -11.285 1.00 0.00 WT1 H ATOM 26215 OH2 TIP3 9020 -0.616 0.139 -0.172 1.00 0.00 WT1 O ATOM 26216 H1 TIP3 9020 10.729 -9.030 20.968 1.00 0.00 WT1 H ATOM 26217 H2 TIP3 9020 -9.701 -7.173 7.281 1.00 0.00 WT1 H ATOM 26218 OH2 TIP3 9021 -4.438 5.203 -3.474 1.00 0.00 WT1 O ATOM 26219 H1 TIP3 9021 -10.813 -8.599 -0.890 1.00 0.00 WT1 H ATOM 26220 H2 TIP3 9021 -18.107 3.906 17.871 1.00 0.00 WT1 H ATOM 26221 OH2 TIP3 9022 -2.686 -2.156 -2.823 1.00 0.00 WT1 O ATOM 26222 H1 TIP3 9022 -7.402 -4.694 -3.368 1.00 0.00 WT1 H ATOM 26223 H2 TIP3 9022 29.593 -3.518 -5.023 1.00 0.00 WT1 H ATOM 26224 OH2 TIP3 9023 -2.101 1.859 -5.481 1.00 0.00 WT1 O ATOM 26225 H1 TIP3 9023 -3.667 7.473 -4.711 1.00 0.00 WT1 H ATOM 26226 H2 TIP3 9023 11.485 1.111 -10.289 1.00 0.00 WT1 H ATOM 26227 OH2 TIP3 9024 2.121 0.178 5.913 1.00 0.00 WT1 O ATOM 26228 H1 TIP3 9024 1.537 -10.266 5.902 1.00 0.00 WT1 H ATOM 26229 H2 TIP3 9024 8.766 9.898 16.041 1.00 0.00 WT1 H ATOM 26230 OH2 TIP3 9025 -6.931 3.116 3.714 1.00 0.00 WT1 O ATOM 26231 H1 TIP3 9025 -34.347 23.899 13.837 1.00 0.00 WT1 H ATOM 26232 H2 TIP3 9025 21.347 -2.934 -9.934 1.00 0.00 WT1 H ATOM 26233 OH2 TIP3 9026 -7.048 -4.893 -3.105 1.00 0.00 WT1 O ATOM 26234 H1 TIP3 9026 -1.003 9.120 -5.549 1.00 0.00 WT1 H ATOM 26235 H2 TIP3 9026 -9.342 -0.590 -5.607 1.00 0.00 WT1 H ATOM 26236 OH2 TIP3 9027 1.339 0.942 2.499 1.00 0.00 WT1 O ATOM 26237 H1 TIP3 9027 -12.803 -22.375 9.365 1.00 0.00 WT1 H ATOM 26238 H2 TIP3 9027 -11.078 -10.525 10.497 1.00 0.00 WT1 H ATOM 26239 OH2 TIP3 9028 -7.563 3.374 -0.914 1.00 0.00 WT1 O ATOM 26240 H1 TIP3 9028 -9.701 3.791 3.210 1.00 0.00 WT1 H ATOM 26241 H2 TIP3 9028 -13.635 -3.363 -2.510 1.00 0.00 WT1 H ATOM 26242 OH2 TIP3 9029 -0.692 -0.421 6.197 1.00 0.00 WT1 O ATOM 26243 H1 TIP3 9029 -14.323 -1.845 2.721 1.00 0.00 WT1 H ATOM 26244 H2 TIP3 9029 -11.122 0.363 4.148 1.00 0.00 WT1 H ATOM 26245 OH2 TIP3 9030 7.123 -6.524 -2.612 1.00 0.00 WT1 O ATOM 26246 H1 TIP3 9030 -5.683 12.513 -7.222 1.00 0.00 WT1 H ATOM 26247 H2 TIP3 9030 5.914 -11.839 4.558 1.00 0.00 WT1 H ATOM 26248 OH2 TIP3 9032 4.007 1.985 3.765 1.00 0.00 WT1 O ATOM 26249 H1 TIP3 9032 14.165 -10.747 6.220 1.00 0.00 WT1 H ATOM 26250 H2 TIP3 9032 33.551 -33.003 14.459 1.00 0.00 WT1 H ATOM 26251 OH2 TIP3 9033 -5.193 3.875 4.417 1.00 0.00 WT1 O ATOM 26252 H1 TIP3 9033 2.166 -10.353 7.472 1.00 0.00 WT1 H ATOM 26253 H2 TIP3 9033 -9.239 2.203 -2.927 1.00 0.00 WT1 H ATOM 26254 OH2 TIP3 9034 1.073 0.534 -5.965 1.00 0.00 WT1 O ATOM 26255 H1 TIP3 9034 5.962 22.961 4.922 1.00 0.00 WT1 H ATOM 26256 H2 TIP3 9034 3.923 17.451 -9.912 1.00 0.00 WT1 H ATOM 26257 OH2 TIP3 9035 -3.043 1.429 4.026 1.00 0.00 WT1 O ATOM 26258 H1 TIP3 9035 -38.353 -12.656 7.671 1.00 0.00 WT1 H ATOM 26259 H2 TIP3 9035 -11.046 -2.838 -19.599 1.00 0.00 WT1 H ATOM 26260 OH2 TIP3 9036 3.178 1.549 0.764 1.00 0.00 WT1 O ATOM 26261 H1 TIP3 9036 -2.580 -7.622 -14.537 1.00 0.00 WT1 H ATOM 26262 H2 TIP3 9036 7.727 17.598 -7.155 1.00 0.00 WT1 H ATOM 26263 OH2 TIP3 9037 1.464 -1.585 5.961 1.00 0.00 WT1 O ATOM 26264 H1 TIP3 9037 13.102 22.304 1.696 1.00 0.00 WT1 H ATOM 26265 H2 TIP3 9037 15.269 -0.282 3.450 1.00 0.00 WT1 H ATOM 26266 OH2 TIP3 9038 2.329 -1.821 -1.857 1.00 0.00 WT1 O ATOM 26267 H1 TIP3 9038 -0.236 -0.327 9.090 1.00 0.00 WT1 H ATOM 26268 H2 TIP3 9038 7.600 -1.695 -5.494 1.00 0.00 WT1 H ATOM 26269 OH2 TIP3 9039 -7.443 -1.948 3.578 1.00 0.00 WT1 O ATOM 26270 H1 TIP3 9039 8.729 1.683 9.513 1.00 0.00 WT1 H ATOM 26271 H2 TIP3 9039 -5.715 -5.613 -8.398 1.00 0.00 WT1 H ATOM 26272 OH2 TIP3 9040 -2.676 -0.882 -0.356 1.00 0.00 WT1 O ATOM 26273 H1 TIP3 9040 -7.084 14.161 -1.786 1.00 0.00 WT1 H ATOM 26274 H2 TIP3 9040 -18.823 -17.019 -8.704 1.00 0.00 WT1 H ATOM 26275 OH2 TIP3 9041 -0.487 -0.925 -0.957 1.00 0.00 WT1 O ATOM 26276 H1 TIP3 9041 0.773 4.369 -7.299 1.00 0.00 WT1 H ATOM 26277 H2 TIP3 9041 2.979 5.742 0.063 1.00 0.00 WT1 H ATOM 26278 OH2 TIP3 9042 -0.744 0.855 1.766 1.00 0.00 WT1 O ATOM 26279 H1 TIP3 9042 2.216 -10.468 10.018 1.00 0.00 WT1 H ATOM 26280 H2 TIP3 9042 0.393 -10.633 5.208 1.00 0.00 WT1 H ATOM 26281 OH2 TIP3 9043 6.618 -7.074 6.631 1.00 0.00 WT1 O ATOM 26282 H1 TIP3 9043 7.579 -7.262 -0.873 1.00 0.00 WT1 H ATOM 26283 H2 TIP3 9043 -21.961 7.935 -5.533 1.00 0.00 WT1 H ATOM 26284 OH2 TIP3 9044 -5.148 0.893 -2.136 1.00 0.00 WT1 O ATOM 26285 H1 TIP3 9044 5.324 -9.725 -5.228 1.00 0.00 WT1 H ATOM 26286 H2 TIP3 9044 -0.920 1.381 11.816 1.00 0.00 WT1 H ATOM 26287 OH2 TIP3 9045 1.273 -1.249 2.167 1.00 0.00 WT1 O ATOM 26288 H1 TIP3 9045 -3.947 -2.341 -6.307 1.00 0.00 WT1 H ATOM 26289 H2 TIP3 9045 -2.204 8.967 -6.802 1.00 0.00 WT1 H ATOM 26290 OH2 TIP3 9046 -3.982 1.627 -2.709 1.00 0.00 WT1 O ATOM 26291 H1 TIP3 9046 -15.601 -0.346 9.096 1.00 0.00 WT1 H ATOM 26292 H2 TIP3 9046 0.997 -13.595 -8.396 1.00 0.00 WT1 H ATOM 26293 OH2 TIP3 9047 0.803 0.650 -7.198 1.00 0.00 WT1 O ATOM 26294 H1 TIP3 9047 -7.855 20.287 -12.491 1.00 0.00 WT1 H ATOM 26295 H2 TIP3 9047 13.471 13.233 15.819 1.00 0.00 WT1 H ATOM 26296 OH2 TIP3 9048 -3.832 3.236 2.507 1.00 0.00 WT1 O ATOM 26297 H1 TIP3 9048 4.530 6.411 -5.233 1.00 0.00 WT1 H ATOM 26298 H2 TIP3 9048 12.897 -17.480 -9.319 1.00 0.00 WT1 H ATOM 26299 OH2 TIP3 9049 1.535 -0.714 4.431 1.00 0.00 WT1 O ATOM 26300 H1 TIP3 9049 4.288 -10.396 11.334 1.00 0.00 WT1 H ATOM 26301 H2 TIP3 9049 9.031 0.681 0.436 1.00 0.00 WT1 H ATOM 26302 OH2 TIP3 9050 8.481 -2.612 6.810 1.00 0.00 WT1 O ATOM 26303 H1 TIP3 9050 3.243 -17.348 -8.537 1.00 0.00 WT1 H ATOM 26304 H2 TIP3 9050 -5.948 0.292 15.262 1.00 0.00 WT1 H ATOM 26305 OH2 TIP3 9051 -7.764 -1.116 1.147 1.00 0.00 WT1 O ATOM 26306 H1 TIP3 9051 -13.196 -2.183 14.394 1.00 0.00 WT1 H ATOM 26307 H2 TIP3 9051 -2.679 -13.656 -0.214 1.00 0.00 WT1 H ATOM 26308 OH2 TIP3 9052 2.453 0.874 1.468 1.00 0.00 WT1 O ATOM 26309 H1 TIP3 9052 -3.036 9.709 -3.695 1.00 0.00 WT1 H ATOM 26310 H2 TIP3 9052 7.647 -10.969 7.883 1.00 0.00 WT1 H ATOM 26311 OH2 TIP3 9053 -2.186 -1.257 0.578 1.00 0.00 WT1 O ATOM 26312 H1 TIP3 9053 -1.179 -0.484 -2.314 1.00 0.00 WT1 H ATOM 26313 H2 TIP3 9053 1.353 -1.264 1.376 1.00 0.00 WT1 H ATOM 26314 OH2 TIP3 9054 4.326 -1.244 -0.029 1.00 0.00 WT1 O ATOM 26315 H1 TIP3 9054 0.705 -6.186 21.752 1.00 0.00 WT1 H ATOM 26316 H2 TIP3 9054 4.352 0.411 -7.624 1.00 0.00 WT1 H ATOM 26317 OH2 TIP3 9055 -1.166 1.641 -10.993 1.00 0.00 WT1 O ATOM 26318 H1 TIP3 9055 -19.482 7.882 -11.796 1.00 0.00 WT1 H ATOM 26319 H2 TIP3 9055 -12.992 -7.671 -30.171 1.00 0.00 WT1 H ATOM 26320 OH2 TIP3 9056 6.765 1.205 -0.425 1.00 0.00 WT1 O ATOM 26321 H1 TIP3 9056 -15.774 -4.273 -6.642 1.00 0.00 WT1 H ATOM 26322 H2 TIP3 9056 9.743 1.136 -8.472 1.00 0.00 WT1 H ATOM 26323 OH2 TIP3 9057 -5.448 -9.208 -6.765 1.00 0.00 WT1 O ATOM 26324 H1 TIP3 9057 -11.630 7.535 -10.816 1.00 0.00 WT1 H ATOM 26325 H2 TIP3 9057 -21.973 -0.769 -7.397 1.00 0.00 WT1 H ATOM 26326 OH2 TIP3 9058 5.085 -2.964 4.849 1.00 0.00 WT1 O ATOM 26327 H1 TIP3 9058 -11.280 -30.736 -5.574 1.00 0.00 WT1 H ATOM 26328 H2 TIP3 9058 -9.646 -16.321 0.863 1.00 0.00 WT1 H ATOM 26329 OH2 TIP3 9059 1.589 0.869 -5.541 1.00 0.00 WT1 O ATOM 26330 H1 TIP3 9059 -13.028 2.531 -3.877 1.00 0.00 WT1 H ATOM 26331 H2 TIP3 9059 1.165 18.629 14.929 1.00 0.00 WT1 H ATOM 26332 OH2 TIP3 9060 3.108 7.946 0.771 1.00 0.00 WT1 O ATOM 26333 H1 TIP3 9060 4.831 -4.046 -16.685 1.00 0.00 WT1 H ATOM 26334 H2 TIP3 9060 14.323 16.871 7.494 1.00 0.00 WT1 H ATOM 26335 OH2 TIP3 9061 2.288 -4.145 -5.910 1.00 0.00 WT1 O ATOM 26336 H1 TIP3 9061 -2.244 10.081 2.490 1.00 0.00 WT1 H ATOM 26337 H2 TIP3 9061 -12.743 -12.607 -5.452 1.00 0.00 WT1 H ATOM 26338 OH2 TIP3 9062 1.920 2.013 1.624 1.00 0.00 WT1 O ATOM 26339 H1 TIP3 9062 2.979 -12.142 15.334 1.00 0.00 WT1 H ATOM 26340 H2 TIP3 9062 6.831 -13.464 -8.706 1.00 0.00 WT1 H ATOM 26341 OH2 TIP3 9063 -3.989 -0.069 -3.093 1.00 0.00 WT1 O ATOM 26342 H1 TIP3 9063 -4.458 -10.292 5.837 1.00 0.00 WT1 H ATOM 26343 H2 TIP3 9063 13.995 -0.960 -16.404 1.00 0.00 WT1 H ATOM 26344 OH2 TIP3 9066 3.634 1.681 1.511 1.00 0.00 WT1 O ATOM 26345 H1 TIP3 9066 -1.824 7.270 4.049 1.00 0.00 WT1 H ATOM 26346 H2 TIP3 9066 14.270 -5.784 -16.014 1.00 0.00 WT1 H ATOM 26347 OH2 TIP3 9067 -4.064 0.868 -0.345 1.00 0.00 WT1 O ATOM 26348 H1 TIP3 9067 -6.827 -6.391 11.670 1.00 0.00 WT1 H ATOM 26349 H2 TIP3 9067 -1.367 10.623 -8.200 1.00 0.00 WT1 H ATOM 26350 OH2 TIP3 9070 -3.469 -0.045 5.483 1.00 0.00 WT1 O ATOM 26351 H1 TIP3 9070 -7.306 -4.103 -5.384 1.00 0.00 WT1 H ATOM 26352 H2 TIP3 9070 3.208 15.909 1.127 1.00 0.00 WT1 H ATOM 26353 OH2 TIP3 9071 6.632 6.957 1.466 1.00 0.00 WT1 O ATOM 26354 H1 TIP3 9071 8.414 -6.849 19.415 1.00 0.00 WT1 H ATOM 26355 H2 TIP3 9071 5.973 3.071 20.444 1.00 0.00 WT1 H ATOM 26356 OH2 TIP3 9072 -4.482 2.709 -3.080 1.00 0.00 WT1 O ATOM 26357 H1 TIP3 9072 0.072 17.961 -9.919 1.00 0.00 WT1 H ATOM 26358 H2 TIP3 9072 1.088 0.249 -11.800 1.00 0.00 WT1 H ATOM 26359 OH2 TIP3 9073 -3.236 2.948 -9.789 1.00 0.00 WT1 O ATOM 26360 H1 TIP3 9073 -0.080 -13.307 3.908 1.00 0.00 WT1 H ATOM 26361 H2 TIP3 9073 14.992 8.391 -10.944 1.00 0.00 WT1 H ATOM 26362 OH2 TIP3 9074 3.022 3.056 -5.060 1.00 0.00 WT1 O ATOM 26363 H1 TIP3 9074 -5.637 2.234 -5.648 1.00 0.00 WT1 H ATOM 26364 H2 TIP3 9074 8.715 -7.741 7.424 1.00 0.00 WT1 H ATOM 26365 OH2 TIP3 9075 6.135 -0.984 -1.143 1.00 0.00 WT1 O ATOM 26366 H1 TIP3 9075 10.751 -3.762 -8.055 1.00 0.00 WT1 H ATOM 26367 H2 TIP3 9075 12.109 -3.538 -7.512 1.00 0.00 WT1 H ATOM 26368 OH2 TIP3 9076 1.274 -7.408 1.929 1.00 0.00 WT1 O ATOM 26369 H1 TIP3 9076 -0.907 -16.818 -3.096 1.00 0.00 WT1 H ATOM 26370 H2 TIP3 9076 -2.210 -22.692 -6.321 1.00 0.00 WT1 H ATOM 26371 OH2 TIP3 9078 2.162 -0.937 3.254 1.00 0.00 WT1 O ATOM 26372 H1 TIP3 9078 -11.198 -6.598 22.627 1.00 0.00 WT1 H ATOM 26373 H2 TIP3 9078 6.951 -9.491 -1.167 1.00 0.00 WT1 H ATOM 26374 OH2 TIP3 9079 -0.606 2.545 -1.507 1.00 0.00 WT1 O ATOM 26375 H1 TIP3 9079 3.517 6.377 9.951 1.00 0.00 WT1 H ATOM 26376 H2 TIP3 9079 2.057 13.920 2.273 1.00 0.00 WT1 H ATOM 26377 OH2 TIP3 9080 -0.222 1.609 -1.425 1.00 0.00 WT1 O ATOM 26378 H1 TIP3 9080 10.891 23.056 -11.706 1.00 0.00 WT1 H ATOM 26379 H2 TIP3 9080 17.479 -16.629 -2.272 1.00 0.00 WT1 H ATOM 26380 OH2 TIP3 9081 1.225 0.036 -5.955 1.00 0.00 WT1 O ATOM 26381 H1 TIP3 9081 -21.540 -1.820 -14.824 1.00 0.00 WT1 H ATOM 26382 H2 TIP3 9081 -5.530 3.428 4.038 1.00 0.00 WT1 H ATOM 26383 OH2 TIP3 9082 0.931 5.259 4.217 1.00 0.00 WT1 O ATOM 26384 H1 TIP3 9082 -0.609 13.322 -1.813 1.00 0.00 WT1 H ATOM 26385 H2 TIP3 9082 4.058 -4.206 26.347 1.00 0.00 WT1 H ATOM 26386 OH2 TIP3 9083 2.827 -3.438 -0.330 1.00 0.00 WT1 O ATOM 26387 H1 TIP3 9083 4.274 5.658 -13.119 1.00 0.00 WT1 H ATOM 26388 H2 TIP3 9083 9.567 4.709 11.285 1.00 0.00 WT1 H ATOM 26389 OH2 TIP3 9084 1.282 2.786 -5.200 1.00 0.00 WT1 O ATOM 26390 H1 TIP3 9084 20.201 -6.308 27.334 1.00 0.00 WT1 H ATOM 26391 H2 TIP3 9084 7.290 -0.465 4.775 1.00 0.00 WT1 H ATOM 26392 OH2 TIP3 9085 -5.229 -3.068 -2.431 1.00 0.00 WT1 O ATOM 26393 H1 TIP3 9085 -3.459 1.775 -1.376 1.00 0.00 WT1 H ATOM 26394 H2 TIP3 9085 1.994 -8.589 -6.830 1.00 0.00 WT1 H ATOM 26395 OH2 TIP3 9086 1.766 6.371 7.771 1.00 0.00 WT1 O ATOM 26396 H1 TIP3 9086 -8.806 -6.964 -1.618 1.00 0.00 WT1 H ATOM 26397 H2 TIP3 9086 17.509 0.161 -7.231 1.00 0.00 WT1 H ATOM 26398 OH2 TIP3 9087 6.100 0.144 2.292 1.00 0.00 WT1 O ATOM 26399 H1 TIP3 9087 8.913 -0.586 2.201 1.00 0.00 WT1 H ATOM 26400 H2 TIP3 9087 -9.317 7.901 3.031 1.00 0.00 WT1 H ATOM 26401 OH2 TIP3 9088 -3.768 5.087 -6.392 1.00 0.00 WT1 O ATOM 26402 H1 TIP3 9088 -13.609 -14.751 -2.379 1.00 0.00 WT1 H ATOM 26403 H2 TIP3 9088 -8.473 16.308 -0.492 1.00 0.00 WT1 H ATOM 26404 OH2 TIP3 9089 0.291 -0.046 3.886 1.00 0.00 WT1 O ATOM 26405 H1 TIP3 9089 21.783 -26.451 -23.519 1.00 0.00 WT1 H ATOM 26406 H2 TIP3 9089 -2.553 -2.094 2.166 1.00 0.00 WT1 H ATOM 26407 OH2 TIP3 9090 -0.250 -0.729 3.567 1.00 0.00 WT1 O ATOM 26408 H1 TIP3 9090 -2.885 -29.822 24.348 1.00 0.00 WT1 H ATOM 26409 H2 TIP3 9090 11.100 18.958 20.873 1.00 0.00 WT1 H ATOM 26410 OH2 TIP3 9091 -1.182 5.401 3.085 1.00 0.00 WT1 O ATOM 26411 H1 TIP3 9091 -16.701 -5.698 3.539 1.00 0.00 WT1 H ATOM 26412 H2 TIP3 9091 3.225 7.461 15.316 1.00 0.00 WT1 H ATOM 26413 OH2 TIP3 9092 -0.091 4.010 2.774 1.00 0.00 WT1 O ATOM 26414 H1 TIP3 9092 -9.807 -5.492 -4.122 1.00 0.00 WT1 H ATOM 26415 H2 TIP3 9092 5.305 4.877 5.847 1.00 0.00 WT1 H ATOM 26416 OH2 TIP3 9093 -4.022 0.639 3.488 1.00 0.00 WT1 O ATOM 26417 H1 TIP3 9093 3.275 7.484 12.647 1.00 0.00 WT1 H ATOM 26418 H2 TIP3 9093 12.704 10.183 27.362 1.00 0.00 WT1 H ATOM 26419 OH2 TIP3 9094 -8.382 5.386 -2.050 1.00 0.00 WT1 O ATOM 26420 H1 TIP3 9094 -3.840 3.975 12.800 1.00 0.00 WT1 H ATOM 26421 H2 TIP3 9094 -8.667 7.474 -3.071 1.00 0.00 WT1 H ATOM 26422 OH2 TIP3 9095 6.044 -1.953 4.148 1.00 0.00 WT1 O ATOM 26423 H1 TIP3 9095 14.957 -6.511 1.984 1.00 0.00 WT1 H ATOM 26424 H2 TIP3 9095 5.649 -4.930 3.788 1.00 0.00 WT1 H ATOM 26425 OH2 TIP3 9096 0.751 7.181 -0.586 1.00 0.00 WT1 O ATOM 26426 H1 TIP3 9096 -1.400 21.731 -12.992 1.00 0.00 WT1 H ATOM 26427 H2 TIP3 9096 0.824 -1.819 -6.132 1.00 0.00 WT1 H ATOM 26428 OH2 TIP3 9097 0.999 -7.379 -1.709 1.00 0.00 WT1 O ATOM 26429 H1 TIP3 9097 -6.385 0.675 19.414 1.00 0.00 WT1 H ATOM 26430 H2 TIP3 9097 -0.690 -4.337 5.092 1.00 0.00 WT1 H ATOM 26431 OH2 TIP3 9098 6.086 -3.494 5.154 1.00 0.00 WT1 O ATOM 26432 H1 TIP3 9098 9.039 -3.845 -13.562 1.00 0.00 WT1 H ATOM 26433 H2 TIP3 9098 -4.229 -2.161 0.472 1.00 0.00 WT1 H ATOM 26434 OH2 TIP3 9099 -0.036 -2.074 -0.480 1.00 0.00 WT1 O ATOM 26435 H1 TIP3 9099 -3.164 -14.430 7.128 1.00 0.00 WT1 H ATOM 26436 H2 TIP3 9099 17.367 -10.188 -18.930 1.00 0.00 WT1 H ATOM 26437 OH2 TIP3 9100 -4.949 -1.914 4.475 1.00 0.00 WT1 O ATOM 26438 H1 TIP3 9100 -7.983 -5.883 5.010 1.00 0.00 WT1 H ATOM 26439 H2 TIP3 9100 0.161 15.014 6.591 1.00 0.00 WT1 H ATOM 26440 OH2 TIP3 9101 1.346 4.484 -3.824 1.00 0.00 WT1 O ATOM 26441 H1 TIP3 9101 -11.971 12.690 21.914 1.00 0.00 WT1 H ATOM 26442 H2 TIP3 9101 24.466 23.398 -8.068 1.00 0.00 WT1 H ATOM 26443 OH2 TIP3 9102 -3.093 -2.041 -0.636 1.00 0.00 WT1 O ATOM 26444 H1 TIP3 9102 5.997 15.150 11.812 1.00 0.00 WT1 H ATOM 26445 H2 TIP3 9102 -11.673 3.099 -19.356 1.00 0.00 WT1 H ATOM 26446 OH2 TIP3 9103 -3.902 -2.977 -0.455 1.00 0.00 WT1 O ATOM 26447 H1 TIP3 9103 -6.707 23.483 -12.340 1.00 0.00 WT1 H ATOM 26448 H2 TIP3 9103 8.176 -7.311 4.382 1.00 0.00 WT1 H ATOM 26449 OH2 TIP3 9104 -4.299 -1.860 -1.196 1.00 0.00 WT1 O ATOM 26450 H1 TIP3 9104 -25.982 -0.742 -18.710 1.00 0.00 WT1 H ATOM 26451 H2 TIP3 9104 -16.100 -3.996 25.220 1.00 0.00 WT1 H ATOM 26452 OH2 TIP3 9105 0.353 0.125 1.283 1.00 0.00 WT1 O ATOM 26453 H1 TIP3 9105 -4.519 -1.785 6.331 1.00 0.00 WT1 H ATOM 26454 H2 TIP3 9105 -5.959 19.740 11.201 1.00 0.00 WT1 H ATOM 26455 OH2 TIP3 9106 0.663 -0.346 4.170 1.00 0.00 WT1 O ATOM 26456 H1 TIP3 9106 3.137 -11.478 7.693 1.00 0.00 WT1 H ATOM 26457 H2 TIP3 9106 -0.614 -5.916 2.314 1.00 0.00 WT1 H ATOM 26458 OH2 TIP3 9107 0.641 -5.612 -6.310 1.00 0.00 WT1 O ATOM 26459 H1 TIP3 9107 -5.248 -14.488 -15.878 1.00 0.00 WT1 H ATOM 26460 H2 TIP3 9107 8.768 2.232 -10.754 1.00 0.00 WT1 H ATOM 26461 OH2 TIP3 9108 0.932 0.734 2.475 1.00 0.00 WT1 O ATOM 26462 H1 TIP3 9108 2.070 -17.967 1.797 1.00 0.00 WT1 H ATOM 26463 H2 TIP3 9108 0.484 -1.787 3.231 1.00 0.00 WT1 H ATOM 26464 OH2 TIP3 9109 -2.960 -4.389 -2.354 1.00 0.00 WT1 O ATOM 26465 H1 TIP3 9109 -29.382 6.499 2.836 1.00 0.00 WT1 H ATOM 26466 H2 TIP3 9109 -1.375 -3.669 -7.536 1.00 0.00 WT1 H ATOM 26467 OH2 TIP3 9110 -1.399 3.372 -0.030 1.00 0.00 WT1 O ATOM 26468 H1 TIP3 9110 1.065 -0.164 9.923 1.00 0.00 WT1 H ATOM 26469 H2 TIP3 9110 -11.406 2.362 5.768 1.00 0.00 WT1 H ATOM 26470 OH2 TIP3 9111 -0.346 -1.257 2.266 1.00 0.00 WT1 O ATOM 26471 H1 TIP3 9111 9.499 7.520 8.728 1.00 0.00 WT1 H ATOM 26472 H2 TIP3 9111 19.815 12.166 15.011 1.00 0.00 WT1 H ATOM 26473 OH2 TIP3 9112 1.294 -0.871 -2.440 1.00 0.00 WT1 O ATOM 26474 H1 TIP3 9112 -1.099 -4.279 -4.297 1.00 0.00 WT1 H ATOM 26475 H2 TIP3 9112 3.600 -3.341 -0.350 1.00 0.00 WT1 H ATOM 26476 OH2 TIP3 9113 3.678 -4.382 2.529 1.00 0.00 WT1 O ATOM 26477 H1 TIP3 9113 1.360 -14.529 19.679 1.00 0.00 WT1 H ATOM 26478 H2 TIP3 9113 -4.975 9.370 -17.153 1.00 0.00 WT1 H ATOM 26479 OH2 TIP3 9114 1.157 -0.052 4.952 1.00 0.00 WT1 O ATOM 26480 H1 TIP3 9114 17.788 -6.416 -10.192 1.00 0.00 WT1 H ATOM 26481 H2 TIP3 9114 10.769 8.066 14.277 1.00 0.00 WT1 H ATOM 26482 OH2 TIP3 9115 3.968 0.760 -7.288 1.00 0.00 WT1 O ATOM 26483 H1 TIP3 9115 -25.910 15.757 6.819 1.00 0.00 WT1 H ATOM 26484 H2 TIP3 9115 -5.400 -2.428 -15.217 1.00 0.00 WT1 H ATOM 26485 OH2 TIP3 9116 0.198 -0.752 5.757 1.00 0.00 WT1 O ATOM 26486 H1 TIP3 9116 -2.415 -1.557 -9.614 1.00 0.00 WT1 H ATOM 26487 H2 TIP3 9116 -3.579 -21.086 9.025 1.00 0.00 WT1 H ATOM 26488 OH2 TIP3 9117 4.581 -7.353 -3.552 1.00 0.00 WT1 O ATOM 26489 H1 TIP3 9117 -4.116 15.045 -6.431 1.00 0.00 WT1 H ATOM 26490 H2 TIP3 9117 -13.263 -17.408 -2.879 1.00 0.00 WT1 H ATOM 26491 OH2 TIP3 9118 -0.750 1.699 -4.071 1.00 0.00 WT1 O ATOM 26492 H1 TIP3 9118 -3.985 11.634 -0.827 1.00 0.00 WT1 H ATOM 26493 H2 TIP3 9118 -1.329 -0.104 -3.693 1.00 0.00 WT1 H ATOM 26494 OH2 TIP3 9119 4.584 -6.201 0.523 1.00 0.00 WT1 O ATOM 26495 H1 TIP3 9119 -17.705 -7.125 -9.186 1.00 0.00 WT1 H ATOM 26496 H2 TIP3 9119 -10.257 22.241 -13.022 1.00 0.00 WT1 H ATOM 26497 OH2 TIP3 9120 0.682 2.452 -1.346 1.00 0.00 WT1 O ATOM 26498 H1 TIP3 9120 -1.421 13.691 -16.481 1.00 0.00 WT1 H ATOM 26499 H2 TIP3 9120 4.099 -3.929 4.317 1.00 0.00 WT1 H ATOM 26500 OH2 TIP3 9121 -3.714 -2.269 4.686 1.00 0.00 WT1 O ATOM 26501 H1 TIP3 9121 -13.319 2.098 1.303 1.00 0.00 WT1 H ATOM 26502 H2 TIP3 9121 4.137 -1.734 5.760 1.00 0.00 WT1 H ATOM 26503 OH2 TIP3 9122 -2.622 1.785 -3.659 1.00 0.00 WT1 O ATOM 26504 H1 TIP3 9122 -24.003 -1.392 11.554 1.00 0.00 WT1 H ATOM 26505 H2 TIP3 9122 -12.021 0.351 2.761 1.00 0.00 WT1 H ATOM 26506 OH2 TIP3 9123 -1.664 -0.362 0.693 1.00 0.00 WT1 O ATOM 26507 H1 TIP3 9123 38.536 -0.394 -9.098 1.00 0.00 WT1 H ATOM 26508 H2 TIP3 9123 4.942 -7.342 10.185 1.00 0.00 WT1 H ATOM 26509 OH2 TIP3 9124 2.385 3.028 -0.121 1.00 0.00 WT1 O ATOM 26510 H1 TIP3 9124 -9.392 10.613 5.030 1.00 0.00 WT1 H ATOM 26511 H2 TIP3 9124 18.540 19.999 -21.503 1.00 0.00 WT1 H ATOM 26512 OH2 TIP3 9125 3.310 -5.402 -3.575 1.00 0.00 WT1 O ATOM 26513 H1 TIP3 9125 4.436 -7.582 -1.568 1.00 0.00 WT1 H ATOM 26514 H2 TIP3 9125 -4.384 -7.245 20.499 1.00 0.00 WT1 H ATOM 26515 OH2 TIP3 9126 -3.283 -2.745 1.337 1.00 0.00 WT1 O ATOM 26516 H1 TIP3 9126 13.347 29.742 -5.911 1.00 0.00 WT1 H ATOM 26517 H2 TIP3 9126 9.409 -8.425 7.507 1.00 0.00 WT1 H ATOM 26518 OH2 TIP3 9127 -1.040 -4.630 -3.846 1.00 0.00 WT1 O ATOM 26519 H1 TIP3 9127 -10.034 -10.215 1.774 1.00 0.00 WT1 H ATOM 26520 H2 TIP3 9127 -7.001 -7.587 1.221 1.00 0.00 WT1 H ATOM 26521 OH2 TIP3 9128 -4.966 3.265 6.916 1.00 0.00 WT1 O ATOM 26522 H1 TIP3 9128 -10.690 8.599 3.102 1.00 0.00 WT1 H ATOM 26523 H2 TIP3 9128 19.154 -17.466 21.006 1.00 0.00 WT1 H ATOM 26524 OH2 TIP3 9129 -0.784 -1.492 -2.584 1.00 0.00 WT1 O ATOM 26525 H1 TIP3 9129 14.747 1.235 -9.308 1.00 0.00 WT1 H ATOM 26526 H2 TIP3 9129 17.618 2.095 -10.576 1.00 0.00 WT1 H ATOM 26527 OH2 TIP3 9130 3.447 5.621 -0.939 1.00 0.00 WT1 O ATOM 26528 H1 TIP3 9130 0.228 0.953 7.917 1.00 0.00 WT1 H ATOM 26529 H2 TIP3 9130 -1.748 18.147 -12.374 1.00 0.00 WT1 H ATOM 26530 OH2 TIP3 9131 7.934 3.165 8.610 1.00 0.00 WT1 O ATOM 26531 H1 TIP3 9131 13.892 13.650 -15.723 1.00 0.00 WT1 H ATOM 26532 H2 TIP3 9131 -1.811 -18.841 9.408 1.00 0.00 WT1 H ATOM 26533 OH2 TIP3 9132 3.352 -5.460 -0.244 1.00 0.00 WT1 O ATOM 26534 H1 TIP3 9132 2.968 -11.894 7.627 1.00 0.00 WT1 H ATOM 26535 H2 TIP3 9132 -11.090 -4.044 -2.127 1.00 0.00 WT1 H ATOM 26536 OH2 TIP3 9134 0.355 4.126 0.291 1.00 0.00 WT1 O ATOM 26537 H1 TIP3 9134 0.955 10.531 6.814 1.00 0.00 WT1 H ATOM 26538 H2 TIP3 9134 -2.279 -20.634 8.351 1.00 0.00 WT1 H ATOM 26539 OH2 TIP3 9135 1.933 3.263 -7.391 1.00 0.00 WT1 O ATOM 26540 H1 TIP3 9135 0.009 25.160 -8.592 1.00 0.00 WT1 H ATOM 26541 H2 TIP3 9135 3.204 8.295 4.562 1.00 0.00 WT1 H ATOM 26542 OH2 TIP3 9136 -3.701 0.756 -4.634 1.00 0.00 WT1 O ATOM 26543 H1 TIP3 9136 -2.612 9.205 7.506 1.00 0.00 WT1 H ATOM 26544 H2 TIP3 9136 6.062 1.247 -6.598 1.00 0.00 WT1 H ATOM 26545 OH2 TIP3 9138 -2.723 -1.518 5.728 1.00 0.00 WT1 O ATOM 26546 H1 TIP3 9138 11.067 -15.084 -16.670 1.00 0.00 WT1 H ATOM 26547 H2 TIP3 9138 18.081 9.376 -29.592 1.00 0.00 WT1 H ATOM 26548 OH2 TIP3 9139 -3.267 0.248 -0.236 1.00 0.00 WT1 O ATOM 26549 H1 TIP3 9139 2.452 2.055 -2.790 1.00 0.00 WT1 H ATOM 26550 H2 TIP3 9139 -4.497 -1.609 0.380 1.00 0.00 WT1 H ATOM 26551 OH2 TIP3 9140 -5.982 -1.264 -4.075 1.00 0.00 WT1 O ATOM 26552 H1 TIP3 9140 -10.083 12.689 3.035 1.00 0.00 WT1 H ATOM 26553 H2 TIP3 9140 -19.205 -9.618 -5.121 1.00 0.00 WT1 H ATOM 26554 OH2 TIP3 9141 -0.536 0.563 -0.589 1.00 0.00 WT1 O ATOM 26555 H1 TIP3 9141 -0.160 -1.230 1.365 1.00 0.00 WT1 H ATOM 26556 H2 TIP3 9141 23.701 1.007 -8.306 1.00 0.00 WT1 H ATOM 26557 OH2 TIP3 9142 0.483 4.142 0.827 1.00 0.00 WT1 O ATOM 26558 H1 TIP3 9142 -15.047 10.813 -13.727 1.00 0.00 WT1 H ATOM 26559 H2 TIP3 9142 -15.842 1.887 20.168 1.00 0.00 WT1 H ATOM 26560 OH2 TIP3 9144 0.541 4.871 -1.859 1.00 0.00 WT1 O ATOM 26561 H1 TIP3 9144 14.569 18.384 -10.005 1.00 0.00 WT1 H ATOM 26562 H2 TIP3 9144 -9.185 -5.591 -17.711 1.00 0.00 WT1 H ATOM 26563 OH2 TIP3 9145 -0.414 6.324 2.283 1.00 0.00 WT1 O ATOM 26564 H1 TIP3 9145 -22.407 5.785 -19.562 1.00 0.00 WT1 H ATOM 26565 H2 TIP3 9145 0.463 20.816 -14.342 1.00 0.00 WT1 H ATOM 26566 OH2 TIP3 9146 -0.013 2.671 -1.118 1.00 0.00 WT1 O ATOM 26567 H1 TIP3 9146 14.967 3.623 -11.488 1.00 0.00 WT1 H ATOM 26568 H2 TIP3 9146 14.927 1.888 -22.348 1.00 0.00 WT1 H ATOM 26569 OH2 TIP3 9147 0.962 0.078 -4.449 1.00 0.00 WT1 O ATOM 26570 H1 TIP3 9147 5.054 -22.966 5.704 1.00 0.00 WT1 H ATOM 26571 H2 TIP3 9147 -1.082 10.860 -8.695 1.00 0.00 WT1 H ATOM 26572 OH2 TIP3 9148 3.012 2.107 0.471 1.00 0.00 WT1 O ATOM 26573 H1 TIP3 9148 7.668 -2.807 28.130 1.00 0.00 WT1 H ATOM 26574 H2 TIP3 9148 14.194 -4.623 -4.803 1.00 0.00 WT1 H ATOM 26575 OH2 TIP3 9149 1.604 -3.094 -3.476 1.00 0.00 WT1 O ATOM 26576 H1 TIP3 9149 -7.052 -0.378 -8.705 1.00 0.00 WT1 H ATOM 26577 H2 TIP3 9149 5.927 -12.555 -10.362 1.00 0.00 WT1 H ATOM 26578 OH2 TIP3 9150 1.013 -3.712 -1.811 1.00 0.00 WT1 O ATOM 26579 H1 TIP3 9150 9.121 1.886 -4.915 1.00 0.00 WT1 H ATOM 26580 H2 TIP3 9150 7.203 -14.092 10.926 1.00 0.00 WT1 H ATOM 26581 OH2 TIP3 9152 -4.396 0.654 7.423 1.00 0.00 WT1 O ATOM 26582 H1 TIP3 9152 -17.537 8.088 22.899 1.00 0.00 WT1 H ATOM 26583 H2 TIP3 9152 18.033 10.099 -13.357 1.00 0.00 WT1 H ATOM 26584 OH2 TIP3 9153 -1.304 -1.227 -5.642 1.00 0.00 WT1 O ATOM 26585 H1 TIP3 9153 1.452 16.019 -6.773 1.00 0.00 WT1 H ATOM 26586 H2 TIP3 9153 -15.387 -2.357 4.304 1.00 0.00 WT1 H ATOM 26587 OH2 TIP3 9154 -10.280 -4.920 5.324 1.00 0.00 WT1 O ATOM 26588 H1 TIP3 9154 -8.066 -12.903 -5.737 1.00 0.00 WT1 H ATOM 26589 H2 TIP3 9154 -7.541 -3.887 0.964 1.00 0.00 WT1 H ATOM 26590 OH2 TIP3 9155 -4.229 1.282 4.640 1.00 0.00 WT1 O ATOM 26591 H1 TIP3 9155 0.943 -0.228 -30.749 1.00 0.00 WT1 H ATOM 26592 H2 TIP3 9155 -1.509 -0.330 -12.698 1.00 0.00 WT1 H ATOM 26593 OH2 TIP3 9156 -3.712 3.641 -8.714 1.00 0.00 WT1 O ATOM 26594 H1 TIP3 9156 -11.063 21.402 -26.656 1.00 0.00 WT1 H ATOM 26595 H2 TIP3 9156 9.564 32.881 21.356 1.00 0.00 WT1 H ATOM 26596 OH2 TIP3 9157 3.408 -2.143 3.308 1.00 0.00 WT1 O ATOM 26597 H1 TIP3 9157 13.479 9.835 6.242 1.00 0.00 WT1 H ATOM 26598 H2 TIP3 9157 5.217 -18.974 -2.207 1.00 0.00 WT1 H ATOM 26599 OH2 TIP3 9158 3.002 -2.385 -2.905 1.00 0.00 WT1 O ATOM 26600 H1 TIP3 9158 7.002 -5.485 -1.795 1.00 0.00 WT1 H ATOM 26601 H2 TIP3 9158 -3.590 -3.287 -1.128 1.00 0.00 WT1 H ATOM 26602 OH2 TIP3 9159 -3.100 -4.528 -5.996 1.00 0.00 WT1 O ATOM 26603 H1 TIP3 9159 -16.834 -11.460 17.447 1.00 0.00 WT1 H ATOM 26604 H2 TIP3 9159 -4.189 -1.644 -7.066 1.00 0.00 WT1 H ATOM 26605 OH2 TIP3 9160 -1.562 2.756 6.651 1.00 0.00 WT1 O ATOM 26606 H1 TIP3 9160 -7.402 -9.547 -8.427 1.00 0.00 WT1 H ATOM 26607 H2 TIP3 9160 -6.920 -7.896 -7.704 1.00 0.00 WT1 H ATOM 26608 OH2 TIP3 9161 -4.776 -5.599 1.488 1.00 0.00 WT1 O ATOM 26609 H1 TIP3 9161 -3.905 18.790 12.381 1.00 0.00 WT1 H ATOM 26610 H2 TIP3 9161 0.718 1.728 12.652 1.00 0.00 WT1 H ATOM 26611 OH2 TIP3 9162 -1.770 1.921 -4.763 1.00 0.00 WT1 O ATOM 26612 H1 TIP3 9162 -9.818 18.417 -4.487 1.00 0.00 WT1 H ATOM 26613 H2 TIP3 9162 1.560 -7.955 -5.390 1.00 0.00 WT1 H ATOM 26614 OH2 TIP3 9163 -3.417 2.373 4.814 1.00 0.00 WT1 O ATOM 26615 H1 TIP3 9163 -6.776 2.681 8.673 1.00 0.00 WT1 H ATOM 26616 H2 TIP3 9163 13.590 -2.997 -17.453 1.00 0.00 WT1 H ATOM 26617 OH2 TIP3 9164 5.419 -1.380 -0.741 1.00 0.00 WT1 O ATOM 26618 H1 TIP3 9164 -7.996 -2.848 -6.213 1.00 0.00 WT1 H ATOM 26619 H2 TIP3 9164 -6.360 12.830 14.336 1.00 0.00 WT1 H ATOM 26620 OH2 TIP3 9165 -3.667 -2.095 4.082 1.00 0.00 WT1 O ATOM 26621 H1 TIP3 9165 9.530 -3.946 5.898 1.00 0.00 WT1 H ATOM 26622 H2 TIP3 9165 11.417 3.096 3.469 1.00 0.00 WT1 H ATOM 26623 OH2 TIP3 9166 5.380 0.093 0.145 1.00 0.00 WT1 O ATOM 26624 H1 TIP3 9166 4.622 7.478 -18.581 1.00 0.00 WT1 H ATOM 26625 H2 TIP3 9166 -15.248 8.591 1.957 1.00 0.00 WT1 H ATOM 26626 OH2 TIP3 9167 0.650 6.979 5.628 1.00 0.00 WT1 O ATOM 26627 H1 TIP3 9167 -5.899 17.481 -19.731 1.00 0.00 WT1 H ATOM 26628 H2 TIP3 9167 3.903 3.964 15.659 1.00 0.00 WT1 H ATOM 26629 OH2 TIP3 9168 -13.746 3.386 2.243 1.00 0.00 WT1 O ATOM 26630 H1 TIP3 9168 17.951 -2.605 -13.389 1.00 0.00 WT1 H ATOM 26631 H2 TIP3 9168 -0.267 6.274 -0.197 1.00 0.00 WT1 H ATOM 26632 OH2 TIP3 9169 0.425 2.681 10.943 1.00 0.00 WT1 O ATOM 26633 H1 TIP3 9169 -2.581 1.631 4.629 1.00 0.00 WT1 H ATOM 26634 H2 TIP3 9169 -3.515 5.689 12.770 1.00 0.00 WT1 H ATOM 26635 OH2 TIP3 9170 2.627 -2.955 0.503 1.00 0.00 WT1 O ATOM 26636 H1 TIP3 9170 5.392 1.856 0.802 1.00 0.00 WT1 H ATOM 26637 H2 TIP3 9170 19.785 -11.911 8.287 1.00 0.00 WT1 H ATOM 26638 OH2 TIP3 9171 0.994 6.062 -0.124 1.00 0.00 WT1 O ATOM 26639 H1 TIP3 9171 -22.163 2.580 -8.907 1.00 0.00 WT1 H ATOM 26640 H2 TIP3 9171 9.487 3.670 -12.398 1.00 0.00 WT1 H ATOM 26641 OH2 TIP3 9172 1.812 -1.699 3.470 1.00 0.00 WT1 O ATOM 26642 H1 TIP3 9172 24.682 11.663 -31.220 1.00 0.00 WT1 H ATOM 26643 H2 TIP3 9172 -15.103 -34.343 17.905 1.00 0.00 WT1 H ATOM 26644 OH2 TIP3 9173 0.260 -3.814 0.129 1.00 0.00 WT1 O ATOM 26645 H1 TIP3 9173 2.875 -4.810 4.527 1.00 0.00 WT1 H ATOM 26646 H2 TIP3 9173 -6.276 -0.108 4.268 1.00 0.00 WT1 H ATOM 26647 OH2 TIP3 9174 -6.242 -0.880 3.129 1.00 0.00 WT1 O ATOM 26648 H1 TIP3 9174 -1.479 16.777 -0.614 1.00 0.00 WT1 H ATOM 26649 H2 TIP3 9174 5.668 -17.442 2.385 1.00 0.00 WT1 H ATOM 26650 OH2 TIP3 9175 2.111 -3.823 -1.649 1.00 0.00 WT1 O ATOM 26651 H1 TIP3 9175 -10.592 2.485 3.575 1.00 0.00 WT1 H ATOM 26652 H2 TIP3 9175 10.470 -4.863 -4.995 1.00 0.00 WT1 H ATOM 26653 OH2 TIP3 9176 -1.927 -5.400 -4.624 1.00 0.00 WT1 O ATOM 26654 H1 TIP3 9176 10.155 -3.881 9.800 1.00 0.00 WT1 H ATOM 26655 H2 TIP3 9176 8.429 2.996 -4.442 1.00 0.00 WT1 H ATOM 26656 OH2 TIP3 9177 3.366 -1.465 2.523 1.00 0.00 WT1 O ATOM 26657 H1 TIP3 9177 -0.898 17.263 -9.198 1.00 0.00 WT1 H ATOM 26658 H2 TIP3 9177 5.252 -2.059 -5.035 1.00 0.00 WT1 H ATOM 26659 OH2 TIP3 9178 1.095 -3.510 -7.801 1.00 0.00 WT1 O ATOM 26660 H1 TIP3 9178 6.808 -2.632 1.262 1.00 0.00 WT1 H ATOM 26661 H2 TIP3 9178 -14.361 -7.116 -2.972 1.00 0.00 WT1 H ATOM 26662 OH2 TIP3 9179 -0.884 2.724 8.717 1.00 0.00 WT1 O ATOM 26663 H1 TIP3 9179 10.072 28.621 -5.232 1.00 0.00 WT1 H ATOM 26664 H2 TIP3 9179 -20.876 -10.126 16.407 1.00 0.00 WT1 H ATOM 26665 OH2 TIP3 9180 -1.332 0.759 2.528 1.00 0.00 WT1 O ATOM 26666 H1 TIP3 9180 34.439 -4.801 -16.396 1.00 0.00 WT1 H ATOM 26667 H2 TIP3 9180 10.281 -2.544 -3.155 1.00 0.00 WT1 H ATOM 26668 OH2 TIP3 9181 -1.347 4.118 -4.402 1.00 0.00 WT1 O ATOM 26669 H1 TIP3 9181 10.469 0.267 -0.486 1.00 0.00 WT1 H ATOM 26670 H2 TIP3 9181 -24.628 3.716 -7.329 1.00 0.00 WT1 H ATOM 26671 OH2 TIP3 9182 7.071 6.761 -2.983 1.00 0.00 WT1 O ATOM 26672 H1 TIP3 9182 6.421 -12.246 -10.846 1.00 0.00 WT1 H ATOM 26673 H2 TIP3 9182 14.329 -1.926 2.442 1.00 0.00 WT1 H ATOM 26674 OH2 TIP3 9183 4.761 -5.143 -2.244 1.00 0.00 WT1 O ATOM 26675 H1 TIP3 9183 9.721 -10.294 -11.779 1.00 0.00 WT1 H ATOM 26676 H2 TIP3 9183 14.962 2.782 5.099 1.00 0.00 WT1 H ATOM 26677 OH2 TIP3 9184 -0.711 -0.830 -2.547 1.00 0.00 WT1 O ATOM 26678 H1 TIP3 9184 -18.309 -1.546 -11.889 1.00 0.00 WT1 H ATOM 26679 H2 TIP3 9184 3.227 7.089 2.028 1.00 0.00 WT1 H ATOM 26680 OH2 TIP3 9185 -2.076 2.159 -0.062 1.00 0.00 WT1 O ATOM 26681 H1 TIP3 9185 3.810 -12.443 -7.884 1.00 0.00 WT1 H ATOM 26682 H2 TIP3 9185 4.341 3.052 8.183 1.00 0.00 WT1 H ATOM 26683 OH2 TIP3 9186 2.328 1.186 -6.576 1.00 0.00 WT1 O ATOM 26684 H1 TIP3 9186 13.048 -7.989 -3.585 1.00 0.00 WT1 H ATOM 26685 H2 TIP3 9186 12.083 12.981 0.678 1.00 0.00 WT1 H ATOM 26686 OH2 TIP3 9187 5.020 3.136 5.209 1.00 0.00 WT1 O ATOM 26687 H1 TIP3 9187 -10.815 24.310 10.109 1.00 0.00 WT1 H ATOM 26688 H2 TIP3 9187 14.093 6.288 -19.085 1.00 0.00 WT1 H ATOM 26689 OH2 TIP3 9188 -2.127 -1.861 -0.850 1.00 0.00 WT1 O ATOM 26690 H1 TIP3 9188 0.183 -9.445 0.734 1.00 0.00 WT1 H ATOM 26691 H2 TIP3 9188 5.515 -0.352 -3.750 1.00 0.00 WT1 H ATOM 26692 OH2 TIP3 9189 -3.930 0.770 -5.478 1.00 0.00 WT1 O ATOM 26693 H1 TIP3 9189 -7.669 -16.276 -7.679 1.00 0.00 WT1 H ATOM 26694 H2 TIP3 9189 1.116 2.878 5.531 1.00 0.00 WT1 H ATOM 26695 OH2 TIP3 9190 6.940 5.022 -2.880 1.00 0.00 WT1 O ATOM 26696 H1 TIP3 9190 20.409 -8.904 -10.380 1.00 0.00 WT1 H ATOM 26697 H2 TIP3 9190 -5.902 -2.908 7.253 1.00 0.00 WT1 H ATOM 26698 OH2 TIP3 9191 2.343 9.588 1.962 1.00 0.00 WT1 O ATOM 26699 H1 TIP3 9191 16.946 -19.246 9.116 1.00 0.00 WT1 H ATOM 26700 H2 TIP3 9191 -24.476 -10.043 -3.870 1.00 0.00 WT1 H ATOM 26701 OH2 TIP3 9192 8.834 3.963 -0.808 1.00 0.00 WT1 O ATOM 26702 H1 TIP3 9192 6.187 -9.970 8.839 1.00 0.00 WT1 H ATOM 26703 H2 TIP3 9192 16.318 15.647 10.203 1.00 0.00 WT1 H ATOM 26704 OH2 TIP3 9193 -3.781 4.529 9.448 1.00 0.00 WT1 O ATOM 26705 H1 TIP3 9193 -4.802 -2.160 17.099 1.00 0.00 WT1 H ATOM 26706 H2 TIP3 9193 8.810 6.625 11.306 1.00 0.00 WT1 H ATOM 26707 OH2 TIP3 9194 -0.990 4.754 -2.043 1.00 0.00 WT1 O ATOM 26708 H1 TIP3 9194 6.256 -5.754 -11.341 1.00 0.00 WT1 H ATOM 26709 H2 TIP3 9194 -4.230 -13.700 4.126 1.00 0.00 WT1 H ATOM 26710 OH2 TIP3 9195 -1.906 1.017 -3.314 1.00 0.00 WT1 O ATOM 26711 H1 TIP3 9195 8.546 20.706 -17.848 1.00 0.00 WT1 H ATOM 26712 H2 TIP3 9195 -12.422 -11.024 -11.004 1.00 0.00 WT1 H ATOM 26713 OH2 TIP3 9196 -1.845 -3.545 -5.224 1.00 0.00 WT1 O ATOM 26714 H1 TIP3 9196 -1.937 -6.408 -6.991 1.00 0.00 WT1 H ATOM 26715 H2 TIP3 9196 -2.066 9.273 -14.379 1.00 0.00 WT1 H ATOM 26716 OH2 TIP3 9197 0.231 -6.653 5.198 1.00 0.00 WT1 O ATOM 26717 H1 TIP3 9197 17.776 -15.167 -8.854 1.00 0.00 WT1 H ATOM 26718 H2 TIP3 9197 -5.576 8.967 19.315 1.00 0.00 WT1 H ATOM 26719 OH2 TIP3 9198 -3.197 0.640 2.311 1.00 0.00 WT1 O ATOM 26720 H1 TIP3 9198 0.179 -20.082 30.250 1.00 0.00 WT1 H ATOM 26721 H2 TIP3 9198 8.747 2.009 -21.909 1.00 0.00 WT1 H ATOM 26722 OH2 TIP3 9199 -5.175 2.718 4.803 1.00 0.00 WT1 O ATOM 26723 H1 TIP3 9199 -23.756 -11.153 -11.447 1.00 0.00 WT1 H ATOM 26724 H2 TIP3 9199 0.895 -17.935 26.026 1.00 0.00 WT1 H ATOM 26725 OH2 TIP3 9200 1.462 3.592 -0.751 1.00 0.00 WT1 O ATOM 26726 H1 TIP3 9200 -9.230 -20.769 11.932 1.00 0.00 WT1 H ATOM 26727 H2 TIP3 9200 -3.693 -16.510 -7.840 1.00 0.00 WT1 H ATOM 26728 OH2 TIP3 9201 4.136 -1.166 7.723 1.00 0.00 WT1 O ATOM 26729 H1 TIP3 9201 17.650 -2.261 4.563 1.00 0.00 WT1 H ATOM 26730 H2 TIP3 9201 10.859 10.908 -6.027 1.00 0.00 WT1 H ATOM 26731 OH2 TIP3 9202 3.703 -0.440 4.665 1.00 0.00 WT1 O ATOM 26732 H1 TIP3 9202 32.407 -15.021 12.527 1.00 0.00 WT1 H ATOM 26733 H2 TIP3 9202 -16.255 7.985 -0.809 1.00 0.00 WT1 H ATOM 26734 OH2 TIP3 9203 -0.185 1.590 0.080 1.00 0.00 WT1 O ATOM 26735 H1 TIP3 9203 -14.429 0.580 11.556 1.00 0.00 WT1 H ATOM 26736 H2 TIP3 9203 19.849 -1.364 -17.241 1.00 0.00 WT1 H ATOM 26737 OH2 TIP3 9204 -2.755 -3.900 1.155 1.00 0.00 WT1 O ATOM 26738 H1 TIP3 9204 8.073 -30.371 13.506 1.00 0.00 WT1 H ATOM 26739 H2 TIP3 9204 -24.461 -9.532 27.870 1.00 0.00 WT1 H ATOM 26740 OH2 TIP3 9205 8.621 -2.052 4.705 1.00 0.00 WT1 O ATOM 26741 H1 TIP3 9205 -3.694 -2.439 2.795 1.00 0.00 WT1 H ATOM 26742 H2 TIP3 9205 17.086 -15.266 0.635 1.00 0.00 WT1 H ATOM 26743 OH2 TIP3 9206 -0.936 0.125 -0.940 1.00 0.00 WT1 O ATOM 26744 H1 TIP3 9206 5.008 15.885 -19.767 1.00 0.00 WT1 H ATOM 26745 H2 TIP3 9206 -11.821 -6.642 29.050 1.00 0.00 WT1 H ATOM 26746 OH2 TIP3 9207 -1.730 3.930 4.907 1.00 0.00 WT1 O ATOM 26747 H1 TIP3 9207 -4.514 10.998 19.872 1.00 0.00 WT1 H ATOM 26748 H2 TIP3 9207 4.506 19.094 -4.028 1.00 0.00 WT1 H ATOM 26749 OH2 TIP3 9208 -5.697 6.664 2.582 1.00 0.00 WT1 O ATOM 26750 H1 TIP3 9208 -1.949 -18.179 24.537 1.00 0.00 WT1 H ATOM 26751 H2 TIP3 9208 -3.964 -9.952 13.726 1.00 0.00 WT1 H ATOM 26752 OH2 TIP3 9209 -3.916 -2.155 4.881 1.00 0.00 WT1 O ATOM 26753 H1 TIP3 9209 -2.685 -1.784 5.931 1.00 0.00 WT1 H ATOM 26754 H2 TIP3 9209 28.343 4.534 11.590 1.00 0.00 WT1 H ATOM 26755 OH2 TIP3 9210 -0.045 -2.848 -6.616 1.00 0.00 WT1 O ATOM 26756 H1 TIP3 9210 -2.408 4.559 -11.601 1.00 0.00 WT1 H ATOM 26757 H2 TIP3 9210 -14.742 -12.307 0.815 1.00 0.00 WT1 H ATOM 26758 OH2 TIP3 9211 4.282 1.400 3.587 1.00 0.00 WT1 O ATOM 26759 H1 TIP3 9211 0.809 18.264 1.337 1.00 0.00 WT1 H ATOM 26760 H2 TIP3 9211 1.031 2.336 5.458 1.00 0.00 WT1 H ATOM 26761 OH2 TIP3 9212 -4.101 -1.085 2.284 1.00 0.00 WT1 O ATOM 26762 H1 TIP3 9212 -4.557 14.185 -14.255 1.00 0.00 WT1 H ATOM 26763 H2 TIP3 9212 -7.883 -11.670 2.570 1.00 0.00 WT1 H ATOM 26764 OH2 TIP3 9213 -3.129 -5.581 -2.410 1.00 0.00 WT1 O ATOM 26765 H1 TIP3 9213 -36.917 21.438 10.101 1.00 0.00 WT1 H ATOM 26766 H2 TIP3 9213 -0.343 20.840 26.162 1.00 0.00 WT1 H ATOM 26767 OH2 TIP3 9214 -0.525 3.447 0.924 1.00 0.00 WT1 O ATOM 26768 H1 TIP3 9214 8.690 -2.422 4.382 1.00 0.00 WT1 H ATOM 26769 H2 TIP3 9214 7.592 -11.144 -19.028 1.00 0.00 WT1 H ATOM 26770 OH2 TIP3 9215 -1.795 -3.432 1.322 1.00 0.00 WT1 O ATOM 26771 H1 TIP3 9215 -21.313 18.544 4.161 1.00 0.00 WT1 H ATOM 26772 H2 TIP3 9215 -8.387 -2.476 9.439 1.00 0.00 WT1 H ATOM 26773 OH2 TIP3 9216 -2.695 1.237 1.392 1.00 0.00 WT1 O ATOM 26774 H1 TIP3 9216 -3.635 10.214 15.641 1.00 0.00 WT1 H ATOM 26775 H2 TIP3 9216 18.188 -1.031 9.822 1.00 0.00 WT1 H ATOM 26776 OH2 TIP3 9217 -2.596 -0.519 1.017 1.00 0.00 WT1 O ATOM 26777 H1 TIP3 9217 2.337 -0.009 3.739 1.00 0.00 WT1 H ATOM 26778 H2 TIP3 9217 -21.858 -15.268 -14.440 1.00 0.00 WT1 H ATOM 26779 OH2 TIP3 9218 -2.266 -6.694 3.941 1.00 0.00 WT1 O ATOM 26780 H1 TIP3 9218 0.065 3.800 -12.197 1.00 0.00 WT1 H ATOM 26781 H2 TIP3 9218 -13.789 -23.291 7.059 1.00 0.00 WT1 H ATOM 26782 OH2 TIP3 9219 2.966 8.544 2.376 1.00 0.00 WT1 O ATOM 26783 H1 TIP3 9219 -16.725 -13.687 3.490 1.00 0.00 WT1 H ATOM 26784 H2 TIP3 9219 2.332 12.893 -4.763 1.00 0.00 WT1 H ATOM 26785 OH2 TIP3 9220 -0.053 -3.647 5.324 1.00 0.00 WT1 O ATOM 26786 H1 TIP3 9220 -0.159 9.056 8.257 1.00 0.00 WT1 H ATOM 26787 H2 TIP3 9220 -10.169 -5.452 -2.941 1.00 0.00 WT1 H ATOM 26788 OH2 TIP3 9222 6.200 -8.456 -4.086 1.00 0.00 WT1 O ATOM 26789 H1 TIP3 9222 -15.161 -7.084 13.834 1.00 0.00 WT1 H ATOM 26790 H2 TIP3 9222 6.795 2.231 8.547 1.00 0.00 WT1 H ATOM 26791 OH2 TIP3 9223 -4.480 -1.786 5.062 1.00 0.00 WT1 O ATOM 26792 H1 TIP3 9223 -4.260 -7.318 12.750 1.00 0.00 WT1 H ATOM 26793 H2 TIP3 9223 -15.095 -11.277 5.567 1.00 0.00 WT1 H ATOM 26794 OH2 TIP3 9224 -3.941 2.672 -3.780 1.00 0.00 WT1 O ATOM 26795 H1 TIP3 9224 -6.338 -36.861 -4.012 1.00 0.00 WT1 H ATOM 26796 H2 TIP3 9224 2.774 12.420 20.395 1.00 0.00 WT1 H ATOM 26797 OH2 TIP3 9225 1.097 5.530 -4.294 1.00 0.00 WT1 O ATOM 26798 H1 TIP3 9225 12.130 -13.080 6.619 1.00 0.00 WT1 H ATOM 26799 H2 TIP3 9225 -8.367 7.925 4.396 1.00 0.00 WT1 H ATOM 26800 OH2 TIP3 9226 0.893 -2.646 0.878 1.00 0.00 WT1 O ATOM 26801 H1 TIP3 9226 7.928 0.220 3.534 1.00 0.00 WT1 H ATOM 26802 H2 TIP3 9226 30.636 5.580 7.743 1.00 0.00 WT1 H ATOM 26803 OH2 TIP3 9227 5.842 -0.208 -0.378 1.00 0.00 WT1 O ATOM 26804 H1 TIP3 9227 8.660 -5.316 -20.114 1.00 0.00 WT1 H ATOM 26805 H2 TIP3 9227 8.988 -3.739 -9.403 1.00 0.00 WT1 H ATOM 26806 OH2 TIP3 9228 1.889 -7.903 5.125 1.00 0.00 WT1 O ATOM 26807 H1 TIP3 9228 -10.717 5.816 -7.047 1.00 0.00 WT1 H ATOM 26808 H2 TIP3 9228 18.479 -0.508 3.189 1.00 0.00 WT1 H ATOM 26809 OH2 TIP3 9229 -7.030 1.898 2.786 1.00 0.00 WT1 O ATOM 26810 H1 TIP3 9229 -3.172 16.276 5.328 1.00 0.00 WT1 H ATOM 26811 H2 TIP3 9229 -7.443 1.936 -12.798 1.00 0.00 WT1 H ATOM 26812 OH2 TIP3 9230 2.486 -6.229 -3.560 1.00 0.00 WT1 O ATOM 26813 H1 TIP3 9230 10.384 -17.026 -9.676 1.00 0.00 WT1 H ATOM 26814 H2 TIP3 9230 11.292 4.524 1.151 1.00 0.00 WT1 H ATOM 26815 OH2 TIP3 9231 0.681 -1.641 -1.628 1.00 0.00 WT1 O ATOM 26816 H1 TIP3 9231 -4.323 4.818 -10.809 1.00 0.00 WT1 H ATOM 26817 H2 TIP3 9231 0.496 -1.921 -3.166 1.00 0.00 WT1 H ATOM 26818 OH2 TIP3 9232 -6.284 -3.143 -5.711 1.00 0.00 WT1 O ATOM 26819 H1 TIP3 9232 -6.979 25.326 4.801 1.00 0.00 WT1 H ATOM 26820 H2 TIP3 9232 -1.395 -18.777 -2.422 1.00 0.00 WT1 H ATOM 26821 OH2 TIP3 9233 4.896 -5.274 2.866 1.00 0.00 WT1 O ATOM 26822 H1 TIP3 9233 1.269 18.893 16.504 1.00 0.00 WT1 H ATOM 26823 H2 TIP3 9233 -29.158 -5.947 9.112 1.00 0.00 WT1 H ATOM 26824 OH2 TIP3 9234 -0.283 -0.403 -3.577 1.00 0.00 WT1 O ATOM 26825 H1 TIP3 9234 7.619 -10.513 14.604 1.00 0.00 WT1 H ATOM 26826 H2 TIP3 9234 -21.268 -9.963 -9.675 1.00 0.00 WT1 H ATOM 26827 OH2 TIP3 9235 -0.481 -0.673 0.716 1.00 0.00 WT1 O ATOM 26828 H1 TIP3 9235 -16.560 -9.211 9.745 1.00 0.00 WT1 H ATOM 26829 H2 TIP3 9235 10.123 -3.495 5.617 1.00 0.00 WT1 H ATOM 26830 OH2 TIP3 9236 -4.793 -6.295 1.355 1.00 0.00 WT1 O ATOM 26831 H1 TIP3 9236 -11.060 -11.714 4.209 1.00 0.00 WT1 H ATOM 26832 H2 TIP3 9236 -15.778 1.100 17.640 1.00 0.00 WT1 H ATOM 26833 OH2 TIP3 9237 -6.650 -2.253 10.401 1.00 0.00 WT1 O ATOM 26834 H1 TIP3 9237 -5.528 -0.553 -4.129 1.00 0.00 WT1 H ATOM 26835 H2 TIP3 9237 5.019 -0.299 15.235 1.00 0.00 WT1 H ATOM 26836 OH2 TIP3 9238 -4.848 2.063 -0.264 1.00 0.00 WT1 O ATOM 26837 H1 TIP3 9238 0.583 38.683 -57.452 1.00 0.00 WT1 H ATOM 26838 H2 TIP3 9238 31.385 15.037 21.606 1.00 0.00 WT1 H ATOM 26839 OH2 TIP3 9239 0.073 2.338 6.682 1.00 0.00 WT1 O ATOM 26840 H1 TIP3 9239 -1.593 4.610 9.509 1.00 0.00 WT1 H ATOM 26841 H2 TIP3 9239 17.739 -12.990 3.496 1.00 0.00 WT1 H ATOM 26842 OH2 TIP3 9240 -8.324 0.579 -5.123 1.00 0.00 WT1 O ATOM 26843 H1 TIP3 9240 14.685 -10.085 9.238 1.00 0.00 WT1 H ATOM 26844 H2 TIP3 9240 -10.655 0.849 -0.472 1.00 0.00 WT1 H ATOM 26845 OH2 TIP3 9241 0.920 -1.753 -2.790 1.00 0.00 WT1 O ATOM 26846 H1 TIP3 9241 0.943 -2.689 -5.152 1.00 0.00 WT1 H ATOM 26847 H2 TIP3 9241 0.901 -1.989 -3.285 1.00 0.00 WT1 H ATOM 26848 OH2 TIP3 9243 0.114 2.648 -3.601 1.00 0.00 WT1 O ATOM 26849 H1 TIP3 9243 15.556 -5.597 16.006 1.00 0.00 WT1 H ATOM 26850 H2 TIP3 9243 -3.060 12.588 15.865 1.00 0.00 WT1 H ATOM 26851 OH2 TIP3 9244 -1.398 -1.159 -2.437 1.00 0.00 WT1 O ATOM 26852 H1 TIP3 9244 -1.777 -3.731 -14.359 1.00 0.00 WT1 H ATOM 26853 H2 TIP3 9244 -9.115 3.821 -1.343 1.00 0.00 WT1 H ATOM 26854 OH2 TIP3 9245 5.806 7.065 6.307 1.00 0.00 WT1 O ATOM 26855 H1 TIP3 9245 19.284 15.925 3.248 1.00 0.00 WT1 H ATOM 26856 H2 TIP3 9245 -12.754 -3.065 15.648 1.00 0.00 WT1 H ATOM 26857 OH2 TIP3 9246 -9.039 -3.581 1.835 1.00 0.00 WT1 O ATOM 26858 H1 TIP3 9246 -8.417 19.784 26.174 1.00 0.00 WT1 H ATOM 26859 H2 TIP3 9246 -9.506 -17.916 -12.532 1.00 0.00 WT1 H ATOM 26860 OH2 TIP3 9247 1.003 0.277 -0.639 1.00 0.00 WT1 O ATOM 26861 H1 TIP3 9247 14.176 -1.370 3.170 1.00 0.00 WT1 H ATOM 26862 H2 TIP3 9247 -2.291 -6.257 19.984 1.00 0.00 WT1 H ATOM 26863 OH2 TIP3 9248 4.474 -1.041 -1.869 1.00 0.00 WT1 O ATOM 26864 H1 TIP3 9248 7.885 3.930 6.317 1.00 0.00 WT1 H ATOM 26865 H2 TIP3 9248 -1.014 2.292 1.111 1.00 0.00 WT1 H ATOM 26866 OH2 TIP3 9249 2.443 4.630 -1.026 1.00 0.00 WT1 O ATOM 26867 H1 TIP3 9249 -17.520 -11.691 8.113 1.00 0.00 WT1 H ATOM 26868 H2 TIP3 9249 -14.827 4.922 -0.955 1.00 0.00 WT1 H ATOM 26869 OH2 TIP3 9250 -3.061 -3.969 1.286 1.00 0.00 WT1 O ATOM 26870 H1 TIP3 9250 12.799 -6.165 -2.491 1.00 0.00 WT1 H ATOM 26871 H2 TIP3 9250 -1.598 0.612 -9.558 1.00 0.00 WT1 H ATOM 26872 OH2 TIP3 9251 0.047 4.692 -0.570 1.00 0.00 WT1 O ATOM 26873 H1 TIP3 9251 -19.445 11.163 5.727 1.00 0.00 WT1 H ATOM 26874 H2 TIP3 9251 16.872 -18.885 6.076 1.00 0.00 WT1 H ATOM 26875 OH2 TIP3 9252 -0.613 1.224 -4.047 1.00 0.00 WT1 O ATOM 26876 H1 TIP3 9252 9.566 1.576 23.154 1.00 0.00 WT1 H ATOM 26877 H2 TIP3 9252 7.754 3.836 5.180 1.00 0.00 WT1 H ATOM 26878 OH2 TIP3 9253 -2.612 7.690 0.168 1.00 0.00 WT1 O ATOM 26879 H1 TIP3 9253 11.327 -17.060 -26.936 1.00 0.00 WT1 H ATOM 26880 H2 TIP3 9253 14.263 13.023 -12.292 1.00 0.00 WT1 H ATOM 26881 OH2 TIP3 9254 -3.510 -0.140 1.388 1.00 0.00 WT1 O ATOM 26882 H1 TIP3 9254 -6.814 1.045 5.014 1.00 0.00 WT1 H ATOM 26883 H2 TIP3 9254 12.327 2.434 -1.698 1.00 0.00 WT1 H ATOM 26884 OH2 TIP3 9255 -2.633 2.559 7.595 1.00 0.00 WT1 O ATOM 26885 H1 TIP3 9255 -10.538 -17.450 -18.934 1.00 0.00 WT1 H ATOM 26886 H2 TIP3 9255 -10.031 -3.656 2.511 1.00 0.00 WT1 H ATOM 26887 OH2 TIP3 9256 1.461 5.122 -0.088 1.00 0.00 WT1 O ATOM 26888 H1 TIP3 9256 19.138 -2.585 -6.337 1.00 0.00 WT1 H ATOM 26889 H2 TIP3 9256 3.325 11.450 -10.897 1.00 0.00 WT1 H ATOM 26890 OH2 TIP3 9257 -5.127 -7.527 -0.379 1.00 0.00 WT1 O ATOM 26891 H1 TIP3 9257 12.491 11.186 18.322 1.00 0.00 WT1 H ATOM 26892 H2 TIP3 9257 13.740 -26.170 -16.512 1.00 0.00 WT1 H ATOM 26893 OH2 TIP3 9258 7.023 2.184 6.337 1.00 0.00 WT1 O ATOM 26894 H1 TIP3 9258 6.272 7.994 5.036 1.00 0.00 WT1 H ATOM 26895 H2 TIP3 9258 -1.076 -8.041 0.411 1.00 0.00 WT1 H ATOM 26896 OH2 TIP3 9259 1.398 -7.059 2.339 1.00 0.00 WT1 O ATOM 26897 H1 TIP3 9259 10.624 -12.164 10.910 1.00 0.00 WT1 H ATOM 26898 H2 TIP3 9259 15.369 -9.757 2.783 1.00 0.00 WT1 H ATOM 26899 OH2 TIP3 9260 5.896 5.453 4.917 1.00 0.00 WT1 O ATOM 26900 H1 TIP3 9260 7.688 13.385 16.608 1.00 0.00 WT1 H ATOM 26901 H2 TIP3 9260 5.723 8.073 12.420 1.00 0.00 WT1 H ATOM 26902 OH2 TIP3 9261 5.901 8.963 -2.470 1.00 0.00 WT1 O ATOM 26903 H1 TIP3 9261 -19.078 -0.391 -6.018 1.00 0.00 WT1 H ATOM 26904 H2 TIP3 9261 15.687 -0.773 11.065 1.00 0.00 WT1 H ATOM 26905 OH2 TIP3 2 -0.144 1.998 6.686 1.00 0.00 WT2 O ATOM 26906 H1 TIP3 2 0.213 0.173 6.286 1.00 0.00 WT2 H ATOM 26907 H2 TIP3 2 -2.040 -23.489 3.172 1.00 0.00 WT2 H ATOM 26908 OH2 TIP3 3 0.633 0.216 -2.753 1.00 0.00 WT2 O ATOM 26909 H1 TIP3 3 -0.856 20.396 -12.317 1.00 0.00 WT2 H ATOM 26910 H2 TIP3 3 12.205 -5.692 -4.438 1.00 0.00 WT2 H ATOM 26911 OH2 TIP3 4 -1.932 -5.054 0.904 1.00 0.00 WT2 O ATOM 26912 H1 TIP3 4 26.197 11.458 0.972 1.00 0.00 WT2 H ATOM 26913 H2 TIP3 4 17.816 3.710 0.808 1.00 0.00 WT2 H ATOM 26914 OH2 TIP3 5 10.793 -1.341 0.599 1.00 0.00 WT2 O ATOM 26915 H1 TIP3 5 9.008 -10.633 -14.402 1.00 0.00 WT2 H ATOM 26916 H2 TIP3 5 1.722 1.183 18.015 1.00 0.00 WT2 H ATOM 26917 OH2 TIP3 7 0.155 2.992 -0.396 1.00 0.00 WT2 O ATOM 26918 H1 TIP3 7 0.206 1.155 3.856 1.00 0.00 WT2 H ATOM 26919 H2 TIP3 7 0.635 4.428 -2.006 1.00 0.00 WT2 H ATOM 26920 OH2 TIP3 9 1.054 -1.741 4.182 1.00 0.00 WT2 O ATOM 26921 H1 TIP3 9 -8.112 16.741 22.869 1.00 0.00 WT2 H ATOM 26922 H2 TIP3 9 3.035 21.583 -20.722 1.00 0.00 WT2 H ATOM 26923 OH2 TIP3 11 1.844 1.914 -0.706 1.00 0.00 WT2 O ATOM 26924 H1 TIP3 11 -9.927 1.114 14.158 1.00 0.00 WT2 H ATOM 26925 H2 TIP3 11 7.388 -20.322 -3.033 1.00 0.00 WT2 H ATOM 26926 OH2 TIP3 21 0.691 -4.434 -3.151 1.00 0.00 WT2 O ATOM 26927 H1 TIP3 21 -3.689 -13.429 -5.394 1.00 0.00 WT2 H ATOM 26928 H2 TIP3 21 -7.467 -10.338 -6.246 1.00 0.00 WT2 H ATOM 26929 OH2 TIP3 22 1.458 -6.210 1.684 1.00 0.00 WT2 O ATOM 26930 H1 TIP3 22 1.045 5.737 -0.682 1.00 0.00 WT2 H ATOM 26931 H2 TIP3 22 14.046 -25.971 -2.411 1.00 0.00 WT2 H ATOM 26932 OH2 TIP3 23 -7.299 4.213 -1.710 1.00 0.00 WT2 O ATOM 26933 H1 TIP3 23 -6.089 -0.482 7.577 1.00 0.00 WT2 H ATOM 26934 H2 TIP3 23 -2.849 -9.841 -30.421 1.00 0.00 WT2 H ATOM 26935 OH2 TIP3 24 -3.425 -3.400 -3.552 1.00 0.00 WT2 O ATOM 26936 H1 TIP3 24 13.021 -0.737 16.523 1.00 0.00 WT2 H ATOM 26937 H2 TIP3 24 14.179 10.324 4.737 1.00 0.00 WT2 H ATOM 26938 OH2 TIP3 25 1.649 2.434 -3.984 1.00 0.00 WT2 O ATOM 26939 H1 TIP3 25 -12.034 19.791 2.402 1.00 0.00 WT2 H ATOM 26940 H2 TIP3 25 1.541 -11.483 -2.846 1.00 0.00 WT2 H ATOM 26941 OH2 TIP3 27 -3.968 -0.338 4.705 1.00 0.00 WT2 O ATOM 26942 H1 TIP3 27 2.125 3.957 7.601 1.00 0.00 WT2 H ATOM 26943 H2 TIP3 27 -12.823 -3.710 0.311 1.00 0.00 WT2 H ATOM 26944 OH2 TIP3 28 -2.477 0.307 3.102 1.00 0.00 WT2 O ATOM 26945 H1 TIP3 28 3.550 -2.578 1.241 1.00 0.00 WT2 H ATOM 26946 H2 TIP3 28 6.941 16.451 -10.128 1.00 0.00 WT2 H ATOM 26947 OH2 TIP3 29 -3.946 0.245 6.151 1.00 0.00 WT2 O ATOM 26948 H1 TIP3 29 0.029 -1.857 11.541 1.00 0.00 WT2 H ATOM 26949 H2 TIP3 29 3.781 34.299 3.574 1.00 0.00 WT2 H ATOM 26950 OH2 TIP3 31 2.043 -4.601 -3.106 1.00 0.00 WT2 O ATOM 26951 H1 TIP3 31 -21.847 -2.002 -1.684 1.00 0.00 WT2 H ATOM 26952 H2 TIP3 31 -12.119 -2.795 0.252 1.00 0.00 WT2 H ATOM 26953 OH2 TIP3 36 2.556 -3.064 -2.010 1.00 0.00 WT2 O ATOM 26954 H1 TIP3 36 11.340 0.884 -7.503 1.00 0.00 WT2 H ATOM 26955 H2 TIP3 36 5.554 -0.722 8.469 1.00 0.00 WT2 H ATOM 26956 OH2 TIP3 40 1.809 -1.941 -3.064 1.00 0.00 WT2 O ATOM 26957 H1 TIP3 40 -5.583 -17.646 -0.352 1.00 0.00 WT2 H ATOM 26958 H2 TIP3 40 9.599 -4.897 -21.003 1.00 0.00 WT2 H ATOM 26959 OH2 TIP3 43 2.373 2.307 -0.049 1.00 0.00 WT2 O ATOM 26960 H1 TIP3 43 -20.541 -7.974 15.932 1.00 0.00 WT2 H ATOM 26961 H2 TIP3 43 4.233 -15.895 -5.423 1.00 0.00 WT2 H ATOM 26962 OH2 TIP3 44 -3.656 -2.581 -6.061 1.00 0.00 WT2 O ATOM 26963 H1 TIP3 44 8.144 -3.628 -22.943 1.00 0.00 WT2 H ATOM 26964 H2 TIP3 44 0.340 -9.046 8.372 1.00 0.00 WT2 H ATOM 26965 OH2 TIP3 46 2.853 -8.769 2.836 1.00 0.00 WT2 O ATOM 26966 H1 TIP3 46 4.796 -9.856 5.332 1.00 0.00 WT2 H ATOM 26967 H2 TIP3 46 5.175 -9.370 10.073 1.00 0.00 WT2 H ATOM 26968 OH2 TIP3 47 0.490 1.809 -1.647 1.00 0.00 WT2 O ATOM 26969 H1 TIP3 47 14.328 -16.613 -14.076 1.00 0.00 WT2 H ATOM 26970 H2 TIP3 47 10.466 -10.742 9.161 1.00 0.00 WT2 H ATOM 26971 OH2 TIP3 50 -8.222 1.244 -7.013 1.00 0.00 WT2 O ATOM 26972 H1 TIP3 50 -6.689 9.037 8.780 1.00 0.00 WT2 H ATOM 26973 H2 TIP3 50 -6.873 1.570 -7.745 1.00 0.00 WT2 H ATOM 26974 OH2 TIP3 64 0.257 4.861 -0.934 1.00 0.00 WT2 O ATOM 26975 H1 TIP3 64 1.168 3.474 13.194 1.00 0.00 WT2 H ATOM 26976 H2 TIP3 64 14.910 -22.117 -29.307 1.00 0.00 WT2 H ATOM 26977 OH2 TIP3 65 -3.275 -1.680 1.985 1.00 0.00 WT2 O ATOM 26978 H1 TIP3 65 -0.842 -1.968 3.432 1.00 0.00 WT2 H ATOM 26979 H2 TIP3 65 4.165 15.533 0.883 1.00 0.00 WT2 H ATOM 26980 OH2 TIP3 66 4.202 -3.434 -3.415 1.00 0.00 WT2 O ATOM 26981 H1 TIP3 66 -6.038 -23.670 -1.002 1.00 0.00 WT2 H ATOM 26982 H2 TIP3 66 -11.804 -18.369 -9.252 1.00 0.00 WT2 H ATOM 26983 OH2 TIP3 67 -2.111 -0.213 -5.319 1.00 0.00 WT2 O ATOM 26984 H1 TIP3 67 9.387 -1.278 11.904 1.00 0.00 WT2 H ATOM 26985 H2 TIP3 67 1.493 1.994 -2.833 1.00 0.00 WT2 H ATOM 26986 OH2 TIP3 68 -2.207 -0.341 0.572 1.00 0.00 WT2 O ATOM 26987 H1 TIP3 68 -9.870 6.510 7.701 1.00 0.00 WT2 H ATOM 26988 H2 TIP3 68 1.010 -4.966 0.324 1.00 0.00 WT2 H ATOM 26989 OH2 TIP3 69 0.920 0.983 6.751 1.00 0.00 WT2 O ATOM 26990 H1 TIP3 69 -7.064 10.360 -7.554 1.00 0.00 WT2 H ATOM 26991 H2 TIP3 69 11.985 13.028 16.226 1.00 0.00 WT2 H ATOM 26992 OH2 TIP3 70 -5.568 -3.172 -4.238 1.00 0.00 WT2 O ATOM 26993 H1 TIP3 70 0.950 3.536 -3.216 1.00 0.00 WT2 H ATOM 26994 H2 TIP3 70 -21.281 -19.638 -14.085 1.00 0.00 WT2 H ATOM 26995 OH2 TIP3 72 1.786 -4.695 -0.829 1.00 0.00 WT2 O ATOM 26996 H1 TIP3 72 0.813 -7.094 -0.088 1.00 0.00 WT2 H ATOM 26997 H2 TIP3 72 12.756 -1.803 30.896 1.00 0.00 WT2 H ATOM 26998 OH2 TIP3 73 4.137 -2.254 -1.396 1.00 0.00 WT2 O ATOM 26999 H1 TIP3 73 3.413 -8.254 -8.401 1.00 0.00 WT2 H ATOM 27000 H2 TIP3 73 5.213 8.621 16.362 1.00 0.00 WT2 H ATOM 27001 OH2 TIP3 83 7.562 -4.384 1.676 1.00 0.00 WT2 O ATOM 27002 H1 TIP3 83 13.086 -4.393 -23.682 1.00 0.00 WT2 H ATOM 27003 H2 TIP3 83 7.898 0.894 2.447 1.00 0.00 WT2 H ATOM 27004 OH2 TIP3 85 -0.866 -4.709 -0.212 1.00 0.00 WT2 O ATOM 27005 H1 TIP3 85 -10.477 5.579 -13.038 1.00 0.00 WT2 H ATOM 27006 H2 TIP3 85 16.371 -21.980 1.869 1.00 0.00 WT2 H ATOM 27007 OH2 TIP3 86 -2.528 -0.484 -2.749 1.00 0.00 WT2 O ATOM 27008 H1 TIP3 86 -8.605 7.796 -19.541 1.00 0.00 WT2 H ATOM 27009 H2 TIP3 86 -6.008 -17.516 8.630 1.00 0.00 WT2 H ATOM 27010 OH2 TIP3 87 0.014 -1.557 -3.105 1.00 0.00 WT2 O ATOM 27011 H1 TIP3 87 12.963 9.690 2.837 1.00 0.00 WT2 H ATOM 27012 H2 TIP3 87 -10.004 -8.508 -5.505 1.00 0.00 WT2 H ATOM 27013 OH2 TIP3 88 9.041 -0.967 -1.090 1.00 0.00 WT2 O ATOM 27014 H1 TIP3 88 -4.242 -11.689 6.622 1.00 0.00 WT2 H ATOM 27015 H2 TIP3 88 -3.908 -15.855 11.039 1.00 0.00 WT2 H ATOM 27016 OH2 TIP3 90 0.177 -4.503 0.200 1.00 0.00 WT2 O ATOM 27017 H1 TIP3 90 12.097 0.873 -8.964 1.00 0.00 WT2 H ATOM 27018 H2 TIP3 90 4.471 -0.775 -12.150 1.00 0.00 WT2 H ATOM 27019 OH2 TIP3 91 -3.293 1.621 -2.585 1.00 0.00 WT2 O ATOM 27020 H1 TIP3 91 -5.798 16.195 -9.500 1.00 0.00 WT2 H ATOM 27021 H2 TIP3 91 16.408 -13.411 -3.303 1.00 0.00 WT2 H ATOM 27022 OH2 TIP3 93 -0.259 -0.764 2.703 1.00 0.00 WT2 O ATOM 27023 H1 TIP3 93 0.087 13.887 9.990 1.00 0.00 WT2 H ATOM 27024 H2 TIP3 93 -16.468 -14.755 17.078 1.00 0.00 WT2 H ATOM 27025 OH2 TIP3 107 6.424 1.068 -7.651 1.00 0.00 WT2 O ATOM 27026 H1 TIP3 107 19.032 -5.839 -12.283 1.00 0.00 WT2 H ATOM 27027 H2 TIP3 107 1.824 2.592 3.113 1.00 0.00 WT2 H ATOM 27028 OH2 TIP3 108 -0.210 1.638 3.288 1.00 0.00 WT2 O ATOM 27029 H1 TIP3 108 10.813 -11.472 -1.145 1.00 0.00 WT2 H ATOM 27030 H2 TIP3 108 16.797 0.546 1.167 1.00 0.00 WT2 H ATOM 27031 OH2 TIP3 109 7.321 -4.288 -2.096 1.00 0.00 WT2 O ATOM 27032 H1 TIP3 109 -7.883 -1.115 -3.773 1.00 0.00 WT2 H ATOM 27033 H2 TIP3 109 25.878 -6.786 6.201 1.00 0.00 WT2 H ATOM 27034 OH2 TIP3 110 0.192 -1.373 -0.130 1.00 0.00 WT2 O ATOM 27035 H1 TIP3 110 24.836 -15.129 -3.381 1.00 0.00 WT2 H ATOM 27036 H2 TIP3 110 2.787 21.857 17.867 1.00 0.00 WT2 H ATOM 27037 OH2 TIP3 111 -5.712 2.061 0.790 1.00 0.00 WT2 O ATOM 27038 H1 TIP3 111 4.538 5.097 10.408 1.00 0.00 WT2 H ATOM 27039 H2 TIP3 111 3.746 -18.154 -17.937 1.00 0.00 WT2 H ATOM 27040 OH2 TIP3 112 3.680 -7.781 0.554 1.00 0.00 WT2 O ATOM 27041 H1 TIP3 112 9.627 -7.161 1.952 1.00 0.00 WT2 H ATOM 27042 H2 TIP3 112 4.260 -6.712 0.004 1.00 0.00 WT2 H ATOM 27043 OH2 TIP3 113 -3.052 -0.988 -3.975 1.00 0.00 WT2 O ATOM 27044 H1 TIP3 113 -11.045 2.475 -20.603 1.00 0.00 WT2 H ATOM 27045 H2 TIP3 113 -3.843 -0.290 -6.996 1.00 0.00 WT2 H ATOM 27046 OH2 TIP3 114 1.388 -1.730 -4.973 1.00 0.00 WT2 O ATOM 27047 H1 TIP3 114 2.174 -2.489 -3.647 1.00 0.00 WT2 H ATOM 27048 H2 TIP3 114 11.050 -9.652 14.682 1.00 0.00 WT2 H ATOM 27049 OH2 TIP3 125 -1.065 -0.725 1.446 1.00 0.00 WT2 O ATOM 27050 H1 TIP3 125 -4.020 -20.010 18.487 1.00 0.00 WT2 H ATOM 27051 H2 TIP3 125 -43.324 5.795 -27.237 1.00 0.00 WT2 H ATOM 27052 OH2 TIP3 129 0.596 -4.275 2.487 1.00 0.00 WT2 O ATOM 27053 H1 TIP3 129 -30.833 44.485 -21.820 1.00 0.00 WT2 H ATOM 27054 H2 TIP3 129 -8.282 12.716 -8.292 1.00 0.00 WT2 H ATOM 27055 OH2 TIP3 130 -2.130 -1.117 7.700 1.00 0.00 WT2 O ATOM 27056 H1 TIP3 130 -14.657 -2.174 19.823 1.00 0.00 WT2 H ATOM 27057 H2 TIP3 130 13.802 -7.194 10.810 1.00 0.00 WT2 H ATOM 27058 OH2 TIP3 132 -6.430 -1.367 -0.018 1.00 0.00 WT2 O ATOM 27059 H1 TIP3 132 -12.110 -6.340 -0.782 1.00 0.00 WT2 H ATOM 27060 H2 TIP3 132 -9.910 -9.704 -8.172 1.00 0.00 WT2 H ATOM 27061 OH2 TIP3 133 1.806 5.388 -0.509 1.00 0.00 WT2 O ATOM 27062 H1 TIP3 133 -5.776 -4.735 3.824 1.00 0.00 WT2 H ATOM 27063 H2 TIP3 133 -6.918 10.468 -7.003 1.00 0.00 WT2 H ATOM 27064 OH2 TIP3 144 -3.827 -9.885 3.414 1.00 0.00 WT2 O ATOM 27065 H1 TIP3 144 6.350 -12.496 18.378 1.00 0.00 WT2 H ATOM 27066 H2 TIP3 144 -19.897 -9.518 -1.098 1.00 0.00 WT2 H ATOM 27067 OH2 TIP3 145 -0.798 -3.356 4.445 1.00 0.00 WT2 O ATOM 27068 H1 TIP3 145 -2.807 11.900 -0.370 1.00 0.00 WT2 H ATOM 27069 H2 TIP3 145 -7.948 17.390 -4.711 1.00 0.00 WT2 H ATOM 27070 OH2 TIP3 146 4.922 -7.033 2.574 1.00 0.00 WT2 O ATOM 27071 H1 TIP3 146 -27.547 -0.970 10.855 1.00 0.00 WT2 H ATOM 27072 H2 TIP3 146 -32.201 -6.201 4.298 1.00 0.00 WT2 H ATOM 27073 OH2 TIP3 149 5.657 -4.587 -3.692 1.00 0.00 WT2 O ATOM 27074 H1 TIP3 149 -11.899 6.526 0.660 1.00 0.00 WT2 H ATOM 27075 H2 TIP3 149 24.855 18.882 -19.826 1.00 0.00 WT2 H ATOM 27076 OH2 TIP3 150 -3.215 -2.930 6.344 1.00 0.00 WT2 O ATOM 27077 H1 TIP3 150 18.252 -5.095 -4.235 1.00 0.00 WT2 H ATOM 27078 H2 TIP3 150 -1.394 11.270 0.197 1.00 0.00 WT2 H ATOM 27079 OH2 TIP3 151 2.369 5.244 -2.395 1.00 0.00 WT2 O ATOM 27080 H1 TIP3 151 14.680 -9.814 7.759 1.00 0.00 WT2 H ATOM 27081 H2 TIP3 151 5.254 1.227 -21.933 1.00 0.00 WT2 H ATOM 27082 OH2 TIP3 152 1.565 -0.976 3.670 1.00 0.00 WT2 O ATOM 27083 H1 TIP3 152 -21.206 -28.103 -7.639 1.00 0.00 WT2 H ATOM 27084 H2 TIP3 152 -6.615 7.816 20.990 1.00 0.00 WT2 H ATOM 27085 OH2 TIP3 154 9.185 -1.479 4.839 1.00 0.00 WT2 O ATOM 27086 H1 TIP3 154 8.753 -12.335 9.077 1.00 0.00 WT2 H ATOM 27087 H2 TIP3 154 -0.542 4.998 -7.496 1.00 0.00 WT2 H ATOM 27088 OH2 TIP3 167 0.915 -5.274 -4.344 1.00 0.00 WT2 O ATOM 27089 H1 TIP3 167 5.487 -3.020 -7.441 1.00 0.00 WT2 H ATOM 27090 H2 TIP3 167 3.410 -6.650 -4.472 1.00 0.00 WT2 H ATOM 27091 OH2 TIP3 170 -1.988 -5.212 -4.160 1.00 0.00 WT2 O ATOM 27092 H1 TIP3 170 10.304 10.551 4.174 1.00 0.00 WT2 H ATOM 27093 H2 TIP3 170 -0.747 3.911 -13.260 1.00 0.00 WT2 H ATOM 27094 OH2 TIP3 171 -1.378 -1.200 -2.098 1.00 0.00 WT2 O ATOM 27095 H1 TIP3 171 2.471 -4.054 1.118 1.00 0.00 WT2 H ATOM 27096 H2 TIP3 171 31.190 16.726 8.159 1.00 0.00 WT2 H ATOM 27097 OH2 TIP3 173 -3.347 -0.534 1.211 1.00 0.00 WT2 O ATOM 27098 H1 TIP3 173 10.359 -20.815 -14.448 1.00 0.00 WT2 H ATOM 27099 H2 TIP3 173 7.912 25.413 -2.254 1.00 0.00 WT2 H ATOM 27100 OH2 TIP3 174 8.625 -6.971 4.745 1.00 0.00 WT2 O ATOM 27101 H1 TIP3 174 -16.180 23.294 -17.818 1.00 0.00 WT2 H ATOM 27102 H2 TIP3 174 -9.677 13.168 -22.724 1.00 0.00 WT2 H ATOM 27103 OH2 TIP3 178 -6.928 0.442 -3.175 1.00 0.00 WT2 O ATOM 27104 H1 TIP3 178 -4.537 7.761 4.270 1.00 0.00 WT2 H ATOM 27105 H2 TIP3 178 4.079 1.230 5.377 1.00 0.00 WT2 H ATOM 27106 OH2 TIP3 189 2.485 0.691 -5.844 1.00 0.00 WT2 O ATOM 27107 H1 TIP3 189 -3.098 -1.220 -5.928 1.00 0.00 WT2 H ATOM 27108 H2 TIP3 189 3.512 7.683 -4.506 1.00 0.00 WT2 H ATOM 27109 OH2 TIP3 190 -6.456 -4.893 -2.437 1.00 0.00 WT2 O ATOM 27110 H1 TIP3 190 2.169 -0.663 2.459 1.00 0.00 WT2 H ATOM 27111 H2 TIP3 190 5.702 -7.260 -2.250 1.00 0.00 WT2 H ATOM 27112 OH2 TIP3 191 2.732 3.630 -2.275 1.00 0.00 WT2 O ATOM 27113 H1 TIP3 191 12.681 7.282 0.340 1.00 0.00 WT2 H ATOM 27114 H2 TIP3 191 -0.371 -2.411 -22.961 1.00 0.00 WT2 H ATOM 27115 OH2 TIP3 192 -6.352 -0.643 -2.498 1.00 0.00 WT2 O ATOM 27116 H1 TIP3 192 -28.384 -8.400 -27.443 1.00 0.00 WT2 H ATOM 27117 H2 TIP3 192 12.396 18.291 35.523 1.00 0.00 WT2 H ATOM 27118 OH2 TIP3 193 -1.217 -1.676 7.973 1.00 0.00 WT2 O ATOM 27119 H1 TIP3 193 2.054 1.463 -4.788 1.00 0.00 WT2 H ATOM 27120 H2 TIP3 193 -2.503 1.065 23.975 1.00 0.00 WT2 H ATOM 27121 OH2 TIP3 195 1.497 -9.618 -1.963 1.00 0.00 WT2 O ATOM 27122 H1 TIP3 195 -3.545 -21.402 10.907 1.00 0.00 WT2 H ATOM 27123 H2 TIP3 195 3.907 -1.925 -12.570 1.00 0.00 WT2 H ATOM 27124 OH2 TIP3 196 -4.675 -1.034 3.089 1.00 0.00 WT2 O ATOM 27125 H1 TIP3 196 -12.590 5.543 8.633 1.00 0.00 WT2 H ATOM 27126 H2 TIP3 196 -15.759 4.518 -5.564 1.00 0.00 WT2 H ATOM 27127 OH2 TIP3 199 -2.490 -1.821 5.810 1.00 0.00 WT2 O ATOM 27128 H1 TIP3 199 -17.335 -6.928 1.393 1.00 0.00 WT2 H ATOM 27129 H2 TIP3 199 -0.920 13.747 0.212 1.00 0.00 WT2 H ATOM 27130 OH2 TIP3 212 1.820 1.259 -8.370 1.00 0.00 WT2 O ATOM 27131 H1 TIP3 212 -0.110 1.113 -12.803 1.00 0.00 WT2 H ATOM 27132 H2 TIP3 212 0.217 0.889 -11.543 1.00 0.00 WT2 H ATOM 27133 OH2 TIP3 214 1.264 -2.781 -0.063 1.00 0.00 WT2 O ATOM 27134 H1 TIP3 214 -1.379 3.089 -0.802 1.00 0.00 WT2 H ATOM 27135 H2 TIP3 214 16.779 -4.875 -21.967 1.00 0.00 WT2 H ATOM 27136 OH2 TIP3 217 -4.277 -1.708 -3.320 1.00 0.00 WT2 O ATOM 27137 H1 TIP3 217 1.012 7.660 -3.817 1.00 0.00 WT2 H ATOM 27138 H2 TIP3 217 -6.680 -1.907 -2.169 1.00 0.00 WT2 H ATOM 27139 OH2 TIP3 233 -1.353 0.789 -2.384 1.00 0.00 WT2 O ATOM 27140 H1 TIP3 233 -19.443 -2.991 25.899 1.00 0.00 WT2 H ATOM 27141 H2 TIP3 233 -1.247 -25.046 7.372 1.00 0.00 WT2 H ATOM 27142 OH2 TIP3 235 -1.293 0.861 1.890 1.00 0.00 WT2 O ATOM 27143 H1 TIP3 235 0.337 0.329 0.470 1.00 0.00 WT2 H ATOM 27144 H2 TIP3 235 -2.551 0.184 -10.061 1.00 0.00 WT2 H ATOM 27145 OH2 TIP3 236 -2.864 3.940 2.630 1.00 0.00 WT2 O ATOM 27146 H1 TIP3 236 -3.701 -7.204 12.808 1.00 0.00 WT2 H ATOM 27147 H2 TIP3 236 18.242 -24.548 -3.847 1.00 0.00 WT2 H ATOM 27148 OH2 TIP3 237 -2.142 2.510 10.430 1.00 0.00 WT2 O ATOM 27149 H1 TIP3 237 -1.413 -12.958 1.355 1.00 0.00 WT2 H ATOM 27150 H2 TIP3 237 -22.673 -4.230 0.828 1.00 0.00 WT2 H ATOM 27151 OH2 TIP3 239 2.250 0.683 3.255 1.00 0.00 WT2 O ATOM 27152 H1 TIP3 239 1.845 -8.370 5.964 1.00 0.00 WT2 H ATOM 27153 H2 TIP3 239 -9.166 1.976 15.163 1.00 0.00 WT2 H ATOM 27154 OH2 TIP3 244 -3.866 2.107 0.148 1.00 0.00 WT2 O ATOM 27155 H1 TIP3 244 -4.775 6.056 -2.119 1.00 0.00 WT2 H ATOM 27156 H2 TIP3 244 -35.140 -5.751 -12.398 1.00 0.00 WT2 H ATOM 27157 OH2 TIP3 252 -0.889 2.528 0.317 1.00 0.00 WT2 O ATOM 27158 H1 TIP3 252 1.163 -1.750 8.462 1.00 0.00 WT2 H ATOM 27159 H2 TIP3 252 6.560 -4.396 15.654 1.00 0.00 WT2 H ATOM 27160 OH2 TIP3 253 -3.702 5.197 -6.704 1.00 0.00 WT2 O ATOM 27161 H1 TIP3 253 -0.509 -5.588 -2.440 1.00 0.00 WT2 H ATOM 27162 H2 TIP3 253 -18.738 -1.485 -0.548 1.00 0.00 WT2 H ATOM 27163 OH2 TIP3 255 -4.290 -0.325 -0.246 1.00 0.00 WT2 O ATOM 27164 H1 TIP3 255 -6.397 -0.038 -7.398 1.00 0.00 WT2 H ATOM 27165 H2 TIP3 255 -12.378 1.594 3.984 1.00 0.00 WT2 H ATOM 27166 OH2 TIP3 256 -2.672 0.778 3.520 1.00 0.00 WT2 O ATOM 27167 H1 TIP3 256 -7.947 30.115 -14.774 1.00 0.00 WT2 H ATOM 27168 H2 TIP3 256 13.205 -2.556 0.473 1.00 0.00 WT2 H ATOM 27169 OH2 TIP3 257 -1.158 5.526 -10.901 1.00 0.00 WT2 O ATOM 27170 H1 TIP3 257 4.373 6.889 -6.745 1.00 0.00 WT2 H ATOM 27171 H2 TIP3 257 0.446 -10.830 -21.293 1.00 0.00 WT2 H ATOM 27172 OH2 TIP3 258 2.271 -7.490 -5.495 1.00 0.00 WT2 O ATOM 27173 H1 TIP3 258 0.440 -18.533 -10.871 1.00 0.00 WT2 H ATOM 27174 H2 TIP3 258 -5.696 -5.512 -3.270 1.00 0.00 WT2 H ATOM 27175 OH2 TIP3 260 -2.593 0.968 1.435 1.00 0.00 WT2 O ATOM 27176 H1 TIP3 260 2.294 -4.734 -13.120 1.00 0.00 WT2 H ATOM 27177 H2 TIP3 260 -7.191 11.097 16.232 1.00 0.00 WT2 H ATOM 27178 OH2 TIP3 262 6.872 2.450 2.680 1.00 0.00 WT2 O ATOM 27179 H1 TIP3 262 2.117 3.134 6.267 1.00 0.00 WT2 H ATOM 27180 H2 TIP3 262 8.694 11.077 -5.706 1.00 0.00 WT2 H ATOM 27181 OH2 TIP3 273 1.702 -0.651 -0.498 1.00 0.00 WT2 O ATOM 27182 H1 TIP3 273 21.233 -15.329 6.956 1.00 0.00 WT2 H ATOM 27183 H2 TIP3 273 -13.813 5.892 -3.917 1.00 0.00 WT2 H ATOM 27184 OH2 TIP3 278 3.793 -1.615 -0.891 1.00 0.00 WT2 O ATOM 27185 H1 TIP3 278 14.405 5.479 11.320 1.00 0.00 WT2 H ATOM 27186 H2 TIP3 278 -0.329 1.005 -11.013 1.00 0.00 WT2 H ATOM 27187 OH2 TIP3 279 -0.044 -4.326 -3.158 1.00 0.00 WT2 O ATOM 27188 H1 TIP3 279 8.566 -10.896 -12.451 1.00 0.00 WT2 H ATOM 27189 H2 TIP3 279 -3.442 2.402 -4.728 1.00 0.00 WT2 H ATOM 27190 OH2 TIP3 280 -6.744 -5.228 -8.414 1.00 0.00 WT2 O ATOM 27191 H1 TIP3 280 4.908 9.723 -24.109 1.00 0.00 WT2 H ATOM 27192 H2 TIP3 280 -13.566 -0.779 8.829 1.00 0.00 WT2 H ATOM 27193 OH2 TIP3 295 -0.221 -5.140 3.161 1.00 0.00 WT2 O ATOM 27194 H1 TIP3 295 4.625 -7.135 3.272 1.00 0.00 WT2 H ATOM 27195 H2 TIP3 295 0.473 16.349 5.298 1.00 0.00 WT2 H ATOM 27196 OH2 TIP3 296 4.240 -1.100 -5.565 1.00 0.00 WT2 O ATOM 27197 H1 TIP3 296 -3.507 6.130 -5.838 1.00 0.00 WT2 H ATOM 27198 H2 TIP3 296 -0.043 -12.981 -5.013 1.00 0.00 WT2 H ATOM 27199 OH2 TIP3 297 -1.149 -2.622 -0.144 1.00 0.00 WT2 O ATOM 27200 H1 TIP3 297 -2.033 -7.342 -1.232 1.00 0.00 WT2 H ATOM 27201 H2 TIP3 297 -1.421 0.641 12.892 1.00 0.00 WT2 H ATOM 27202 OH2 TIP3 299 -1.334 -4.691 -1.618 1.00 0.00 WT2 O ATOM 27203 H1 TIP3 299 -17.859 -2.174 6.310 1.00 0.00 WT2 H ATOM 27204 H2 TIP3 299 10.814 -8.304 11.355 1.00 0.00 WT2 H ATOM 27205 OH2 TIP3 300 -8.117 -4.269 -4.139 1.00 0.00 WT2 O ATOM 27206 H1 TIP3 300 6.977 13.101 -2.090 1.00 0.00 WT2 H ATOM 27207 H2 TIP3 300 -4.484 0.397 -7.725 1.00 0.00 WT2 H ATOM 27208 OH2 TIP3 301 -3.119 -6.409 10.255 1.00 0.00 WT2 O ATOM 27209 H1 TIP3 301 -31.957 0.312 19.803 1.00 0.00 WT2 H ATOM 27210 H2 TIP3 301 -6.023 0.367 3.949 1.00 0.00 WT2 H ATOM 27211 OH2 TIP3 302 1.777 2.058 2.331 1.00 0.00 WT2 O ATOM 27212 H1 TIP3 302 -4.356 -0.001 3.589 1.00 0.00 WT2 H ATOM 27213 H2 TIP3 302 18.474 1.568 -4.125 1.00 0.00 WT2 H ATOM 27214 OH2 TIP3 303 -1.468 6.315 7.453 1.00 0.00 WT2 O ATOM 27215 H1 TIP3 303 -0.638 6.363 18.196 1.00 0.00 WT2 H ATOM 27216 H2 TIP3 303 2.534 -12.980 17.550 1.00 0.00 WT2 H ATOM 27217 OH2 TIP3 315 -1.393 -5.743 -9.140 1.00 0.00 WT2 O ATOM 27218 H1 TIP3 315 0.918 -6.547 -8.386 1.00 0.00 WT2 H ATOM 27219 H2 TIP3 315 11.758 6.181 24.747 1.00 0.00 WT2 H ATOM 27220 OH2 TIP3 316 6.118 1.556 -1.945 1.00 0.00 WT2 O ATOM 27221 H1 TIP3 316 -21.141 -10.223 16.586 1.00 0.00 WT2 H ATOM 27222 H2 TIP3 316 30.579 -0.003 -8.939 1.00 0.00 WT2 H ATOM 27223 OH2 TIP3 317 0.599 -6.510 -3.215 1.00 0.00 WT2 O ATOM 27224 H1 TIP3 317 -4.597 -4.929 10.017 1.00 0.00 WT2 H ATOM 27225 H2 TIP3 317 -7.260 9.350 4.767 1.00 0.00 WT2 H ATOM 27226 OH2 TIP3 319 11.456 2.749 -3.078 1.00 0.00 WT2 O ATOM 27227 H1 TIP3 319 27.804 22.212 6.516 1.00 0.00 WT2 H ATOM 27228 H2 TIP3 319 6.904 0.078 1.386 1.00 0.00 WT2 H ATOM 27229 OH2 TIP3 320 -6.566 -6.842 0.094 1.00 0.00 WT2 O ATOM 27230 H1 TIP3 320 -12.067 6.606 -3.427 1.00 0.00 WT2 H ATOM 27231 H2 TIP3 320 -11.098 1.166 0.069 1.00 0.00 WT2 H ATOM 27232 OH2 TIP3 321 2.604 5.634 2.622 1.00 0.00 WT2 O ATOM 27233 H1 TIP3 321 -7.627 18.895 -5.582 1.00 0.00 WT2 H ATOM 27234 H2 TIP3 321 -5.473 4.505 -3.482 1.00 0.00 WT2 H ATOM 27235 OH2 TIP3 322 3.820 4.036 -3.969 1.00 0.00 WT2 O ATOM 27236 H1 TIP3 322 -10.521 -19.477 -2.233 1.00 0.00 WT2 H ATOM 27237 H2 TIP3 322 29.355 -13.946 6.593 1.00 0.00 WT2 H ATOM 27238 OH2 TIP3 334 -4.178 2.723 -3.295 1.00 0.00 WT2 O ATOM 27239 H1 TIP3 334 -25.734 -31.095 -1.774 1.00 0.00 WT2 H ATOM 27240 H2 TIP3 334 -3.649 -2.514 2.064 1.00 0.00 WT2 H ATOM 27241 OH2 TIP3 335 1.492 0.263 -2.351 1.00 0.00 WT2 O ATOM 27242 H1 TIP3 335 3.335 5.565 0.186 1.00 0.00 WT2 H ATOM 27243 H2 TIP3 335 3.291 4.740 -1.933 1.00 0.00 WT2 H ATOM 27244 OH2 TIP3 337 -2.073 -1.946 -4.042 1.00 0.00 WT2 O ATOM 27245 H1 TIP3 337 -19.133 1.181 -7.723 1.00 0.00 WT2 H ATOM 27246 H2 TIP3 337 8.852 9.102 -0.048 1.00 0.00 WT2 H ATOM 27247 OH2 TIP3 338 2.485 -3.889 -0.808 1.00 0.00 WT2 O ATOM 27248 H1 TIP3 338 -0.112 -1.698 -5.221 1.00 0.00 WT2 H ATOM 27249 H2 TIP3 338 5.444 -0.563 2.399 1.00 0.00 WT2 H ATOM 27250 OH2 TIP3 339 -2.831 -2.496 0.896 1.00 0.00 WT2 O ATOM 27251 H1 TIP3 339 1.724 -8.330 0.407 1.00 0.00 WT2 H ATOM 27252 H2 TIP3 339 0.515 9.691 9.403 1.00 0.00 WT2 H ATOM 27253 OH2 TIP3 340 2.260 -4.828 0.014 1.00 0.00 WT2 O ATOM 27254 H1 TIP3 340 -0.340 -6.696 15.226 1.00 0.00 WT2 H ATOM 27255 H2 TIP3 340 2.989 -5.007 -4.164 1.00 0.00 WT2 H ATOM 27256 OH2 TIP3 341 -1.967 -1.680 -1.313 1.00 0.00 WT2 O ATOM 27257 H1 TIP3 341 3.104 23.711 1.165 1.00 0.00 WT2 H ATOM 27258 H2 TIP3 341 18.775 -9.423 3.531 1.00 0.00 WT2 H ATOM 27259 OH2 TIP3 344 -1.559 -4.722 5.104 1.00 0.00 WT2 O ATOM 27260 H1 TIP3 344 -7.372 18.115 9.497 1.00 0.00 WT2 H ATOM 27261 H2 TIP3 344 -21.021 0.789 11.653 1.00 0.00 WT2 H ATOM 27262 OH2 TIP3 346 -3.659 6.004 2.003 1.00 0.00 WT2 O ATOM 27263 H1 TIP3 346 -7.764 4.341 7.301 1.00 0.00 WT2 H ATOM 27264 H2 TIP3 346 -3.779 11.407 0.080 1.00 0.00 WT2 H ATOM 27265 OH2 TIP3 361 4.167 0.402 1.734 1.00 0.00 WT2 O ATOM 27266 H1 TIP3 361 2.333 0.413 12.592 1.00 0.00 WT2 H ATOM 27267 H2 TIP3 361 20.915 -20.435 -3.206 1.00 0.00 WT2 H ATOM 27268 OH2 TIP3 362 -3.341 6.268 -11.482 1.00 0.00 WT2 O ATOM 27269 H1 TIP3 362 -13.790 -12.656 -6.998 1.00 0.00 WT2 H ATOM 27270 H2 TIP3 362 -14.405 11.723 -20.869 1.00 0.00 WT2 H ATOM 27271 OH2 TIP3 364 -2.317 -1.378 3.065 1.00 0.00 WT2 O ATOM 27272 H1 TIP3 364 -9.426 -8.341 -15.448 1.00 0.00 WT2 H ATOM 27273 H2 TIP3 364 -11.649 2.941 -8.681 1.00 0.00 WT2 H ATOM 27274 OH2 TIP3 375 -7.584 -4.102 -2.294 1.00 0.00 WT2 O ATOM 27275 H1 TIP3 375 -13.777 10.822 -14.147 1.00 0.00 WT2 H ATOM 27276 H2 TIP3 375 10.441 -7.575 -6.764 1.00 0.00 WT2 H ATOM 27277 OH2 TIP3 378 -4.306 -3.314 1.005 1.00 0.00 WT2 O ATOM 27278 H1 TIP3 378 -6.844 16.189 -28.147 1.00 0.00 WT2 H ATOM 27279 H2 TIP3 378 23.500 -24.198 -4.629 1.00 0.00 WT2 H ATOM 27280 OH2 TIP3 381 -2.335 -9.058 -2.363 1.00 0.00 WT2 O ATOM 27281 H1 TIP3 381 17.448 9.792 6.139 1.00 0.00 WT2 H ATOM 27282 H2 TIP3 381 -20.484 -16.829 10.256 1.00 0.00 WT2 H ATOM 27283 OH2 TIP3 383 1.653 -5.576 2.175 1.00 0.00 WT2 O ATOM 27284 H1 TIP3 383 2.566 7.251 8.179 1.00 0.00 WT2 H ATOM 27285 H2 TIP3 383 27.302 4.450 -32.100 1.00 0.00 WT2 H ATOM 27286 OH2 TIP3 384 0.371 -6.582 1.482 1.00 0.00 WT2 O ATOM 27287 H1 TIP3 384 -3.285 -8.523 -6.575 1.00 0.00 WT2 H ATOM 27288 H2 TIP3 384 -2.458 0.081 5.508 1.00 0.00 WT2 H ATOM 27289 OH2 TIP3 385 0.623 6.875 -1.506 1.00 0.00 WT2 O ATOM 27290 H1 TIP3 385 -15.782 8.842 10.324 1.00 0.00 WT2 H ATOM 27291 H2 TIP3 385 -22.717 10.823 20.013 1.00 0.00 WT2 H ATOM 27292 OH2 TIP3 387 -3.912 -2.849 0.877 1.00 0.00 WT2 O ATOM 27293 H1 TIP3 387 -3.426 -10.220 7.466 1.00 0.00 WT2 H ATOM 27294 H2 TIP3 387 -9.633 -8.020 14.503 1.00 0.00 WT2 H ATOM 27295 OH2 TIP3 392 -10.049 4.555 -1.832 1.00 0.00 WT2 O ATOM 27296 H1 TIP3 392 -11.704 -10.638 2.969 1.00 0.00 WT2 H ATOM 27297 H2 TIP3 392 -6.122 11.982 12.218 1.00 0.00 WT2 H ATOM 27298 OH2 TIP3 398 2.191 3.940 -2.059 1.00 0.00 WT2 O ATOM 27299 H1 TIP3 398 0.386 5.904 2.688 1.00 0.00 WT2 H ATOM 27300 H2 TIP3 398 0.832 5.727 0.820 1.00 0.00 WT2 H ATOM 27301 OH2 TIP3 401 4.522 6.544 7.444 1.00 0.00 WT2 O ATOM 27302 H1 TIP3 401 -5.607 -18.652 -21.479 1.00 0.00 WT2 H ATOM 27303 H2 TIP3 401 -11.048 10.869 -37.148 1.00 0.00 WT2 H ATOM 27304 OH2 TIP3 403 2.713 -2.955 -7.776 1.00 0.00 WT2 O ATOM 27305 H1 TIP3 403 2.996 -3.848 -16.302 1.00 0.00 WT2 H ATOM 27306 H2 TIP3 403 1.128 4.588 -7.132 1.00 0.00 WT2 H ATOM 27307 OH2 TIP3 404 3.049 3.801 -2.812 1.00 0.00 WT2 O ATOM 27308 H1 TIP3 404 -6.030 22.521 14.508 1.00 0.00 WT2 H ATOM 27309 H2 TIP3 404 -2.010 26.929 7.741 1.00 0.00 WT2 H ATOM 27310 OH2 TIP3 406 2.453 -1.294 -0.039 1.00 0.00 WT2 O ATOM 27311 H1 TIP3 406 5.080 -17.157 1.258 1.00 0.00 WT2 H ATOM 27312 H2 TIP3 406 1.335 16.944 -1.376 1.00 0.00 WT2 H ATOM 27313 OH2 TIP3 407 3.145 5.806 -2.975 1.00 0.00 WT2 O ATOM 27314 H1 TIP3 407 8.550 0.369 -8.524 1.00 0.00 WT2 H ATOM 27315 H2 TIP3 407 -1.135 0.754 1.264 1.00 0.00 WT2 H ATOM 27316 OH2 TIP3 416 -2.372 -0.909 -4.849 1.00 0.00 WT2 O ATOM 27317 H1 TIP3 416 -11.050 -1.612 0.913 1.00 0.00 WT2 H ATOM 27318 H2 TIP3 416 -0.195 -23.541 -3.971 1.00 0.00 WT2 H ATOM 27319 OH2 TIP3 420 5.541 -4.260 0.715 1.00 0.00 WT2 O ATOM 27320 H1 TIP3 420 -11.514 -8.381 -6.305 1.00 0.00 WT2 H ATOM 27321 H2 TIP3 420 14.589 -0.822 6.068 1.00 0.00 WT2 H ATOM 27322 OH2 TIP3 424 -5.795 -2.314 7.552 1.00 0.00 WT2 O ATOM 27323 H1 TIP3 424 8.450 -2.710 7.211 1.00 0.00 WT2 H ATOM 27324 H2 TIP3 424 -10.580 10.717 -11.240 1.00 0.00 WT2 H ATOM 27325 OH2 TIP3 425 1.002 2.092 -0.565 1.00 0.00 WT2 O ATOM 27326 H1 TIP3 425 -5.166 5.839 16.747 1.00 0.00 WT2 H ATOM 27327 H2 TIP3 425 -19.030 7.980 10.986 1.00 0.00 WT2 H ATOM 27328 OH2 TIP3 426 2.644 2.692 2.940 1.00 0.00 WT2 O ATOM 27329 H1 TIP3 426 -14.756 -9.999 -24.280 1.00 0.00 WT2 H ATOM 27330 H2 TIP3 426 12.442 3.000 12.357 1.00 0.00 WT2 H ATOM 27331 OH2 TIP3 427 -2.123 0.690 -3.765 1.00 0.00 WT2 O ATOM 27332 H1 TIP3 427 -9.515 4.045 -17.168 1.00 0.00 WT2 H ATOM 27333 H2 TIP3 427 -2.600 -15.181 -5.656 1.00 0.00 WT2 H ATOM 27334 OH2 TIP3 430 4.503 2.394 1.122 1.00 0.00 WT2 O ATOM 27335 H1 TIP3 430 3.748 -21.308 9.570 1.00 0.00 WT2 H ATOM 27336 H2 TIP3 430 2.064 -2.224 -6.648 1.00 0.00 WT2 H ATOM 27337 OH2 TIP3 439 0.806 -5.328 4.892 1.00 0.00 WT2 O ATOM 27338 H1 TIP3 439 4.150 -15.297 16.057 1.00 0.00 WT2 H ATOM 27339 H2 TIP3 439 11.107 -7.109 28.726 1.00 0.00 WT2 H ATOM 27340 OH2 TIP3 443 -1.248 1.261 1.629 1.00 0.00 WT2 O ATOM 27341 H1 TIP3 443 -5.697 5.801 12.232 1.00 0.00 WT2 H ATOM 27342 H2 TIP3 443 3.838 -6.604 16.437 1.00 0.00 WT2 H ATOM 27343 OH2 TIP3 444 -2.782 0.595 0.890 1.00 0.00 WT2 O ATOM 27344 H1 TIP3 444 -26.203 0.933 -1.007 1.00 0.00 WT2 H ATOM 27345 H2 TIP3 444 -3.287 5.126 -12.262 1.00 0.00 WT2 H ATOM 27346 OH2 TIP3 445 2.687 1.867 -5.979 1.00 0.00 WT2 O ATOM 27347 H1 TIP3 445 8.413 23.089 -16.194 1.00 0.00 WT2 H ATOM 27348 H2 TIP3 445 -3.891 -23.908 20.815 1.00 0.00 WT2 H ATOM 27349 OH2 TIP3 446 5.607 5.334 -0.588 1.00 0.00 WT2 O ATOM 27350 H1 TIP3 446 -0.518 0.319 0.188 1.00 0.00 WT2 H ATOM 27351 H2 TIP3 446 8.814 -3.647 -2.693 1.00 0.00 WT2 H ATOM 27352 OH2 TIP3 447 -1.996 2.715 -3.336 1.00 0.00 WT2 O ATOM 27353 H1 TIP3 447 5.313 14.144 11.426 1.00 0.00 WT2 H ATOM 27354 H2 TIP3 447 -8.462 15.522 0.565 1.00 0.00 WT2 H ATOM 27355 OH2 TIP3 450 -5.348 -4.058 1.213 1.00 0.00 WT2 O ATOM 27356 H1 TIP3 450 16.101 -22.896 2.683 1.00 0.00 WT2 H ATOM 27357 H2 TIP3 450 4.725 17.249 -1.287 1.00 0.00 WT2 H ATOM 27358 OH2 TIP3 460 5.274 -9.901 -3.586 1.00 0.00 WT2 O ATOM 27359 H1 TIP3 460 -16.500 3.250 -0.169 1.00 0.00 WT2 H ATOM 27360 H2 TIP3 460 6.722 -23.984 3.213 1.00 0.00 WT2 H ATOM 27361 OH2 TIP3 465 -6.113 -0.515 -0.306 1.00 0.00 WT2 O ATOM 27362 H1 TIP3 465 7.127 -4.664 -2.033 1.00 0.00 WT2 H ATOM 27363 H2 TIP3 465 15.584 -10.140 -2.925 1.00 0.00 WT2 H ATOM 27364 OH2 TIP3 466 7.370 0.781 -4.302 1.00 0.00 WT2 O ATOM 27365 H1 TIP3 466 10.902 3.764 11.210 1.00 0.00 WT2 H ATOM 27366 H2 TIP3 466 -2.763 9.278 -10.105 1.00 0.00 WT2 H ATOM 27367 OH2 TIP3 467 -7.934 -4.529 -0.370 1.00 0.00 WT2 O ATOM 27368 H1 TIP3 467 -9.770 -15.305 -0.596 1.00 0.00 WT2 H ATOM 27369 H2 TIP3 467 8.609 -0.382 -4.159 1.00 0.00 WT2 H ATOM 27370 OH2 TIP3 468 7.851 8.113 1.819 1.00 0.00 WT2 O ATOM 27371 H1 TIP3 468 -18.551 4.026 -13.805 1.00 0.00 WT2 H ATOM 27372 H2 TIP3 468 23.081 13.745 10.570 1.00 0.00 WT2 H ATOM 27373 OH2 TIP3 469 -5.297 10.360 -2.645 1.00 0.00 WT2 O ATOM 27374 H1 TIP3 469 -5.964 -13.070 -16.078 1.00 0.00 WT2 H ATOM 27375 H2 TIP3 469 5.306 -8.747 24.837 1.00 0.00 WT2 H ATOM 27376 OH2 TIP3 470 -2.012 -0.036 -1.353 1.00 0.00 WT2 O ATOM 27377 H1 TIP3 470 -15.081 -3.279 5.152 1.00 0.00 WT2 H ATOM 27378 H2 TIP3 470 -2.787 12.806 12.286 1.00 0.00 WT2 H ATOM 27379 OH2 TIP3 472 7.427 -4.782 0.506 1.00 0.00 WT2 O ATOM 27380 H1 TIP3 472 15.495 -12.533 -20.511 1.00 0.00 WT2 H ATOM 27381 H2 TIP3 472 -1.192 -19.939 5.797 1.00 0.00 WT2 H ATOM 27382 OH2 TIP3 478 -0.164 0.803 -1.030 1.00 0.00 WT2 O ATOM 27383 H1 TIP3 478 -2.980 2.618 3.530 1.00 0.00 WT2 H ATOM 27384 H2 TIP3 478 -9.035 7.654 12.782 1.00 0.00 WT2 H ATOM 27385 OH2 TIP3 483 1.192 -2.148 -1.359 1.00 0.00 WT2 O ATOM 27386 H1 TIP3 483 -2.283 -25.160 11.278 1.00 0.00 WT2 H ATOM 27387 H2 TIP3 483 -22.295 -1.253 -20.017 1.00 0.00 WT2 H ATOM 27388 OH2 TIP3 484 -4.640 10.727 2.652 1.00 0.00 WT2 O ATOM 27389 H1 TIP3 484 -12.294 4.537 -10.563 1.00 0.00 WT2 H ATOM 27390 H2 TIP3 484 -0.755 2.425 19.452 1.00 0.00 WT2 H ATOM 27391 OH2 TIP3 485 5.515 3.410 2.906 1.00 0.00 WT2 O ATOM 27392 H1 TIP3 485 8.552 5.583 -8.027 1.00 0.00 WT2 H ATOM 27393 H2 TIP3 485 -30.097 30.768 4.974 1.00 0.00 WT2 H ATOM 27394 OH2 TIP3 486 -3.674 1.796 -3.068 1.00 0.00 WT2 O ATOM 27395 H1 TIP3 486 0.667 16.566 2.639 1.00 0.00 WT2 H ATOM 27396 H2 TIP3 486 1.002 32.924 -9.188 1.00 0.00 WT2 H ATOM 27397 OH2 TIP3 488 4.326 3.225 2.541 1.00 0.00 WT2 O ATOM 27398 H1 TIP3 488 -1.570 3.553 1.466 1.00 0.00 WT2 H ATOM 27399 H2 TIP3 488 17.767 20.758 17.231 1.00 0.00 WT2 H ATOM 27400 OH2 TIP3 489 2.815 -3.647 3.502 1.00 0.00 WT2 O ATOM 27401 H1 TIP3 489 -13.293 -2.631 7.293 1.00 0.00 WT2 H ATOM 27402 H2 TIP3 489 2.221 8.023 10.549 1.00 0.00 WT2 H ATOM 27403 OH2 TIP3 492 4.404 4.416 3.341 1.00 0.00 WT2 O ATOM 27404 H1 TIP3 492 -6.063 3.300 0.374 1.00 0.00 WT2 H ATOM 27405 H2 TIP3 492 -4.374 -2.554 14.496 1.00 0.00 WT2 H ATOM 27406 OH2 TIP3 503 1.094 -0.326 0.840 1.00 0.00 WT2 O ATOM 27407 H1 TIP3 503 3.996 20.647 0.620 1.00 0.00 WT2 H ATOM 27408 H2 TIP3 503 1.491 4.437 0.951 1.00 0.00 WT2 H ATOM 27409 OH2 TIP3 506 -4.190 2.749 -1.012 1.00 0.00 WT2 O ATOM 27410 H1 TIP3 506 0.503 3.442 10.360 1.00 0.00 WT2 H ATOM 27411 H2 TIP3 506 -1.341 2.412 4.543 1.00 0.00 WT2 H ATOM 27412 OH2 TIP3 507 4.684 0.331 4.173 1.00 0.00 WT2 O ATOM 27413 H1 TIP3 507 13.321 14.000 0.078 1.00 0.00 WT2 H ATOM 27414 H2 TIP3 507 10.984 -0.251 4.311 1.00 0.00 WT2 H ATOM 27415 OH2 TIP3 508 -5.725 1.548 -1.989 1.00 0.00 WT2 O ATOM 27416 H1 TIP3 508 -1.638 -1.062 -36.567 1.00 0.00 WT2 H ATOM 27417 H2 TIP3 508 14.254 28.037 24.169 1.00 0.00 WT2 H ATOM 27418 OH2 TIP3 509 4.804 -5.304 5.892 1.00 0.00 WT2 O ATOM 27419 H1 TIP3 509 8.233 -10.362 4.095 1.00 0.00 WT2 H ATOM 27420 H2 TIP3 509 8.896 -25.426 -3.236 1.00 0.00 WT2 H ATOM 27421 OH2 TIP3 511 1.104 -3.209 1.358 1.00 0.00 WT2 O ATOM 27422 H1 TIP3 511 -1.763 -6.862 2.857 1.00 0.00 WT2 H ATOM 27423 H2 TIP3 511 17.135 7.900 -3.475 1.00 0.00 WT2 H ATOM 27424 OH2 TIP3 512 3.920 -0.270 -0.744 1.00 0.00 WT2 O ATOM 27425 H1 TIP3 512 6.572 -16.751 -13.184 1.00 0.00 WT2 H ATOM 27426 H2 TIP3 512 -6.213 -23.329 14.289 1.00 0.00 WT2 H ATOM 27427 OH2 TIP3 513 11.783 -0.585 4.025 1.00 0.00 WT2 O ATOM 27428 H1 TIP3 513 2.320 -24.729 4.630 1.00 0.00 WT2 H ATOM 27429 H2 TIP3 513 -9.282 -17.363 21.105 1.00 0.00 WT2 H ATOM 27430 OH2 TIP3 517 -1.750 2.756 -1.502 1.00 0.00 WT2 O ATOM 27431 H1 TIP3 517 -21.301 15.617 -5.857 1.00 0.00 WT2 H ATOM 27432 H2 TIP3 517 -0.405 -5.702 -19.736 1.00 0.00 WT2 H ATOM 27433 OH2 TIP3 528 -1.144 -5.506 -6.828 1.00 0.00 WT2 O ATOM 27434 H1 TIP3 528 9.118 -2.119 -7.256 1.00 0.00 WT2 H ATOM 27435 H2 TIP3 528 -9.624 -4.020 -3.549 1.00 0.00 WT2 H ATOM 27436 OH2 TIP3 529 1.589 2.790 1.517 1.00 0.00 WT2 O ATOM 27437 H1 TIP3 529 -1.718 -15.319 10.915 1.00 0.00 WT2 H ATOM 27438 H2 TIP3 529 2.283 2.237 0.465 1.00 0.00 WT2 H ATOM 27439 OH2 TIP3 530 6.598 0.300 5.570 1.00 0.00 WT2 O ATOM 27440 H1 TIP3 530 13.111 -2.014 19.033 1.00 0.00 WT2 H ATOM 27441 H2 TIP3 530 16.925 -5.681 -4.435 1.00 0.00 WT2 H ATOM 27442 OH2 TIP3 532 3.406 2.533 -1.841 1.00 0.00 WT2 O ATOM 27443 H1 TIP3 532 2.362 8.581 11.214 1.00 0.00 WT2 H ATOM 27444 H2 TIP3 532 -4.912 11.122 -8.920 1.00 0.00 WT2 H ATOM 27445 OH2 TIP3 533 -4.277 1.237 3.415 1.00 0.00 WT2 O ATOM 27446 H1 TIP3 533 -13.023 32.467 -11.990 1.00 0.00 WT2 H ATOM 27447 H2 TIP3 533 27.508 -26.184 -15.827 1.00 0.00 WT2 H ATOM 27448 OH2 TIP3 535 -3.174 2.368 0.347 1.00 0.00 WT2 O ATOM 27449 H1 TIP3 535 15.247 1.516 -21.451 1.00 0.00 WT2 H ATOM 27450 H2 TIP3 535 0.357 -11.440 -15.141 1.00 0.00 WT2 H ATOM 27451 OH2 TIP3 543 -0.714 -4.842 2.855 1.00 0.00 WT2 O ATOM 27452 H1 TIP3 543 -2.666 -11.778 3.060 1.00 0.00 WT2 H ATOM 27453 H2 TIP3 543 -5.074 9.614 -25.866 1.00 0.00 WT2 H ATOM 27454 OH2 TIP3 547 2.205 0.493 5.750 1.00 0.00 WT2 O ATOM 27455 H1 TIP3 547 1.716 -5.983 1.681 1.00 0.00 WT2 H ATOM 27456 H2 TIP3 547 19.676 1.668 23.100 1.00 0.00 WT2 H ATOM 27457 OH2 TIP3 549 -4.558 -4.376 -0.885 1.00 0.00 WT2 O ATOM 27458 H1 TIP3 549 -21.798 19.009 -2.709 1.00 0.00 WT2 H ATOM 27459 H2 TIP3 549 0.416 -24.531 -10.524 1.00 0.00 WT2 H ATOM 27460 OH2 TIP3 550 -1.120 -1.275 -1.412 1.00 0.00 WT2 O ATOM 27461 H1 TIP3 550 -7.952 12.145 8.156 1.00 0.00 WT2 H ATOM 27462 H2 TIP3 550 -9.543 -14.784 6.717 1.00 0.00 WT2 H ATOM 27463 OH2 TIP3 551 0.146 -3.843 -2.708 1.00 0.00 WT2 O ATOM 27464 H1 TIP3 551 9.266 8.576 -6.301 1.00 0.00 WT2 H ATOM 27465 H2 TIP3 551 -14.358 3.327 5.275 1.00 0.00 WT2 H ATOM 27466 OH2 TIP3 554 -0.846 -4.972 -0.662 1.00 0.00 WT2 O ATOM 27467 H1 TIP3 554 -4.439 1.023 -6.183 1.00 0.00 WT2 H ATOM 27468 H2 TIP3 554 -7.445 -8.075 -0.417 1.00 0.00 WT2 H ATOM 27469 OH2 TIP3 558 -0.561 0.222 -1.322 1.00 0.00 WT2 O ATOM 27470 H1 TIP3 558 -3.626 -15.305 27.663 1.00 0.00 WT2 H ATOM 27471 H2 TIP3 558 -18.197 -7.127 19.820 1.00 0.00 WT2 H ATOM 27472 OH2 TIP3 562 1.204 3.590 5.940 1.00 0.00 WT2 O ATOM 27473 H1 TIP3 562 -14.680 16.075 15.939 1.00 0.00 WT2 H ATOM 27474 H2 TIP3 562 12.900 -0.632 -13.091 1.00 0.00 WT2 H ATOM 27475 OH2 TIP3 568 0.418 -3.264 1.676 1.00 0.00 WT2 O ATOM 27476 H1 TIP3 568 -10.267 2.402 -9.122 1.00 0.00 WT2 H ATOM 27477 H2 TIP3 568 13.900 -1.987 -2.603 1.00 0.00 WT2 H ATOM 27478 OH2 TIP3 570 -2.176 0.960 -7.005 1.00 0.00 WT2 O ATOM 27479 H1 TIP3 570 -16.178 -35.063 18.362 1.00 0.00 WT2 H ATOM 27480 H2 TIP3 570 -3.432 0.632 7.190 1.00 0.00 WT2 H ATOM 27481 OH2 TIP3 572 -0.836 4.633 -2.177 1.00 0.00 WT2 O ATOM 27482 H1 TIP3 572 12.882 2.272 13.708 1.00 0.00 WT2 H ATOM 27483 H2 TIP3 572 -21.723 -0.678 2.194 1.00 0.00 WT2 H ATOM 27484 OH2 TIP3 573 2.104 1.392 1.817 1.00 0.00 WT2 O ATOM 27485 H1 TIP3 573 -11.526 7.090 -24.488 1.00 0.00 WT2 H ATOM 27486 H2 TIP3 573 -2.484 1.297 -2.850 1.00 0.00 WT2 H ATOM 27487 OH2 TIP3 574 -0.780 2.234 -4.819 1.00 0.00 WT2 O ATOM 27488 H1 TIP3 574 9.207 8.515 8.437 1.00 0.00 WT2 H ATOM 27489 H2 TIP3 574 -5.748 -10.882 -1.949 1.00 0.00 WT2 H ATOM 27490 OH2 TIP3 575 -2.459 -3.251 -0.240 1.00 0.00 WT2 O ATOM 27491 H1 TIP3 575 1.547 -3.165 -7.312 1.00 0.00 WT2 H ATOM 27492 H2 TIP3 575 4.245 -3.868 -10.409 1.00 0.00 WT2 H ATOM 27493 OH2 TIP3 584 1.114 0.532 7.352 1.00 0.00 WT2 O ATOM 27494 H1 TIP3 584 -17.367 0.118 -4.290 1.00 0.00 WT2 H ATOM 27495 H2 TIP3 584 -4.564 4.793 -1.885 1.00 0.00 WT2 H ATOM 27496 OH2 TIP3 588 -4.123 1.813 4.186 1.00 0.00 WT2 O ATOM 27497 H1 TIP3 588 14.402 2.131 -12.781 1.00 0.00 WT2 H ATOM 27498 H2 TIP3 588 13.664 -2.614 1.576 1.00 0.00 WT2 H ATOM 27499 OH2 TIP3 591 -6.255 1.231 -4.064 1.00 0.00 WT2 O ATOM 27500 H1 TIP3 591 -4.588 9.972 -18.123 1.00 0.00 WT2 H ATOM 27501 H2 TIP3 591 -12.828 0.831 7.782 1.00 0.00 WT2 H ATOM 27502 OH2 TIP3 592 1.238 4.764 -1.477 1.00 0.00 WT2 O ATOM 27503 H1 TIP3 592 -16.931 0.810 -12.000 1.00 0.00 WT2 H ATOM 27504 H2 TIP3 592 -34.924 -10.025 17.178 1.00 0.00 WT2 H ATOM 27505 OH2 TIP3 593 -3.202 -2.808 0.797 1.00 0.00 WT2 O ATOM 27506 H1 TIP3 593 -8.208 9.530 0.610 1.00 0.00 WT2 H ATOM 27507 H2 TIP3 593 -3.004 8.740 -13.676 1.00 0.00 WT2 H ATOM 27508 OH2 TIP3 594 3.350 -2.595 5.091 1.00 0.00 WT2 O ATOM 27509 H1 TIP3 594 8.865 -6.610 1.042 1.00 0.00 WT2 H ATOM 27510 H2 TIP3 594 -18.353 4.292 -2.478 1.00 0.00 WT2 H ATOM 27511 OH2 TIP3 595 1.511 -0.220 1.266 1.00 0.00 WT2 O ATOM 27512 H1 TIP3 595 8.223 -10.143 -4.564 1.00 0.00 WT2 H ATOM 27513 H2 TIP3 595 37.300 10.606 -14.997 1.00 0.00 WT2 H ATOM 27514 OH2 TIP3 596 -1.402 1.994 -0.884 1.00 0.00 WT2 O ATOM 27515 H1 TIP3 596 24.205 -16.349 12.397 1.00 0.00 WT2 H ATOM 27516 H2 TIP3 596 1.651 7.961 -6.602 1.00 0.00 WT2 H ATOM 27517 OH2 TIP3 611 2.043 0.246 -1.336 1.00 0.00 WT2 O ATOM 27518 H1 TIP3 611 -19.307 -1.890 -21.134 1.00 0.00 WT2 H ATOM 27519 H2 TIP3 611 -9.661 -0.886 -11.492 1.00 0.00 WT2 H ATOM 27520 OH2 TIP3 612 6.108 8.265 -4.699 1.00 0.00 WT2 O ATOM 27521 H1 TIP3 612 1.458 10.954 1.378 1.00 0.00 WT2 H ATOM 27522 H2 TIP3 612 10.609 -13.422 -15.578 1.00 0.00 WT2 H ATOM 27523 OH2 TIP3 613 6.064 -7.265 2.994 1.00 0.00 WT2 O ATOM 27524 H1 TIP3 613 6.166 -5.344 12.745 1.00 0.00 WT2 H ATOM 27525 H2 TIP3 613 10.966 -31.332 14.746 1.00 0.00 WT2 H ATOM 27526 OH2 TIP3 616 3.051 -0.892 0.777 1.00 0.00 WT2 O ATOM 27527 H1 TIP3 616 11.869 -4.823 -9.823 1.00 0.00 WT2 H ATOM 27528 H2 TIP3 616 -10.911 -6.230 6.107 1.00 0.00 WT2 H ATOM 27529 OH2 TIP3 617 -1.330 4.996 3.641 1.00 0.00 WT2 O ATOM 27530 H1 TIP3 617 -5.270 22.491 7.816 1.00 0.00 WT2 H ATOM 27531 H2 TIP3 617 8.565 4.633 -1.316 1.00 0.00 WT2 H ATOM 27532 OH2 TIP3 619 -3.745 2.565 0.804 1.00 0.00 WT2 O ATOM 27533 H1 TIP3 619 -7.130 -11.023 -18.956 1.00 0.00 WT2 H ATOM 27534 H2 TIP3 619 -12.560 -1.795 14.605 1.00 0.00 WT2 H ATOM 27535 OH2 TIP3 632 -2.054 3.313 2.891 1.00 0.00 WT2 O ATOM 27536 H1 TIP3 632 3.678 -3.479 -7.960 1.00 0.00 WT2 H ATOM 27537 H2 TIP3 632 7.262 -6.430 -5.402 1.00 0.00 WT2 H ATOM 27538 OH2 TIP3 634 6.315 1.081 -2.331 1.00 0.00 WT2 O ATOM 27539 H1 TIP3 634 4.339 -9.788 -7.157 1.00 0.00 WT2 H ATOM 27540 H2 TIP3 634 14.307 1.797 8.558 1.00 0.00 WT2 H ATOM 27541 OH2 TIP3 635 5.139 -8.478 2.448 1.00 0.00 WT2 O ATOM 27542 H1 TIP3 635 0.345 3.699 10.696 1.00 0.00 WT2 H ATOM 27543 H2 TIP3 635 6.392 7.435 -10.429 1.00 0.00 WT2 H ATOM 27544 OH2 TIP3 638 -4.473 -3.487 1.475 1.00 0.00 WT2 O ATOM 27545 H1 TIP3 638 7.791 -9.215 7.415 1.00 0.00 WT2 H ATOM 27546 H2 TIP3 638 -6.659 -2.222 -4.627 1.00 0.00 WT2 H ATOM 27547 OH2 TIP3 640 0.662 -0.973 0.056 1.00 0.00 WT2 O ATOM 27548 H1 TIP3 640 -14.139 -0.047 15.423 1.00 0.00 WT2 H ATOM 27549 H2 TIP3 640 -5.886 6.479 -9.338 1.00 0.00 WT2 H ATOM 27550 OH2 TIP3 653 -2.006 2.992 2.067 1.00 0.00 WT2 O ATOM 27551 H1 TIP3 653 4.410 -7.206 -14.094 1.00 0.00 WT2 H ATOM 27552 H2 TIP3 653 9.026 10.203 3.051 1.00 0.00 WT2 H ATOM 27553 OH2 TIP3 654 0.915 6.649 6.996 1.00 0.00 WT2 O ATOM 27554 H1 TIP3 654 3.687 -10.694 5.291 1.00 0.00 WT2 H ATOM 27555 H2 TIP3 654 -4.962 14.556 -14.955 1.00 0.00 WT2 H ATOM 27556 OH2 TIP3 656 -3.035 0.168 -5.523 1.00 0.00 WT2 O ATOM 27557 H1 TIP3 656 6.259 19.908 13.296 1.00 0.00 WT2 H ATOM 27558 H2 TIP3 656 -0.419 -23.857 4.555 1.00 0.00 WT2 H ATOM 27559 OH2 TIP3 657 0.623 -4.730 -1.966 1.00 0.00 WT2 O ATOM 27560 H1 TIP3 657 2.079 0.833 -1.764 1.00 0.00 WT2 H ATOM 27561 H2 TIP3 657 -17.767 1.458 13.829 1.00 0.00 WT2 H ATOM 27562 OH2 TIP3 659 2.288 -0.662 3.190 1.00 0.00 WT2 O ATOM 27563 H1 TIP3 659 7.447 6.997 7.499 1.00 0.00 WT2 H ATOM 27564 H2 TIP3 659 10.673 -6.408 -7.607 1.00 0.00 WT2 H ATOM 27565 OH2 TIP3 660 0.399 4.175 -1.195 1.00 0.00 WT2 O ATOM 27566 H1 TIP3 660 7.086 -3.257 4.616 1.00 0.00 WT2 H ATOM 27567 H2 TIP3 660 2.641 -7.824 21.418 1.00 0.00 WT2 H ATOM 27568 OH2 TIP3 672 1.981 7.304 1.959 1.00 0.00 WT2 O ATOM 27569 H1 TIP3 672 -11.327 6.210 9.113 1.00 0.00 WT2 H ATOM 27570 H2 TIP3 672 -1.909 5.434 3.732 1.00 0.00 WT2 H ATOM 27571 OH2 TIP3 674 -2.551 1.352 -1.307 1.00 0.00 WT2 O ATOM 27572 H1 TIP3 674 -22.602 -15.290 -13.100 1.00 0.00 WT2 H ATOM 27573 H2 TIP3 674 5.802 6.457 -2.213 1.00 0.00 WT2 H ATOM 27574 OH2 TIP3 675 1.739 -6.973 3.515 1.00 0.00 WT2 O ATOM 27575 H1 TIP3 675 12.530 -10.439 -1.491 1.00 0.00 WT2 H ATOM 27576 H2 TIP3 675 5.727 2.552 13.602 1.00 0.00 WT2 H ATOM 27577 OH2 TIP3 676 5.573 -1.914 4.207 1.00 0.00 WT2 O ATOM 27578 H1 TIP3 676 12.119 -4.922 9.828 1.00 0.00 WT2 H ATOM 27579 H2 TIP3 676 -16.619 8.071 -21.071 1.00 0.00 WT2 H ATOM 27580 OH2 TIP3 677 4.234 -3.790 0.745 1.00 0.00 WT2 O ATOM 27581 H1 TIP3 677 12.588 -1.087 -2.624 1.00 0.00 WT2 H ATOM 27582 H2 TIP3 677 -9.474 -7.223 5.417 1.00 0.00 WT2 H ATOM 27583 OH2 TIP3 680 -0.876 -0.157 -1.533 1.00 0.00 WT2 O ATOM 27584 H1 TIP3 680 5.244 -5.541 -2.390 1.00 0.00 WT2 H ATOM 27585 H2 TIP3 680 7.278 -4.491 -4.390 1.00 0.00 WT2 H ATOM 27586 OH2 TIP3 682 -2.306 -1.453 -2.414 1.00 0.00 WT2 O ATOM 27587 H1 TIP3 682 8.936 -9.240 8.750 1.00 0.00 WT2 H ATOM 27588 H2 TIP3 682 -11.223 -21.557 -8.020 1.00 0.00 WT2 H ATOM 27589 OH2 TIP3 683 5.287 -10.792 1.073 1.00 0.00 WT2 O ATOM 27590 H1 TIP3 683 13.225 -17.821 6.879 1.00 0.00 WT2 H ATOM 27591 H2 TIP3 683 -22.724 -4.082 5.843 1.00 0.00 WT2 H ATOM 27592 OH2 TIP3 692 3.039 -2.504 4.703 1.00 0.00 WT2 O ATOM 27593 H1 TIP3 692 3.054 -9.667 4.393 1.00 0.00 WT2 H ATOM 27594 H2 TIP3 692 1.704 5.614 7.146 1.00 0.00 WT2 H ATOM 27595 OH2 TIP3 695 0.169 -4.748 -2.502 1.00 0.00 WT2 O ATOM 27596 H1 TIP3 695 8.096 -4.053 -4.077 1.00 0.00 WT2 H ATOM 27597 H2 TIP3 695 -1.026 -17.899 12.729 1.00 0.00 WT2 H ATOM 27598 OH2 TIP3 696 7.227 -7.978 4.503 1.00 0.00 WT2 O ATOM 27599 H1 TIP3 696 -16.010 -8.822 -7.092 1.00 0.00 WT2 H ATOM 27600 H2 TIP3 696 10.779 7.388 -1.578 1.00 0.00 WT2 H ATOM 27601 OH2 TIP3 697 -2.120 -0.498 9.345 1.00 0.00 WT2 O ATOM 27602 H1 TIP3 697 2.135 -23.172 9.417 1.00 0.00 WT2 H ATOM 27603 H2 TIP3 697 -2.187 6.994 -2.345 1.00 0.00 WT2 H ATOM 27604 OH2 TIP3 698 -3.431 -0.567 2.652 1.00 0.00 WT2 O ATOM 27605 H1 TIP3 698 -13.627 -11.513 -2.540 1.00 0.00 WT2 H ATOM 27606 H2 TIP3 698 15.422 -1.420 8.225 1.00 0.00 WT2 H ATOM 27607 OH2 TIP3 699 7.258 -0.500 1.067 1.00 0.00 WT2 O ATOM 27608 H1 TIP3 699 0.212 16.922 -16.270 1.00 0.00 WT2 H ATOM 27609 H2 TIP3 699 -18.059 14.935 -4.812 1.00 0.00 WT2 H ATOM 27610 OH2 TIP3 715 -4.211 4.027 -2.474 1.00 0.00 WT2 O ATOM 27611 H1 TIP3 715 -12.288 6.166 6.320 1.00 0.00 WT2 H ATOM 27612 H2 TIP3 715 -4.694 -24.435 -4.084 1.00 0.00 WT2 H ATOM 27613 OH2 TIP3 716 -5.216 1.266 4.358 1.00 0.00 WT2 O ATOM 27614 H1 TIP3 716 19.517 -32.215 -17.463 1.00 0.00 WT2 H ATOM 27615 H2 TIP3 716 -6.181 21.134 5.855 1.00 0.00 WT2 H ATOM 27616 OH2 TIP3 717 0.086 2.290 -1.406 1.00 0.00 WT2 O ATOM 27617 H1 TIP3 717 2.979 -8.634 -3.456 1.00 0.00 WT2 H ATOM 27618 H2 TIP3 717 -7.262 14.083 5.758 1.00 0.00 WT2 H ATOM 27619 OH2 TIP3 718 9.370 -9.332 -11.018 1.00 0.00 WT2 O ATOM 27620 H1 TIP3 718 1.663 -15.718 -19.538 1.00 0.00 WT2 H ATOM 27621 H2 TIP3 718 -31.676 -20.890 8.257 1.00 0.00 WT2 H ATOM 27622 OH2 TIP3 719 -1.327 -7.290 1.083 1.00 0.00 WT2 O ATOM 27623 H1 TIP3 719 15.748 9.693 2.669 1.00 0.00 WT2 H ATOM 27624 H2 TIP3 719 -0.174 -14.719 -3.302 1.00 0.00 WT2 H ATOM 27625 OH2 TIP3 720 0.265 -2.666 -6.507 1.00 0.00 WT2 O ATOM 27626 H1 TIP3 720 -6.791 -17.797 9.241 1.00 0.00 WT2 H ATOM 27627 H2 TIP3 720 3.289 -0.602 -3.465 1.00 0.00 WT2 H ATOM 27628 OH2 TIP3 721 -3.450 -2.805 0.161 1.00 0.00 WT2 O ATOM 27629 H1 TIP3 721 -13.451 -3.198 -1.812 1.00 0.00 WT2 H ATOM 27630 H2 TIP3 721 -16.784 -1.504 -2.020 1.00 0.00 WT2 H ATOM 27631 OH2 TIP3 735 -0.398 -1.887 1.919 1.00 0.00 WT2 O ATOM 27632 H1 TIP3 735 -6.349 8.060 4.166 1.00 0.00 WT2 H ATOM 27633 H2 TIP3 735 7.997 4.552 0.875 1.00 0.00 WT2 H ATOM 27634 OH2 TIP3 736 0.052 -5.262 2.879 1.00 0.00 WT2 O ATOM 27635 H1 TIP3 736 -16.812 -13.506 6.406 1.00 0.00 WT2 H ATOM 27636 H2 TIP3 736 -9.836 0.523 -21.666 1.00 0.00 WT2 H ATOM 27637 OH2 TIP3 738 -0.901 -5.538 2.976 1.00 0.00 WT2 O ATOM 27638 H1 TIP3 738 -0.917 22.455 11.992 1.00 0.00 WT2 H ATOM 27639 H2 TIP3 738 3.916 -12.975 -2.565 1.00 0.00 WT2 H ATOM 27640 OH2 TIP3 739 1.958 -1.169 -8.365 1.00 0.00 WT2 O ATOM 27641 H1 TIP3 739 -22.727 -4.788 7.901 1.00 0.00 WT2 H ATOM 27642 H2 TIP3 739 3.421 5.355 -19.827 1.00 0.00 WT2 H ATOM 27643 OH2 TIP3 740 -3.529 -2.543 1.237 1.00 0.00 WT2 O ATOM 27644 H1 TIP3 740 13.471 3.835 -3.950 1.00 0.00 WT2 H ATOM 27645 H2 TIP3 740 -7.088 -7.054 4.407 1.00 0.00 WT2 H ATOM 27646 OH2 TIP3 741 0.656 -6.491 0.507 1.00 0.00 WT2 O ATOM 27647 H1 TIP3 741 0.662 3.499 -5.202 1.00 0.00 WT2 H ATOM 27648 H2 TIP3 741 29.090 -8.128 6.623 1.00 0.00 WT2 H ATOM 27649 OH2 TIP3 744 8.870 0.745 -1.905 1.00 0.00 WT2 O ATOM 27650 H1 TIP3 744 -3.227 7.636 8.899 1.00 0.00 WT2 H ATOM 27651 H2 TIP3 744 -11.502 14.324 -3.448 1.00 0.00 WT2 H ATOM 27652 OH2 TIP3 746 1.772 -3.904 -5.914 1.00 0.00 WT2 O ATOM 27653 H1 TIP3 746 18.921 -4.531 -0.719 1.00 0.00 WT2 H ATOM 27654 H2 TIP3 746 -14.336 -12.853 -9.751 1.00 0.00 WT2 H ATOM 27655 OH2 TIP3 757 5.585 5.086 -7.706 1.00 0.00 WT2 O ATOM 27656 H1 TIP3 757 -4.142 8.004 -13.699 1.00 0.00 WT2 H ATOM 27657 H2 TIP3 757 0.638 3.445 -9.962 1.00 0.00 WT2 H ATOM 27658 OH2 TIP3 758 5.474 3.340 7.237 1.00 0.00 WT2 O ATOM 27659 H1 TIP3 758 3.646 7.488 4.711 1.00 0.00 WT2 H ATOM 27660 H2 TIP3 758 0.652 17.814 -2.137 1.00 0.00 WT2 H ATOM 27661 OH2 TIP3 759 0.355 -0.576 1.347 1.00 0.00 WT2 O ATOM 27662 H1 TIP3 759 29.458 2.281 0.647 1.00 0.00 WT2 H ATOM 27663 H2 TIP3 759 3.644 14.348 8.390 1.00 0.00 WT2 H ATOM 27664 OH2 TIP3 760 0.042 -1.724 -0.516 1.00 0.00 WT2 O ATOM 27665 H1 TIP3 760 -1.630 -4.420 8.726 1.00 0.00 WT2 H ATOM 27666 H2 TIP3 760 6.533 20.214 -13.467 1.00 0.00 WT2 H ATOM 27667 OH2 TIP3 765 -0.994 -2.184 7.407 1.00 0.00 WT2 O ATOM 27668 H1 TIP3 765 14.405 1.774 21.542 1.00 0.00 WT2 H ATOM 27669 H2 TIP3 765 -5.992 -8.772 -4.012 1.00 0.00 WT2 H ATOM 27670 OH2 TIP3 766 -3.140 -1.996 1.346 1.00 0.00 WT2 O ATOM 27671 H1 TIP3 766 6.228 2.276 0.660 1.00 0.00 WT2 H ATOM 27672 H2 TIP3 766 -8.732 -4.856 2.518 1.00 0.00 WT2 H ATOM 27673 OH2 TIP3 776 4.254 7.567 5.206 1.00 0.00 WT2 O ATOM 27674 H1 TIP3 776 11.629 9.459 -18.919 1.00 0.00 WT2 H ATOM 27675 H2 TIP3 776 -4.702 -5.664 18.061 1.00 0.00 WT2 H ATOM 27676 OH2 TIP3 778 -0.279 5.826 3.666 1.00 0.00 WT2 O ATOM 27677 H1 TIP3 778 -2.398 -19.240 13.393 1.00 0.00 WT2 H ATOM 27678 H2 TIP3 778 -4.845 -5.941 1.751 1.00 0.00 WT2 H ATOM 27679 OH2 TIP3 780 2.206 0.005 2.216 1.00 0.00 WT2 O ATOM 27680 H1 TIP3 780 -15.678 -0.477 6.083 1.00 0.00 WT2 H ATOM 27681 H2 TIP3 780 18.403 6.571 9.021 1.00 0.00 WT2 H ATOM 27682 OH2 TIP3 781 -2.471 -7.554 -1.754 1.00 0.00 WT2 O ATOM 27683 H1 TIP3 781 -16.482 6.323 4.378 1.00 0.00 WT2 H ATOM 27684 H2 TIP3 781 8.498 -21.553 -10.359 1.00 0.00 WT2 H ATOM 27685 OH2 TIP3 782 -2.219 -0.452 0.067 1.00 0.00 WT2 O ATOM 27686 H1 TIP3 782 9.870 -2.984 -22.146 1.00 0.00 WT2 H ATOM 27687 H2 TIP3 782 -11.173 2.506 19.684 1.00 0.00 WT2 H ATOM 27688 OH2 TIP3 783 -0.245 2.740 7.386 1.00 0.00 WT2 O ATOM 27689 H1 TIP3 783 -10.953 -0.112 -2.263 1.00 0.00 WT2 H ATOM 27690 H2 TIP3 783 -7.326 -9.327 16.073 1.00 0.00 WT2 H ATOM 27691 OH2 TIP3 784 0.434 -2.564 0.332 1.00 0.00 WT2 O ATOM 27692 H1 TIP3 784 5.234 -7.528 13.104 1.00 0.00 WT2 H ATOM 27693 H2 TIP3 784 -1.697 -4.049 -11.382 1.00 0.00 WT2 H ATOM 27694 OH2 TIP3 785 1.573 1.179 3.507 1.00 0.00 WT2 O ATOM 27695 H1 TIP3 785 -1.146 -5.372 7.975 1.00 0.00 WT2 H ATOM 27696 H2 TIP3 785 -4.418 -3.245 5.193 1.00 0.00 WT2 H ATOM 27697 OH2 TIP3 801 -9.290 -5.317 -5.231 1.00 0.00 WT2 O ATOM 27698 H1 TIP3 801 -8.856 10.592 9.220 1.00 0.00 WT2 H ATOM 27699 H2 TIP3 801 -14.053 -14.436 6.501 1.00 0.00 WT2 H ATOM 27700 OH2 TIP3 802 -2.878 3.010 -3.131 1.00 0.00 WT2 O ATOM 27701 H1 TIP3 802 6.366 2.782 -29.758 1.00 0.00 WT2 H ATOM 27702 H2 TIP3 802 7.126 13.443 -35.065 1.00 0.00 WT2 H ATOM 27703 OH2 TIP3 803 3.165 -0.461 1.129 1.00 0.00 WT2 O ATOM 27704 H1 TIP3 803 3.225 2.791 5.187 1.00 0.00 WT2 H ATOM 27705 H2 TIP3 803 -2.714 12.108 15.592 1.00 0.00 WT2 H ATOM 27706 OH2 TIP3 804 -0.494 0.287 -1.612 1.00 0.00 WT2 O ATOM 27707 H1 TIP3 804 -23.735 3.957 4.130 1.00 0.00 WT2 H ATOM 27708 H2 TIP3 804 5.584 -1.286 -6.642 1.00 0.00 WT2 H ATOM 27709 OH2 TIP3 805 -4.426 4.866 2.398 1.00 0.00 WT2 O ATOM 27710 H1 TIP3 805 -9.320 -11.365 -23.112 1.00 0.00 WT2 H ATOM 27711 H2 TIP3 805 -1.700 4.517 0.032 1.00 0.00 WT2 H ATOM 27712 OH2 TIP3 807 -2.116 3.178 -2.365 1.00 0.00 WT2 O ATOM 27713 H1 TIP3 807 -4.625 3.258 2.099 1.00 0.00 WT2 H ATOM 27714 H2 TIP3 807 -1.259 2.942 -3.595 1.00 0.00 WT2 H ATOM 27715 OH2 TIP3 809 -2.266 -4.641 3.595 1.00 0.00 WT2 O ATOM 27716 H1 TIP3 809 -13.488 -4.053 5.584 1.00 0.00 WT2 H ATOM 27717 H2 TIP3 809 -4.771 -1.073 1.618 1.00 0.00 WT2 H ATOM 27718 OH2 TIP3 817 -7.416 3.675 -1.001 1.00 0.00 WT2 O ATOM 27719 H1 TIP3 817 -13.903 27.328 -4.615 1.00 0.00 WT2 H ATOM 27720 H2 TIP3 817 5.780 -10.605 -9.255 1.00 0.00 WT2 H ATOM 27721 OH2 TIP3 822 4.338 0.513 0.263 1.00 0.00 WT2 O ATOM 27722 H1 TIP3 822 11.276 3.913 10.390 1.00 0.00 WT2 H ATOM 27723 H2 TIP3 822 14.664 2.186 -2.660 1.00 0.00 WT2 H ATOM 27724 OH2 TIP3 823 -1.768 6.485 0.637 1.00 0.00 WT2 O ATOM 27725 H1 TIP3 823 10.644 -4.869 -10.967 1.00 0.00 WT2 H ATOM 27726 H2 TIP3 823 -12.579 -0.012 1.350 1.00 0.00 WT2 H ATOM 27727 OH2 TIP3 824 -5.184 4.299 -3.711 1.00 0.00 WT2 O ATOM 27728 H1 TIP3 824 4.232 -11.841 11.889 1.00 0.00 WT2 H ATOM 27729 H2 TIP3 824 6.085 11.310 -17.246 1.00 0.00 WT2 H ATOM 27730 OH2 TIP3 826 -5.336 4.562 -4.118 1.00 0.00 WT2 O ATOM 27731 H1 TIP3 826 -1.098 1.167 -2.500 1.00 0.00 WT2 H ATOM 27732 H2 TIP3 826 3.013 5.837 -17.146 1.00 0.00 WT2 H ATOM 27733 OH2 TIP3 843 4.517 -0.520 1.991 1.00 0.00 WT2 O ATOM 27734 H1 TIP3 843 -7.316 -12.692 -10.206 1.00 0.00 WT2 H ATOM 27735 H2 TIP3 843 -1.914 3.887 17.464 1.00 0.00 WT2 H ATOM 27736 OH2 TIP3 845 0.999 8.156 1.096 1.00 0.00 WT2 O ATOM 27737 H1 TIP3 845 2.406 5.882 -0.297 1.00 0.00 WT2 H ATOM 27738 H2 TIP3 845 -2.863 7.182 0.230 1.00 0.00 WT2 H ATOM 27739 OH2 TIP3 846 1.524 -6.002 0.319 1.00 0.00 WT2 O ATOM 27740 H1 TIP3 846 -12.345 19.352 -23.909 1.00 0.00 WT2 H ATOM 27741 H2 TIP3 846 20.477 12.333 20.352 1.00 0.00 WT2 H ATOM 27742 OH2 TIP3 847 1.382 -5.667 -6.253 1.00 0.00 WT2 O ATOM 27743 H1 TIP3 847 -7.427 -3.072 -27.414 1.00 0.00 WT2 H ATOM 27744 H2 TIP3 847 1.634 16.041 -2.768 1.00 0.00 WT2 H ATOM 27745 OH2 TIP3 848 -5.224 -5.751 -0.638 1.00 0.00 WT2 O ATOM 27746 H1 TIP3 848 1.159 -3.178 -10.459 1.00 0.00 WT2 H ATOM 27747 H2 TIP3 848 -0.818 -1.746 6.282 1.00 0.00 WT2 H ATOM 27748 OH2 TIP3 849 -0.044 0.280 4.968 1.00 0.00 WT2 O ATOM 27749 H1 TIP3 849 0.589 -7.101 1.794 1.00 0.00 WT2 H ATOM 27750 H2 TIP3 849 -8.273 -8.216 19.863 1.00 0.00 WT2 H ATOM 27751 OH2 TIP3 862 -1.382 -5.519 3.251 1.00 0.00 WT2 O ATOM 27752 H1 TIP3 862 -2.393 6.735 -12.316 1.00 0.00 WT2 H ATOM 27753 H2 TIP3 862 -10.481 25.111 -41.996 1.00 0.00 WT2 H ATOM 27754 OH2 TIP3 865 -3.610 -0.566 0.397 1.00 0.00 WT2 O ATOM 27755 H1 TIP3 865 -1.041 -4.587 13.270 1.00 0.00 WT2 H ATOM 27756 H2 TIP3 865 -0.370 -1.809 7.194 1.00 0.00 WT2 H ATOM 27757 OH2 TIP3 866 -0.172 -0.736 -4.233 1.00 0.00 WT2 O ATOM 27758 H1 TIP3 866 -9.208 -16.969 -5.704 1.00 0.00 WT2 H ATOM 27759 H2 TIP3 866 19.159 -0.066 7.427 1.00 0.00 WT2 H ATOM 27760 OH2 TIP3 867 -1.150 4.715 -2.753 1.00 0.00 WT2 O ATOM 27761 H1 TIP3 867 -15.692 7.842 10.823 1.00 0.00 WT2 H ATOM 27762 H2 TIP3 867 -4.756 3.797 16.483 1.00 0.00 WT2 H ATOM 27763 OH2 TIP3 883 3.913 5.513 5.878 1.00 0.00 WT2 O ATOM 27764 H1 TIP3 883 5.107 6.001 3.848 1.00 0.00 WT2 H ATOM 27765 H2 TIP3 883 -4.134 2.646 2.719 1.00 0.00 WT2 H ATOM 27766 OH2 TIP3 885 -5.382 -1.426 -3.253 1.00 0.00 WT2 O ATOM 27767 H1 TIP3 885 -9.296 12.102 -7.698 1.00 0.00 WT2 H ATOM 27768 H2 TIP3 885 -10.309 4.078 -0.566 1.00 0.00 WT2 H ATOM 27769 OH2 TIP3 887 -0.460 1.585 0.988 1.00 0.00 WT2 O ATOM 27770 H1 TIP3 887 -4.300 -26.045 -5.594 1.00 0.00 WT2 H ATOM 27771 H2 TIP3 887 1.675 7.849 1.835 1.00 0.00 WT2 H ATOM 27772 OH2 TIP3 888 -0.938 -0.230 8.153 1.00 0.00 WT2 O ATOM 27773 H1 TIP3 888 9.064 -13.610 3.416 1.00 0.00 WT2 H ATOM 27774 H2 TIP3 888 -7.177 5.403 10.003 1.00 0.00 WT2 H ATOM 27775 OH2 TIP3 891 0.665 -14.774 4.338 1.00 0.00 WT2 O ATOM 27776 H1 TIP3 891 -1.066 -5.881 -18.094 1.00 0.00 WT2 H ATOM 27777 H2 TIP3 891 12.019 2.461 22.678 1.00 0.00 WT2 H ATOM 27778 OH2 TIP3 905 -2.271 1.757 -1.204 1.00 0.00 WT2 O ATOM 27779 H1 TIP3 905 17.432 -9.756 -22.368 1.00 0.00 WT2 H ATOM 27780 H2 TIP3 905 -17.807 -17.573 4.637 1.00 0.00 WT2 H ATOM 27781 OH2 TIP3 906 -5.051 7.283 -5.401 1.00 0.00 WT2 O ATOM 27782 H1 TIP3 906 -6.533 1.672 -10.809 1.00 0.00 WT2 H ATOM 27783 H2 TIP3 906 -13.199 1.042 -11.071 1.00 0.00 WT2 H ATOM 27784 OH2 TIP3 907 0.783 1.371 6.220 1.00 0.00 WT2 O ATOM 27785 H1 TIP3 907 -7.241 6.932 29.195 1.00 0.00 WT2 H ATOM 27786 H2 TIP3 907 -8.851 25.596 -12.177 1.00 0.00 WT2 H ATOM 27787 OH2 TIP3 908 -1.166 5.115 -5.149 1.00 0.00 WT2 O ATOM 27788 H1 TIP3 908 13.739 -2.501 -0.229 1.00 0.00 WT2 H ATOM 27789 H2 TIP3 908 6.164 19.282 15.804 1.00 0.00 WT2 H ATOM 27790 OH2 TIP3 909 -7.668 -0.344 0.365 1.00 0.00 WT2 O ATOM 27791 H1 TIP3 909 -10.398 2.467 2.592 1.00 0.00 WT2 H ATOM 27792 H2 TIP3 909 -13.306 4.366 -5.675 1.00 0.00 WT2 H ATOM 27793 OH2 TIP3 910 -9.732 1.424 1.523 1.00 0.00 WT2 O ATOM 27794 H1 TIP3 910 4.461 -6.288 -7.959 1.00 0.00 WT2 H ATOM 27795 H2 TIP3 910 -18.888 14.684 -10.586 1.00 0.00 WT2 H ATOM 27796 OH2 TIP3 912 -8.172 -4.015 3.287 1.00 0.00 WT2 O ATOM 27797 H1 TIP3 912 2.877 11.509 -14.173 1.00 0.00 WT2 H ATOM 27798 H2 TIP3 912 -19.940 -27.360 -3.494 1.00 0.00 WT2 H ATOM 27799 OH2 TIP3 913 2.373 2.672 6.366 1.00 0.00 WT2 O ATOM 27800 H1 TIP3 913 1.070 -3.279 17.078 1.00 0.00 WT2 H ATOM 27801 H2 TIP3 913 -4.609 10.316 2.890 1.00 0.00 WT2 H ATOM 27802 OH2 TIP3 924 0.622 -1.400 -4.537 1.00 0.00 WT2 O ATOM 27803 H1 TIP3 924 41.767 -20.307 -1.826 1.00 0.00 WT2 H ATOM 27804 H2 TIP3 924 8.551 -7.674 -0.932 1.00 0.00 WT2 H ATOM 27805 OH2 TIP3 925 -9.883 3.333 2.081 1.00 0.00 WT2 O ATOM 27806 H1 TIP3 925 0.485 6.917 12.848 1.00 0.00 WT2 H ATOM 27807 H2 TIP3 925 26.860 23.208 6.152 1.00 0.00 WT2 H ATOM 27808 OH2 TIP3 926 3.586 -3.246 -3.452 1.00 0.00 WT2 O ATOM 27809 H1 TIP3 926 7.748 -17.687 11.287 1.00 0.00 WT2 H ATOM 27810 H2 TIP3 926 35.661 -3.756 -0.279 1.00 0.00 WT2 H ATOM 27811 OH2 TIP3 927 0.890 0.977 -4.437 1.00 0.00 WT2 O ATOM 27812 H1 TIP3 927 1.166 5.734 -6.382 1.00 0.00 WT2 H ATOM 27813 H2 TIP3 927 1.491 -0.139 -5.362 1.00 0.00 WT2 H ATOM 27814 OH2 TIP3 928 5.133 -0.012 1.797 1.00 0.00 WT2 O ATOM 27815 H1 TIP3 928 7.803 24.815 -1.327 1.00 0.00 WT2 H ATOM 27816 H2 TIP3 928 5.585 19.263 15.640 1.00 0.00 WT2 H ATOM 27817 OH2 TIP3 929 3.203 -6.546 -3.215 1.00 0.00 WT2 O ATOM 27818 H1 TIP3 929 14.641 -10.857 0.314 1.00 0.00 WT2 H ATOM 27819 H2 TIP3 929 14.900 -12.572 12.091 1.00 0.00 WT2 H ATOM 27820 OH2 TIP3 930 3.485 5.582 -3.762 1.00 0.00 WT2 O ATOM 27821 H1 TIP3 930 8.419 -10.794 -5.848 1.00 0.00 WT2 H ATOM 27822 H2 TIP3 930 7.366 -3.894 -33.828 1.00 0.00 WT2 H ATOM 27823 OH2 TIP3 932 2.740 -1.438 -6.193 1.00 0.00 WT2 O ATOM 27824 H1 TIP3 932 4.579 13.019 0.553 1.00 0.00 WT2 H ATOM 27825 H2 TIP3 932 1.426 -8.856 -9.252 1.00 0.00 WT2 H ATOM 27826 OH2 TIP3 942 -1.080 -0.171 4.648 1.00 0.00 WT2 O ATOM 27827 H1 TIP3 942 -16.856 -5.145 -3.713 1.00 0.00 WT2 H ATOM 27828 H2 TIP3 942 -3.111 7.582 3.513 1.00 0.00 WT2 H ATOM 27829 OH2 TIP3 947 0.782 -0.644 4.284 1.00 0.00 WT2 O ATOM 27830 H1 TIP3 947 -2.845 -35.517 17.210 1.00 0.00 WT2 H ATOM 27831 H2 TIP3 947 -6.940 6.809 -29.455 1.00 0.00 WT2 H ATOM 27832 OH2 TIP3 948 -1.017 -8.552 -6.263 1.00 0.00 WT2 O ATOM 27833 H1 TIP3 948 -4.064 2.768 4.752 1.00 0.00 WT2 H ATOM 27834 H2 TIP3 948 -7.304 7.527 10.519 1.00 0.00 WT2 H ATOM 27835 OH2 TIP3 950 1.935 1.020 -1.276 1.00 0.00 WT2 O ATOM 27836 H1 TIP3 950 -38.328 -7.250 12.621 1.00 0.00 WT2 H ATOM 27837 H2 TIP3 950 -8.149 -10.121 2.791 1.00 0.00 WT2 H ATOM 27838 OH2 TIP3 951 -2.717 2.949 3.794 1.00 0.00 WT2 O ATOM 27839 H1 TIP3 951 5.647 8.073 5.462 1.00 0.00 WT2 H ATOM 27840 H2 TIP3 951 -11.442 8.375 2.547 1.00 0.00 WT2 H ATOM 27841 OH2 TIP3 952 3.529 -1.647 -3.198 1.00 0.00 WT2 O ATOM 27842 H1 TIP3 952 3.676 9.962 -1.808 1.00 0.00 WT2 H ATOM 27843 H2 TIP3 952 14.898 -8.049 -4.127 1.00 0.00 WT2 H ATOM 27844 OH2 TIP3 953 -4.902 3.913 -6.417 1.00 0.00 WT2 O ATOM 27845 H1 TIP3 953 5.207 -8.016 -27.553 1.00 0.00 WT2 H ATOM 27846 H2 TIP3 953 8.434 14.824 14.433 1.00 0.00 WT2 H ATOM 27847 OH2 TIP3 956 1.124 4.372 2.625 1.00 0.00 WT2 O ATOM 27848 H1 TIP3 956 -5.508 -15.843 -2.073 1.00 0.00 WT2 H ATOM 27849 H2 TIP3 956 -7.284 2.287 11.130 1.00 0.00 WT2 H ATOM 27850 OH2 TIP3 964 -9.310 -2.077 4.748 1.00 0.00 WT2 O ATOM 27851 H1 TIP3 964 -11.242 5.019 9.289 1.00 0.00 WT2 H ATOM 27852 H2 TIP3 964 -2.769 3.076 4.105 1.00 0.00 WT2 H ATOM 27853 OH2 TIP3 968 1.712 7.274 -8.464 1.00 0.00 WT2 O ATOM 27854 H1 TIP3 968 -10.831 21.100 -32.456 1.00 0.00 WT2 H ATOM 27855 H2 TIP3 968 15.210 -5.667 4.803 1.00 0.00 WT2 H ATOM 27856 OH2 TIP3 969 -0.422 -1.636 0.371 1.00 0.00 WT2 O ATOM 27857 H1 TIP3 969 -2.891 -35.046 -6.635 1.00 0.00 WT2 H ATOM 27858 H2 TIP3 969 -5.203 10.199 32.285 1.00 0.00 WT2 H ATOM 27859 OH2 TIP3 970 4.688 1.678 -2.777 1.00 0.00 WT2 O ATOM 27860 H1 TIP3 970 1.012 1.186 -12.241 1.00 0.00 WT2 H ATOM 27861 H2 TIP3 970 9.224 -6.315 -2.072 1.00 0.00 WT2 H ATOM 27862 OH2 TIP3 972 2.828 -8.143 5.616 1.00 0.00 WT2 O ATOM 27863 H1 TIP3 972 1.210 -14.135 14.102 1.00 0.00 WT2 H ATOM 27864 H2 TIP3 972 -7.117 -7.680 3.631 1.00 0.00 WT2 H ATOM 27865 OH2 TIP3 974 6.735 -2.700 -7.062 1.00 0.00 WT2 O ATOM 27866 H1 TIP3 974 -0.526 -11.893 4.430 1.00 0.00 WT2 H ATOM 27867 H2 TIP3 974 3.319 -1.207 12.217 1.00 0.00 WT2 H ATOM 27868 OH2 TIP3 985 -3.003 -0.153 4.375 1.00 0.00 WT2 O ATOM 27869 H1 TIP3 985 -1.170 6.226 7.818 1.00 0.00 WT2 H ATOM 27870 H2 TIP3 985 -13.904 1.964 -3.692 1.00 0.00 WT2 H ATOM 27871 OH2 TIP3 987 -3.962 4.761 -3.009 1.00 0.00 WT2 O ATOM 27872 H1 TIP3 987 -6.296 -8.287 -1.681 1.00 0.00 WT2 H ATOM 27873 H2 TIP3 987 -21.596 -4.812 -4.119 1.00 0.00 WT2 H ATOM 27874 OH2 TIP3 988 -0.678 1.193 2.637 1.00 0.00 WT2 O ATOM 27875 H1 TIP3 988 -22.125 -20.662 7.348 1.00 0.00 WT2 H ATOM 27876 H2 TIP3 988 -10.768 9.308 6.305 1.00 0.00 WT2 H ATOM 27877 OH2 TIP3 989 -2.003 -9.276 -0.604 1.00 0.00 WT2 O ATOM 27878 H1 TIP3 989 8.683 -10.003 -18.301 1.00 0.00 WT2 H ATOM 27879 H2 TIP3 989 -26.099 11.479 -2.108 1.00 0.00 WT2 H ATOM 27880 OH2 TIP3 990 -2.333 7.607 -4.808 1.00 0.00 WT2 O ATOM 27881 H1 TIP3 990 2.211 13.321 -5.775 1.00 0.00 WT2 H ATOM 27882 H2 TIP3 990 -3.334 1.459 -4.706 1.00 0.00 WT2 H ATOM 27883 OH2 TIP3 991 -8.946 3.462 2.229 1.00 0.00 WT2 O ATOM 27884 H1 TIP3 991 -7.240 10.210 3.313 1.00 0.00 WT2 H ATOM 27885 H2 TIP3 991 -2.121 1.151 -0.806 1.00 0.00 WT2 H ATOM 27886 OH2 TIP3 992 4.148 -9.486 0.254 1.00 0.00 WT2 O ATOM 27887 H1 TIP3 992 -1.723 -11.297 3.805 1.00 0.00 WT2 H ATOM 27888 H2 TIP3 992 -2.122 -3.333 12.934 1.00 0.00 WT2 H ATOM 27889 OH2 TIP3 995 -3.778 1.163 4.361 1.00 0.00 WT2 O ATOM 27890 H1 TIP3 995 3.587 0.019 -3.769 1.00 0.00 WT2 H ATOM 27891 H2 TIP3 995 15.315 -7.444 3.565 1.00 0.00 WT2 H ATOM 27892 OH2 TIP3 1007 -7.119 1.392 2.804 1.00 0.00 WT2 O ATOM 27893 H1 TIP3 1007 2.227 -11.358 14.074 1.00 0.00 WT2 H ATOM 27894 H2 TIP3 1007 8.929 18.283 1.937 1.00 0.00 WT2 H ATOM 27895 OH2 TIP3 1010 3.751 0.718 0.972 1.00 0.00 WT2 O ATOM 27896 H1 TIP3 1010 -12.429 -0.253 -1.345 1.00 0.00 WT2 H ATOM 27897 H2 TIP3 1010 4.409 -3.863 -8.619 1.00 0.00 WT2 H ATOM 27898 OH2 TIP3 1011 -0.490 2.510 -3.608 1.00 0.00 WT2 O ATOM 27899 H1 TIP3 1011 5.749 3.688 -5.120 1.00 0.00 WT2 H ATOM 27900 H2 TIP3 1011 -2.453 3.169 -3.690 1.00 0.00 WT2 H ATOM 27901 OH2 TIP3 1013 -5.775 -1.186 -5.732 1.00 0.00 WT2 O ATOM 27902 H1 TIP3 1013 -4.201 3.807 -10.283 1.00 0.00 WT2 H ATOM 27903 H2 TIP3 1013 -10.691 3.209 0.497 1.00 0.00 WT2 H ATOM 27904 OH2 TIP3 1014 4.581 3.912 1.511 1.00 0.00 WT2 O ATOM 27905 H1 TIP3 1014 11.208 -2.585 7.823 1.00 0.00 WT2 H ATOM 27906 H2 TIP3 1014 6.058 2.843 2.220 1.00 0.00 WT2 H ATOM 27907 OH2 TIP3 1017 -3.676 5.142 0.183 1.00 0.00 WT2 O ATOM 27908 H1 TIP3 1017 5.802 5.449 -1.887 1.00 0.00 WT2 H ATOM 27909 H2 TIP3 1017 -10.307 23.865 -1.457 1.00 0.00 WT2 H ATOM 27910 OH2 TIP3 1018 3.036 -3.880 0.792 1.00 0.00 WT2 O ATOM 27911 H1 TIP3 1018 -12.603 -3.742 7.863 1.00 0.00 WT2 H ATOM 27912 H2 TIP3 1018 5.468 -4.627 -2.521 1.00 0.00 WT2 H ATOM 27913 OH2 TIP3 1027 -4.651 1.687 -4.208 1.00 0.00 WT2 O ATOM 27914 H1 TIP3 1027 -10.239 41.253 6.547 1.00 0.00 WT2 H ATOM 27915 H2 TIP3 1027 11.118 1.148 -12.931 1.00 0.00 WT2 H ATOM 27916 OH2 TIP3 1032 3.789 -0.958 0.285 1.00 0.00 WT2 O ATOM 27917 H1 TIP3 1032 -5.952 3.327 2.993 1.00 0.00 WT2 H ATOM 27918 H2 TIP3 1032 6.657 -4.215 9.017 1.00 0.00 WT2 H ATOM 27919 OH2 TIP3 1033 -3.473 -2.655 -4.161 1.00 0.00 WT2 O ATOM 27920 H1 TIP3 1033 6.413 -2.449 2.293 1.00 0.00 WT2 H ATOM 27921 H2 TIP3 1033 -0.183 -3.884 -3.180 1.00 0.00 WT2 H ATOM 27922 OH2 TIP3 1040 -2.666 1.231 2.971 1.00 0.00 WT2 O ATOM 27923 H1 TIP3 1040 -7.595 2.983 12.179 1.00 0.00 WT2 H ATOM 27924 H2 TIP3 1040 2.692 12.807 4.519 1.00 0.00 WT2 H ATOM 27925 OH2 TIP3 1051 -7.136 -2.586 -1.364 1.00 0.00 WT2 O ATOM 27926 H1 TIP3 1051 -20.047 -0.536 -7.518 1.00 0.00 WT2 H ATOM 27927 H2 TIP3 1051 5.001 4.681 -6.451 1.00 0.00 WT2 H ATOM 27928 OH2 TIP3 1053 0.178 -0.459 2.903 1.00 0.00 WT2 O ATOM 27929 H1 TIP3 1053 3.633 11.743 -1.886 1.00 0.00 WT2 H ATOM 27930 H2 TIP3 1053 -11.507 -1.946 10.646 1.00 0.00 WT2 H ATOM 27931 OH2 TIP3 1054 0.208 -0.479 -1.182 1.00 0.00 WT2 O ATOM 27932 H1 TIP3 1054 -4.498 15.599 1.313 1.00 0.00 WT2 H ATOM 27933 H2 TIP3 1054 -8.728 -12.631 -7.095 1.00 0.00 WT2 H ATOM 27934 OH2 TIP3 1055 3.116 -1.855 -4.979 1.00 0.00 WT2 O ATOM 27935 H1 TIP3 1055 2.171 -7.229 -3.376 1.00 0.00 WT2 H ATOM 27936 H2 TIP3 1055 5.001 -4.410 -6.651 1.00 0.00 WT2 H ATOM 27937 OH2 TIP3 1058 -0.583 3.982 0.561 1.00 0.00 WT2 O ATOM 27938 H1 TIP3 1058 -14.015 16.367 1.812 1.00 0.00 WT2 H ATOM 27939 H2 TIP3 1058 -5.441 -6.790 -14.865 1.00 0.00 WT2 H ATOM 27940 OH2 TIP3 1059 -5.422 -4.316 6.090 1.00 0.00 WT2 O ATOM 27941 H1 TIP3 1059 8.237 -13.114 9.308 1.00 0.00 WT2 H ATOM 27942 H2 TIP3 1059 -6.906 2.212 10.548 1.00 0.00 WT2 H ATOM 27943 OH2 TIP3 1072 0.886 9.400 3.556 1.00 0.00 WT2 O ATOM 27944 H1 TIP3 1072 -0.325 25.935 13.000 1.00 0.00 WT2 H ATOM 27945 H2 TIP3 1072 2.640 -25.090 -16.733 1.00 0.00 WT2 H ATOM 27946 OH2 TIP3 1075 -4.701 2.479 -4.635 1.00 0.00 WT2 O ATOM 27947 H1 TIP3 1075 -14.348 4.708 -6.170 1.00 0.00 WT2 H ATOM 27948 H2 TIP3 1075 6.163 -0.288 -3.450 1.00 0.00 WT2 H ATOM 27949 OH2 TIP3 1076 5.183 0.600 0.812 1.00 0.00 WT2 O ATOM 27950 H1 TIP3 1076 6.191 -5.363 6.798 1.00 0.00 WT2 H ATOM 27951 H2 TIP3 1076 17.435 -2.006 -2.006 1.00 0.00 WT2 H ATOM 27952 OH2 TIP3 1077 3.230 -1.252 2.156 1.00 0.00 WT2 O ATOM 27953 H1 TIP3 1077 4.472 8.448 8.954 1.00 0.00 WT2 H ATOM 27954 H2 TIP3 1077 -2.491 -8.020 10.039 1.00 0.00 WT2 H ATOM 27955 OH2 TIP3 1092 -3.270 2.491 -3.483 1.00 0.00 WT2 O ATOM 27956 H1 TIP3 1092 9.198 10.222 -3.903 1.00 0.00 WT2 H ATOM 27957 H2 TIP3 1092 3.129 4.812 11.233 1.00 0.00 WT2 H ATOM 27958 OH2 TIP3 1094 3.715 0.259 0.543 1.00 0.00 WT2 O ATOM 27959 H1 TIP3 1094 -15.744 -12.130 7.306 1.00 0.00 WT2 H ATOM 27960 H2 TIP3 1094 -5.865 14.693 -12.608 1.00 0.00 WT2 H ATOM 27961 OH2 TIP3 1096 -0.958 -9.700 2.218 1.00 0.00 WT2 O ATOM 27962 H1 TIP3 1096 1.762 4.457 16.457 1.00 0.00 WT2 H ATOM 27963 H2 TIP3 1096 -4.680 -19.550 -1.010 1.00 0.00 WT2 H ATOM 27964 OH2 TIP3 1101 0.327 0.761 2.947 1.00 0.00 WT2 O ATOM 27965 H1 TIP3 1101 -7.970 -17.906 -3.538 1.00 0.00 WT2 H ATOM 27966 H2 TIP3 1101 -6.920 -0.207 7.749 1.00 0.00 WT2 H ATOM 27967 OH2 TIP3 1112 -7.613 -0.798 -0.811 1.00 0.00 WT2 O ATOM 27968 H1 TIP3 1112 -12.029 -0.862 18.792 1.00 0.00 WT2 H ATOM 27969 H2 TIP3 1112 -22.480 3.379 4.905 1.00 0.00 WT2 H ATOM 27970 OH2 TIP3 1113 -3.534 -0.546 1.988 1.00 0.00 WT2 O ATOM 27971 H1 TIP3 1113 -9.292 0.535 -3.453 1.00 0.00 WT2 H ATOM 27972 H2 TIP3 1113 10.195 -9.867 7.657 1.00 0.00 WT2 H ATOM 27973 OH2 TIP3 1115 -0.984 -1.648 2.091 1.00 0.00 WT2 O ATOM 27974 H1 TIP3 1115 -14.183 -4.452 3.907 1.00 0.00 WT2 H ATOM 27975 H2 TIP3 1115 34.058 7.084 -3.826 1.00 0.00 WT2 H ATOM 27976 OH2 TIP3 1117 -2.311 -2.205 3.181 1.00 0.00 WT2 O ATOM 27977 H1 TIP3 1117 -2.920 0.443 -2.879 1.00 0.00 WT2 H ATOM 27978 H2 TIP3 1117 -3.186 -0.586 4.992 1.00 0.00 WT2 H ATOM 27979 OH2 TIP3 1119 1.332 -2.102 2.808 1.00 0.00 WT2 O ATOM 27980 H1 TIP3 1119 5.419 0.608 3.226 1.00 0.00 WT2 H ATOM 27981 H2 TIP3 1119 -4.595 -5.785 7.818 1.00 0.00 WT2 H ATOM 27982 OH2 TIP3 1122 -1.899 3.877 0.528 1.00 0.00 WT2 O ATOM 27983 H1 TIP3 1122 1.014 -6.197 -7.197 1.00 0.00 WT2 H ATOM 27984 H2 TIP3 1122 -9.027 0.830 -10.160 1.00 0.00 WT2 H ATOM 27985 OH2 TIP3 1134 -1.517 -5.762 3.009 1.00 0.00 WT2 O ATOM 27986 H1 TIP3 1134 5.121 -9.453 6.079 1.00 0.00 WT2 H ATOM 27987 H2 TIP3 1134 -23.415 9.556 1.478 1.00 0.00 WT2 H ATOM 27988 OH2 TIP3 1135 1.671 -0.913 -3.355 1.00 0.00 WT2 O ATOM 27989 H1 TIP3 1135 2.805 7.121 18.720 1.00 0.00 WT2 H ATOM 27990 H2 TIP3 1135 15.803 -7.705 -3.650 1.00 0.00 WT2 H ATOM 27991 OH2 TIP3 1137 -1.779 -1.631 5.891 1.00 0.00 WT2 O ATOM 27992 H1 TIP3 1137 -1.089 4.576 2.221 1.00 0.00 WT2 H ATOM 27993 H2 TIP3 1137 -1.271 -7.376 1.553 1.00 0.00 WT2 H ATOM 27994 OH2 TIP3 1139 8.067 7.451 9.209 1.00 0.00 WT2 O ATOM 27995 H1 TIP3 1139 -8.235 3.314 22.847 1.00 0.00 WT2 H ATOM 27996 H2 TIP3 1139 18.068 15.244 -10.854 1.00 0.00 WT2 H ATOM 27997 OH2 TIP3 1140 -1.595 -2.654 1.638 1.00 0.00 WT2 O ATOM 27998 H1 TIP3 1140 -6.655 -3.046 -12.937 1.00 0.00 WT2 H ATOM 27999 H2 TIP3 1140 26.592 -6.841 12.470 1.00 0.00 WT2 H ATOM 28000 OH2 TIP3 1155 -8.287 1.251 -1.431 1.00 0.00 WT2 O ATOM 28001 H1 TIP3 1155 -22.324 -4.340 -9.769 1.00 0.00 WT2 H ATOM 28002 H2 TIP3 1155 -8.436 -2.043 -6.666 1.00 0.00 WT2 H ATOM 28003 OH2 TIP3 1157 3.258 -4.398 5.871 1.00 0.00 WT2 O ATOM 28004 H1 TIP3 1157 -8.347 -9.883 11.123 1.00 0.00 WT2 H ATOM 28005 H2 TIP3 1157 4.681 -6.638 -4.710 1.00 0.00 WT2 H ATOM 28006 OH2 TIP3 1158 4.523 7.434 1.268 1.00 0.00 WT2 O ATOM 28007 H1 TIP3 1158 -1.952 -18.290 9.353 1.00 0.00 WT2 H ATOM 28008 H2 TIP3 1158 -13.125 -8.556 -18.541 1.00 0.00 WT2 H ATOM 28009 OH2 TIP3 1159 -6.063 -12.996 2.513 1.00 0.00 WT2 O ATOM 28010 H1 TIP3 1159 15.879 8.730 31.802 1.00 0.00 WT2 H ATOM 28011 H2 TIP3 1159 23.234 10.815 -17.731 1.00 0.00 WT2 H ATOM 28012 OH2 TIP3 1160 4.666 2.756 4.294 1.00 0.00 WT2 O ATOM 28013 H1 TIP3 1160 -2.118 6.164 16.352 1.00 0.00 WT2 H ATOM 28014 H2 TIP3 1160 3.679 -0.307 6.342 1.00 0.00 WT2 H ATOM 28015 OH2 TIP3 1162 -2.191 0.446 -3.980 1.00 0.00 WT2 O ATOM 28016 H1 TIP3 1162 -10.749 32.333 -0.762 1.00 0.00 WT2 H ATOM 28017 H2 TIP3 1162 22.426 -8.499 -3.896 1.00 0.00 WT2 H ATOM 28018 OH2 TIP3 1163 1.723 10.902 6.271 1.00 0.00 WT2 O ATOM 28019 H1 TIP3 1163 13.411 9.916 13.888 1.00 0.00 WT2 H ATOM 28020 H2 TIP3 1163 6.002 18.273 -4.448 1.00 0.00 WT2 H ATOM 28021 OH2 TIP3 1177 -6.114 -3.773 0.067 1.00 0.00 WT2 O ATOM 28022 H1 TIP3 1177 -14.858 -18.984 -7.960 1.00 0.00 WT2 H ATOM 28023 H2 TIP3 1177 5.320 57.626 -12.964 1.00 0.00 WT2 H ATOM 28024 OH2 TIP3 1178 -1.621 4.958 3.111 1.00 0.00 WT2 O ATOM 28025 H1 TIP3 1178 7.033 -2.245 10.349 1.00 0.00 WT2 H ATOM 28026 H2 TIP3 1178 -4.141 6.913 -3.125 1.00 0.00 WT2 H ATOM 28027 OH2 TIP3 1179 -1.298 1.773 -3.739 1.00 0.00 WT2 O ATOM 28028 H1 TIP3 1179 0.110 5.391 12.612 1.00 0.00 WT2 H ATOM 28029 H2 TIP3 1179 -16.862 -8.501 8.985 1.00 0.00 WT2 H ATOM 28030 OH2 TIP3 1180 0.527 -9.169 -2.605 1.00 0.00 WT2 O ATOM 28031 H1 TIP3 1180 6.747 -7.019 1.609 1.00 0.00 WT2 H ATOM 28032 H2 TIP3 1180 -17.446 -1.065 5.014 1.00 0.00 WT2 H ATOM 28033 OH2 TIP3 1181 -0.984 -3.368 0.432 1.00 0.00 WT2 O ATOM 28034 H1 TIP3 1181 -19.643 -10.746 23.572 1.00 0.00 WT2 H ATOM 28035 H2 TIP3 1181 2.742 -15.454 -7.685 1.00 0.00 WT2 H ATOM 28036 OH2 TIP3 1183 -1.697 -0.271 1.943 1.00 0.00 WT2 O ATOM 28037 H1 TIP3 1183 15.506 -6.250 22.716 1.00 0.00 WT2 H ATOM 28038 H2 TIP3 1183 -6.219 2.889 -3.337 1.00 0.00 WT2 H ATOM 28039 OH2 TIP3 1185 -4.437 -0.569 -4.455 1.00 0.00 WT2 O ATOM 28040 H1 TIP3 1185 12.341 18.014 -6.971 1.00 0.00 WT2 H ATOM 28041 H2 TIP3 1185 2.378 10.088 -16.321 1.00 0.00 WT2 H ATOM 28042 OH2 TIP3 1197 5.328 0.125 2.296 1.00 0.00 WT2 O ATOM 28043 H1 TIP3 1197 7.579 -3.879 -1.431 1.00 0.00 WT2 H ATOM 28044 H2 TIP3 1197 10.384 -4.922 -6.899 1.00 0.00 WT2 H ATOM 28045 OH2 TIP3 1200 -2.503 -6.555 5.353 1.00 0.00 WT2 O ATOM 28046 H1 TIP3 1200 -0.478 -5.699 5.348 1.00 0.00 WT2 H ATOM 28047 H2 TIP3 1200 -17.325 5.111 5.102 1.00 0.00 WT2 H ATOM 28048 OH2 TIP3 1201 -0.543 -1.383 0.070 1.00 0.00 WT2 O ATOM 28049 H1 TIP3 1201 -7.773 -38.504 -7.145 1.00 0.00 WT2 H ATOM 28050 H2 TIP3 1201 -3.135 6.600 2.263 1.00 0.00 WT2 H ATOM 28051 OH2 TIP3 1202 -1.806 6.828 4.619 1.00 0.00 WT2 O ATOM 28052 H1 TIP3 1202 -0.924 0.912 8.401 1.00 0.00 WT2 H ATOM 28053 H2 TIP3 1202 0.450 -0.168 30.478 1.00 0.00 WT2 H ATOM 28054 OH2 TIP3 1203 0.169 -2.856 2.971 1.00 0.00 WT2 O ATOM 28055 H1 TIP3 1203 22.987 22.151 -20.397 1.00 0.00 WT2 H ATOM 28056 H2 TIP3 1203 7.126 -4.201 -0.450 1.00 0.00 WT2 H ATOM 28057 OH2 TIP3 1205 2.205 4.987 -2.593 1.00 0.00 WT2 O ATOM 28058 H1 TIP3 1205 -18.193 -10.260 -29.850 1.00 0.00 WT2 H ATOM 28059 H2 TIP3 1205 0.002 3.462 -5.474 1.00 0.00 WT2 H ATOM 28060 OH2 TIP3 1208 -0.201 4.232 1.117 1.00 0.00 WT2 O ATOM 28061 H1 TIP3 1208 1.758 -2.357 19.058 1.00 0.00 WT2 H ATOM 28062 H2 TIP3 1208 4.403 -17.039 12.532 1.00 0.00 WT2 H ATOM 28063 OH2 TIP3 1219 5.964 -1.060 -2.167 1.00 0.00 WT2 O ATOM 28064 H1 TIP3 1219 -10.803 -4.848 -5.245 1.00 0.00 WT2 H ATOM 28065 H2 TIP3 1219 5.941 -6.398 0.512 1.00 0.00 WT2 H ATOM 28066 OH2 TIP3 1220 -1.077 6.023 1.513 1.00 0.00 WT2 O ATOM 28067 H1 TIP3 1220 -7.282 -10.022 -3.525 1.00 0.00 WT2 H ATOM 28068 H2 TIP3 1220 13.054 10.531 1.485 1.00 0.00 WT2 H ATOM 28069 OH2 TIP3 1222 -2.610 0.095 2.832 1.00 0.00 WT2 O ATOM 28070 H1 TIP3 1222 10.809 -7.307 -12.086 1.00 0.00 WT2 H ATOM 28071 H2 TIP3 1222 -2.984 1.435 7.972 1.00 0.00 WT2 H ATOM 28072 OH2 TIP3 1223 3.850 0.468 -0.963 1.00 0.00 WT2 O ATOM 28073 H1 TIP3 1223 21.842 4.570 5.285 1.00 0.00 WT2 H ATOM 28074 H2 TIP3 1223 -13.070 -3.707 -23.113 1.00 0.00 WT2 H ATOM 28075 OH2 TIP3 1224 3.346 0.911 3.894 1.00 0.00 WT2 O ATOM 28076 H1 TIP3 1224 16.229 12.539 -26.166 1.00 0.00 WT2 H ATOM 28077 H2 TIP3 1224 -21.772 17.118 8.310 1.00 0.00 WT2 H ATOM 28078 OH2 TIP3 1225 -5.551 -0.399 -1.769 1.00 0.00 WT2 O ATOM 28079 H1 TIP3 1225 -12.674 7.632 -15.300 1.00 0.00 WT2 H ATOM 28080 H2 TIP3 1225 -17.190 0.840 9.840 1.00 0.00 WT2 H ATOM 28081 OH2 TIP3 1226 4.696 -2.423 -2.461 1.00 0.00 WT2 O ATOM 28082 H1 TIP3 1226 26.336 -10.879 7.126 1.00 0.00 WT2 H ATOM 28083 H2 TIP3 1226 6.270 10.544 -23.675 1.00 0.00 WT2 H ATOM 28084 OH2 TIP3 1227 7.405 -1.700 -5.356 1.00 0.00 WT2 O ATOM 28085 H1 TIP3 1227 8.086 -4.772 -9.779 1.00 0.00 WT2 H ATOM 28086 H2 TIP3 1227 14.384 -7.184 -2.810 1.00 0.00 WT2 H ATOM 28087 OH2 TIP3 1240 4.707 -2.742 1.450 1.00 0.00 WT2 O ATOM 28088 H1 TIP3 1240 -2.189 0.979 -5.077 1.00 0.00 WT2 H ATOM 28089 H2 TIP3 1240 5.839 -1.451 -0.061 1.00 0.00 WT2 H ATOM 28090 OH2 TIP3 1241 -0.007 -2.718 2.345 1.00 0.00 WT2 O ATOM 28091 H1 TIP3 1241 -8.035 -0.957 9.375 1.00 0.00 WT2 H ATOM 28092 H2 TIP3 1241 -11.564 -10.114 -1.406 1.00 0.00 WT2 H ATOM 28093 OH2 TIP3 1242 6.677 3.073 1.775 1.00 0.00 WT2 O ATOM 28094 H1 TIP3 1242 -1.969 -20.580 10.494 1.00 0.00 WT2 H ATOM 28095 H2 TIP3 1242 6.744 -23.863 -16.233 1.00 0.00 WT2 H ATOM 28096 OH2 TIP3 1243 1.802 -1.294 4.757 1.00 0.00 WT2 O ATOM 28097 H1 TIP3 1243 15.565 -26.241 26.503 1.00 0.00 WT2 H ATOM 28098 H2 TIP3 1243 -4.688 4.272 -11.751 1.00 0.00 WT2 H ATOM 28099 OH2 TIP3 1244 -5.321 -5.743 -1.715 1.00 0.00 WT2 O ATOM 28100 H1 TIP3 1244 -4.869 -17.545 -12.488 1.00 0.00 WT2 H ATOM 28101 H2 TIP3 1244 3.897 8.897 16.339 1.00 0.00 WT2 H ATOM 28102 OH2 TIP3 1247 -2.394 0.723 -6.313 1.00 0.00 WT2 O ATOM 28103 H1 TIP3 1247 -10.342 21.650 16.057 1.00 0.00 WT2 H ATOM 28104 H2 TIP3 1247 -9.025 -8.353 -2.503 1.00 0.00 WT2 H ATOM 28105 OH2 TIP3 1258 -1.463 -2.928 0.309 1.00 0.00 WT2 O ATOM 28106 H1 TIP3 1258 -5.511 4.504 -1.227 1.00 0.00 WT2 H ATOM 28107 H2 TIP3 1258 -0.506 -3.570 3.281 1.00 0.00 WT2 H ATOM 28108 OH2 TIP3 1263 -3.313 2.339 -1.331 1.00 0.00 WT2 O ATOM 28109 H1 TIP3 1263 0.836 14.058 10.039 1.00 0.00 WT2 H ATOM 28110 H2 TIP3 1263 3.545 14.887 8.507 1.00 0.00 WT2 H ATOM 28111 OH2 TIP3 1265 2.153 2.063 0.166 1.00 0.00 WT2 O ATOM 28112 H1 TIP3 1265 6.262 17.059 -5.830 1.00 0.00 WT2 H ATOM 28113 H2 TIP3 1265 0.141 5.073 -1.833 1.00 0.00 WT2 H ATOM 28114 OH2 TIP3 1266 2.420 2.274 1.315 1.00 0.00 WT2 O ATOM 28115 H1 TIP3 1266 25.300 -5.520 7.291 1.00 0.00 WT2 H ATOM 28116 H2 TIP3 1266 -7.356 14.974 -6.988 1.00 0.00 WT2 H ATOM 28117 OH2 TIP3 1267 -3.851 2.719 0.496 1.00 0.00 WT2 O ATOM 28118 H1 TIP3 1267 -4.664 -11.662 11.136 1.00 0.00 WT2 H ATOM 28119 H2 TIP3 1267 4.731 -10.356 -15.103 1.00 0.00 WT2 H ATOM 28120 OH2 TIP3 1268 0.228 5.155 1.978 1.00 0.00 WT2 O ATOM 28121 H1 TIP3 1268 -4.411 0.163 5.018 1.00 0.00 WT2 H ATOM 28122 H2 TIP3 1268 4.248 3.630 0.993 1.00 0.00 WT2 H ATOM 28123 OH2 TIP3 1271 8.610 -2.485 1.260 1.00 0.00 WT2 O ATOM 28124 H1 TIP3 1271 6.229 -12.651 -12.324 1.00 0.00 WT2 H ATOM 28125 H2 TIP3 1271 11.934 12.826 -13.447 1.00 0.00 WT2 H ATOM 28126 OH2 TIP3 1281 -3.028 7.403 0.776 1.00 0.00 WT2 O ATOM 28127 H1 TIP3 1281 10.973 3.902 0.524 1.00 0.00 WT2 H ATOM 28128 H2 TIP3 1281 7.819 8.119 5.022 1.00 0.00 WT2 H ATOM 28129 OH2 TIP3 1283 -8.900 -0.041 1.311 1.00 0.00 WT2 O ATOM 28130 H1 TIP3 1283 -8.038 -3.227 6.442 1.00 0.00 WT2 H ATOM 28131 H2 TIP3 1283 -14.346 2.034 2.480 1.00 0.00 WT2 H ATOM 28132 OH2 TIP3 1284 3.608 2.532 9.113 1.00 0.00 WT2 O ATOM 28133 H1 TIP3 1284 -8.462 5.162 3.977 1.00 0.00 WT2 H ATOM 28134 H2 TIP3 1284 -2.193 -3.694 4.617 1.00 0.00 WT2 H ATOM 28135 OH2 TIP3 1285 2.766 1.231 4.379 1.00 0.00 WT2 O ATOM 28136 H1 TIP3 1285 21.765 11.304 -4.149 1.00 0.00 WT2 H ATOM 28137 H2 TIP3 1285 1.961 -3.352 -2.883 1.00 0.00 WT2 H ATOM 28138 OH2 TIP3 1286 1.086 -6.787 -1.709 1.00 0.00 WT2 O ATOM 28139 H1 TIP3 1286 -4.771 -9.329 1.773 1.00 0.00 WT2 H ATOM 28140 H2 TIP3 1286 4.801 2.101 6.570 1.00 0.00 WT2 H ATOM 28141 OH2 TIP3 1301 -7.072 -2.663 2.105 1.00 0.00 WT2 O ATOM 28142 H1 TIP3 1301 2.251 -0.472 5.322 1.00 0.00 WT2 H ATOM 28143 H2 TIP3 1301 11.470 -5.401 -10.604 1.00 0.00 WT2 H ATOM 28144 OH2 TIP3 1303 0.634 9.395 -2.248 1.00 0.00 WT2 O ATOM 28145 H1 TIP3 1303 -6.906 -14.164 -26.901 1.00 0.00 WT2 H ATOM 28146 H2 TIP3 1303 3.205 9.140 -0.454 1.00 0.00 WT2 H ATOM 28147 OH2 TIP3 1304 -1.302 4.046 6.103 1.00 0.00 WT2 O ATOM 28148 H1 TIP3 1304 1.660 1.148 -2.577 1.00 0.00 WT2 H ATOM 28149 H2 TIP3 1304 4.496 -12.347 14.305 1.00 0.00 WT2 H ATOM 28150 OH2 TIP3 1305 0.763 1.077 1.833 1.00 0.00 WT2 O ATOM 28151 H1 TIP3 1305 0.659 1.077 2.585 1.00 0.00 WT2 H ATOM 28152 H2 TIP3 1305 3.958 -2.843 8.896 1.00 0.00 WT2 H ATOM 28153 OH2 TIP3 1306 -9.114 0.147 -0.102 1.00 0.00 WT2 O ATOM 28154 H1 TIP3 1306 -5.972 7.090 2.504 1.00 0.00 WT2 H ATOM 28155 H2 TIP3 1306 -13.372 0.760 -2.876 1.00 0.00 WT2 H ATOM 28156 OH2 TIP3 1307 -2.903 -5.018 6.274 1.00 0.00 WT2 O ATOM 28157 H1 TIP3 1307 -13.265 -12.843 -9.138 1.00 0.00 WT2 H ATOM 28158 H2 TIP3 1307 0.709 10.530 -11.337 1.00 0.00 WT2 H ATOM 28159 OH2 TIP3 1308 -1.410 9.544 0.252 1.00 0.00 WT2 O ATOM 28160 H1 TIP3 1308 -15.639 7.541 3.848 1.00 0.00 WT2 H ATOM 28161 H2 TIP3 1308 6.642 1.748 11.681 1.00 0.00 WT2 H ATOM 28162 OH2 TIP3 1322 2.738 1.056 1.671 1.00 0.00 WT2 O ATOM 28163 H1 TIP3 1322 0.898 5.839 8.573 1.00 0.00 WT2 H ATOM 28164 H2 TIP3 1322 0.353 10.594 -19.458 1.00 0.00 WT2 H ATOM 28165 OH2 TIP3 1324 2.474 -1.395 -3.431 1.00 0.00 WT2 O ATOM 28166 H1 TIP3 1324 -0.957 -4.764 11.826 1.00 0.00 WT2 H ATOM 28167 H2 TIP3 1324 13.501 -0.781 -1.075 1.00 0.00 WT2 H ATOM 28168 OH2 TIP3 1326 1.496 -0.741 -2.801 1.00 0.00 WT2 O ATOM 28169 H1 TIP3 1326 5.465 0.359 -14.473 1.00 0.00 WT2 H ATOM 28170 H2 TIP3 1326 -5.580 10.010 7.422 1.00 0.00 WT2 H ATOM 28171 OH2 TIP3 1327 7.447 -4.805 -2.736 1.00 0.00 WT2 O ATOM 28172 H1 TIP3 1327 -0.679 -21.594 4.541 1.00 0.00 WT2 H ATOM 28173 H2 TIP3 1327 11.116 -17.695 6.877 1.00 0.00 WT2 H ATOM 28174 OH2 TIP3 1328 0.405 3.751 -2.627 1.00 0.00 WT2 O ATOM 28175 H1 TIP3 1328 7.311 -4.213 5.553 1.00 0.00 WT2 H ATOM 28176 H2 TIP3 1328 6.221 11.234 -4.753 1.00 0.00 WT2 H ATOM 28177 OH2 TIP3 1329 -1.663 2.423 2.879 1.00 0.00 WT2 O ATOM 28178 H1 TIP3 1329 -0.963 -7.323 4.634 1.00 0.00 WT2 H ATOM 28179 H2 TIP3 1329 -11.732 -20.686 14.632 1.00 0.00 WT2 H ATOM 28180 OH2 TIP3 1330 1.934 -4.859 5.662 1.00 0.00 WT2 O ATOM 28181 H1 TIP3 1330 -11.359 7.271 -10.586 1.00 0.00 WT2 H ATOM 28182 H2 TIP3 1330 -0.475 -10.415 8.324 1.00 0.00 WT2 H ATOM 28183 OH2 TIP3 1333 0.641 4.575 2.981 1.00 0.00 WT2 O ATOM 28184 H1 TIP3 1333 -16.233 -22.050 0.843 1.00 0.00 WT2 H ATOM 28185 H2 TIP3 1333 -3.038 -6.040 10.776 1.00 0.00 WT2 H ATOM 28186 OH2 TIP3 1344 2.404 -2.285 1.486 1.00 0.00 WT2 O ATOM 28187 H1 TIP3 1344 8.261 1.642 2.049 1.00 0.00 WT2 H ATOM 28188 H2 TIP3 1344 -2.822 -6.616 -2.388 1.00 0.00 WT2 H ATOM 28189 OH2 TIP3 1345 5.164 2.548 2.803 1.00 0.00 WT2 O ATOM 28190 H1 TIP3 1345 4.868 0.227 11.021 1.00 0.00 WT2 H ATOM 28191 H2 TIP3 1345 6.412 8.005 2.464 1.00 0.00 WT2 H ATOM 28192 OH2 TIP3 1346 0.441 3.729 -6.274 1.00 0.00 WT2 O ATOM 28193 H1 TIP3 1346 8.285 2.239 -24.648 1.00 0.00 WT2 H ATOM 28194 H2 TIP3 1346 -6.086 3.203 5.484 1.00 0.00 WT2 H ATOM 28195 OH2 TIP3 1347 3.154 3.314 -1.325 1.00 0.00 WT2 O ATOM 28196 H1 TIP3 1347 15.300 19.651 3.942 1.00 0.00 WT2 H ATOM 28197 H2 TIP3 1347 -6.632 -4.240 7.850 1.00 0.00 WT2 H ATOM 28198 OH2 TIP3 1349 -0.415 -0.532 -2.570 1.00 0.00 WT2 O ATOM 28199 H1 TIP3 1349 20.750 7.932 -28.868 1.00 0.00 WT2 H ATOM 28200 H2 TIP3 1349 -6.739 -0.515 -13.818 1.00 0.00 WT2 H ATOM 28201 OH2 TIP3 1350 7.122 0.698 2.098 1.00 0.00 WT2 O ATOM 28202 H1 TIP3 1350 30.405 -10.697 -15.163 1.00 0.00 WT2 H ATOM 28203 H2 TIP3 1350 -14.380 -12.329 6.219 1.00 0.00 WT2 H ATOM 28204 OH2 TIP3 1351 -6.217 3.873 -5.095 1.00 0.00 WT2 O ATOM 28205 H1 TIP3 1351 -1.851 4.551 2.335 1.00 0.00 WT2 H ATOM 28206 H2 TIP3 1351 -3.080 -3.446 -11.291 1.00 0.00 WT2 H ATOM 28207 OH2 TIP3 1352 -1.686 0.091 6.120 1.00 0.00 WT2 O ATOM 28208 H1 TIP3 1352 1.072 10.919 -5.066 1.00 0.00 WT2 H ATOM 28209 H2 TIP3 1352 -0.412 -1.936 -16.919 1.00 0.00 WT2 H ATOM 28210 OH2 TIP3 1353 3.685 2.558 -4.092 1.00 0.00 WT2 O ATOM 28211 H1 TIP3 1353 -11.323 -0.780 17.209 1.00 0.00 WT2 H ATOM 28212 H2 TIP3 1353 0.011 2.096 2.112 1.00 0.00 WT2 H ATOM 28213 OH2 TIP3 1354 -6.406 -0.882 7.157 1.00 0.00 WT2 O ATOM 28214 H1 TIP3 1354 -22.938 -13.996 -4.551 1.00 0.00 WT2 H ATOM 28215 H2 TIP3 1354 -13.301 23.215 10.012 1.00 0.00 WT2 H ATOM 28216 OH2 TIP3 1367 -2.840 4.256 -8.707 1.00 0.00 WT2 O ATOM 28217 H1 TIP3 1367 0.091 1.484 -4.759 1.00 0.00 WT2 H ATOM 28218 H2 TIP3 1367 1.126 2.007 -4.918 1.00 0.00 WT2 H ATOM 28219 OH2 TIP3 1368 0.887 -0.551 0.283 1.00 0.00 WT2 O ATOM 28220 H1 TIP3 1368 -9.969 0.533 25.637 1.00 0.00 WT2 H ATOM 28221 H2 TIP3 1368 -7.397 -2.599 9.935 1.00 0.00 WT2 H ATOM 28222 OH2 TIP3 1370 -7.000 1.419 -0.636 1.00 0.00 WT2 O ATOM 28223 H1 TIP3 1370 -9.785 -16.163 19.150 1.00 0.00 WT2 H ATOM 28224 H2 TIP3 1370 -18.010 -5.465 23.944 1.00 0.00 WT2 H ATOM 28225 OH2 TIP3 1371 -0.671 1.578 -0.501 1.00 0.00 WT2 O ATOM 28226 H1 TIP3 1371 4.739 -11.281 -2.492 1.00 0.00 WT2 H ATOM 28227 H2 TIP3 1371 1.986 -6.521 -2.921 1.00 0.00 WT2 H ATOM 28228 OH2 TIP3 1373 2.550 -0.562 1.160 1.00 0.00 WT2 O ATOM 28229 H1 TIP3 1373 -9.786 3.301 18.172 1.00 0.00 WT2 H ATOM 28230 H2 TIP3 1373 -1.798 -17.012 7.163 1.00 0.00 WT2 H ATOM 28231 OH2 TIP3 1374 5.881 6.860 4.134 1.00 0.00 WT2 O ATOM 28232 H1 TIP3 1374 -17.162 19.841 -13.465 1.00 0.00 WT2 H ATOM 28233 H2 TIP3 1374 0.015 -26.582 -0.988 1.00 0.00 WT2 H ATOM 28234 OH2 TIP3 1375 -0.968 2.183 -1.592 1.00 0.00 WT2 O ATOM 28235 H1 TIP3 1375 0.359 1.656 -1.531 1.00 0.00 WT2 H ATOM 28236 H2 TIP3 1375 12.796 4.716 -1.681 1.00 0.00 WT2 H ATOM 28237 OH2 TIP3 1386 -2.984 3.300 -2.224 1.00 0.00 WT2 O ATOM 28238 H1 TIP3 1386 3.052 19.966 3.321 1.00 0.00 WT2 H ATOM 28239 H2 TIP3 1386 9.372 0.979 -16.397 1.00 0.00 WT2 H ATOM 28240 OH2 TIP3 1387 -3.911 -1.209 1.921 1.00 0.00 WT2 O ATOM 28241 H1 TIP3 1387 -4.836 -4.978 7.207 1.00 0.00 WT2 H ATOM 28242 H2 TIP3 1387 -2.174 4.765 -1.734 1.00 0.00 WT2 H ATOM 28243 OH2 TIP3 1388 1.309 2.467 4.030 1.00 0.00 WT2 O ATOM 28244 H1 TIP3 1388 -11.157 -10.937 10.352 1.00 0.00 WT2 H ATOM 28245 H2 TIP3 1388 -3.676 6.775 -10.399 1.00 0.00 WT2 H ATOM 28246 OH2 TIP3 1389 3.703 -2.734 0.055 1.00 0.00 WT2 O ATOM 28247 H1 TIP3 1389 10.104 -5.586 -1.074 1.00 0.00 WT2 H ATOM 28248 H2 TIP3 1389 -3.487 1.916 0.908 1.00 0.00 WT2 H ATOM 28249 OH2 TIP3 1392 -0.474 -1.405 4.235 1.00 0.00 WT2 O ATOM 28250 H1 TIP3 1392 -25.985 1.397 -11.481 1.00 0.00 WT2 H ATOM 28251 H2 TIP3 1392 -19.151 2.033 -4.618 1.00 0.00 WT2 H ATOM 28252 OH2 TIP3 1393 -5.647 1.436 0.572 1.00 0.00 WT2 O ATOM 28253 H1 TIP3 1393 6.717 -1.977 -8.899 1.00 0.00 WT2 H ATOM 28254 H2 TIP3 1393 -2.196 -31.960 -14.151 1.00 0.00 WT2 H ATOM 28255 OH2 TIP3 1407 0.233 -1.293 3.561 1.00 0.00 WT2 O ATOM 28256 H1 TIP3 1407 3.856 5.822 -5.815 1.00 0.00 WT2 H ATOM 28257 H2 TIP3 1407 4.081 -2.184 -8.365 1.00 0.00 WT2 H ATOM 28258 OH2 TIP3 1408 -0.041 6.197 -3.094 1.00 0.00 WT2 O ATOM 28259 H1 TIP3 1408 2.162 9.297 0.230 1.00 0.00 WT2 H ATOM 28260 H2 TIP3 1408 -0.846 1.842 -5.490 1.00 0.00 WT2 H ATOM 28261 OH2 TIP3 1411 0.238 -2.713 -0.997 1.00 0.00 WT2 O ATOM 28262 H1 TIP3 1411 9.002 21.568 7.980 1.00 0.00 WT2 H ATOM 28263 H2 TIP3 1411 3.814 -3.604 -7.363 1.00 0.00 WT2 H ATOM 28264 OH2 TIP3 1412 -5.534 1.258 3.659 1.00 0.00 WT2 O ATOM 28265 H1 TIP3 1412 6.133 -21.203 5.987 1.00 0.00 WT2 H ATOM 28266 H2 TIP3 1412 0.602 -15.958 -3.102 1.00 0.00 WT2 H ATOM 28267 OH2 TIP3 1413 -0.222 -5.606 3.822 1.00 0.00 WT2 O ATOM 28268 H1 TIP3 1413 5.206 -15.237 0.772 1.00 0.00 WT2 H ATOM 28269 H2 TIP3 1413 4.879 0.146 -4.332 1.00 0.00 WT2 H ATOM 28270 OH2 TIP3 1414 1.976 -5.441 -3.724 1.00 0.00 WT2 O ATOM 28271 H1 TIP3 1414 23.461 23.202 -3.588 1.00 0.00 WT2 H ATOM 28272 H2 TIP3 1414 -30.767 7.664 -4.057 1.00 0.00 WT2 H ATOM 28273 OH2 TIP3 1415 -2.939 0.824 6.796 1.00 0.00 WT2 O ATOM 28274 H1 TIP3 1415 -4.116 -0.872 8.752 1.00 0.00 WT2 H ATOM 28275 H2 TIP3 1415 -9.895 28.136 1.788 1.00 0.00 WT2 H ATOM 28276 OH2 TIP3 1418 -0.799 4.990 -1.642 1.00 0.00 WT2 O ATOM 28277 H1 TIP3 1418 -3.923 -10.046 -11.905 1.00 0.00 WT2 H ATOM 28278 H2 TIP3 1418 6.582 -1.743 13.220 1.00 0.00 WT2 H ATOM 28279 OH2 TIP3 1425 -2.789 -9.958 -2.623 1.00 0.00 WT2 O ATOM 28280 H1 TIP3 1425 7.375 -0.843 15.882 1.00 0.00 WT2 H ATOM 28281 H2 TIP3 1425 -3.272 -8.370 6.797 1.00 0.00 WT2 H ATOM 28282 OH2 TIP3 1427 -2.062 -6.886 -0.706 1.00 0.00 WT2 O ATOM 28283 H1 TIP3 1427 -4.545 -9.638 -3.577 1.00 0.00 WT2 H ATOM 28284 H2 TIP3 1427 22.154 -1.767 3.464 1.00 0.00 WT2 H ATOM 28285 OH2 TIP3 1428 -2.835 0.188 -6.796 1.00 0.00 WT2 O ATOM 28286 H1 TIP3 1428 -5.217 -2.125 7.500 1.00 0.00 WT2 H ATOM 28287 H2 TIP3 1428 9.635 -5.812 -8.471 1.00 0.00 WT2 H ATOM 28288 OH2 TIP3 1429 3.852 3.097 -3.083 1.00 0.00 WT2 O ATOM 28289 H1 TIP3 1429 5.075 7.288 5.603 1.00 0.00 WT2 H ATOM 28290 H2 TIP3 1429 10.946 -2.557 -18.235 1.00 0.00 WT2 H ATOM 28291 OH2 TIP3 1430 2.860 2.163 1.069 1.00 0.00 WT2 O ATOM 28292 H1 TIP3 1430 -1.108 4.202 2.087 1.00 0.00 WT2 H ATOM 28293 H2 TIP3 1430 7.550 -0.723 -2.038 1.00 0.00 WT2 H ATOM 28294 OH2 TIP3 1431 3.006 -2.540 -0.113 1.00 0.00 WT2 O ATOM 28295 H1 TIP3 1431 14.048 -6.957 32.947 1.00 0.00 WT2 H ATOM 28296 H2 TIP3 1431 -11.994 -7.007 -0.246 1.00 0.00 WT2 H ATOM 28297 OH2 TIP3 1432 1.483 -2.044 0.168 1.00 0.00 WT2 O ATOM 28298 H1 TIP3 1432 -5.607 -8.452 8.508 1.00 0.00 WT2 H ATOM 28299 H2 TIP3 1432 21.620 12.420 -22.247 1.00 0.00 WT2 H ATOM 28300 OH2 TIP3 1433 -0.464 -6.588 -5.061 1.00 0.00 WT2 O ATOM 28301 H1 TIP3 1433 14.074 -4.815 -11.606 1.00 0.00 WT2 H ATOM 28302 H2 TIP3 1433 4.925 2.998 2.613 1.00 0.00 WT2 H ATOM 28303 OH2 TIP3 1435 -0.028 -4.295 -6.103 1.00 0.00 WT2 O ATOM 28304 H1 TIP3 1435 -12.691 9.678 -4.746 1.00 0.00 WT2 H ATOM 28305 H2 TIP3 1435 2.199 -6.618 -0.409 1.00 0.00 WT2 H ATOM 28306 OH2 TIP3 1440 -6.780 2.688 -0.650 1.00 0.00 WT2 O ATOM 28307 H1 TIP3 1440 0.691 -10.371 -8.151 1.00 0.00 WT2 H ATOM 28308 H2 TIP3 1440 -8.950 -6.243 3.674 1.00 0.00 WT2 H ATOM 28309 OH2 TIP3 1450 -2.458 -0.842 -3.600 1.00 0.00 WT2 O ATOM 28310 H1 TIP3 1450 -12.659 -4.257 -20.386 1.00 0.00 WT2 H ATOM 28311 H2 TIP3 1450 -11.646 -6.426 16.520 1.00 0.00 WT2 H ATOM 28312 OH2 TIP3 1451 2.968 2.326 3.115 1.00 0.00 WT2 O ATOM 28313 H1 TIP3 1451 -2.451 20.217 37.082 1.00 0.00 WT2 H ATOM 28314 H2 TIP3 1451 11.205 -7.136 -9.360 1.00 0.00 WT2 H ATOM 28315 OH2 TIP3 1452 -5.430 5.783 0.871 1.00 0.00 WT2 O ATOM 28316 H1 TIP3 1452 -18.167 15.691 17.664 1.00 0.00 WT2 H ATOM 28317 H2 TIP3 1452 -2.737 -17.213 9.320 1.00 0.00 WT2 H ATOM 28318 OH2 TIP3 1453 3.268 -3.202 -2.212 1.00 0.00 WT2 O ATOM 28319 H1 TIP3 1453 -21.518 -16.291 -4.848 1.00 0.00 WT2 H ATOM 28320 H2 TIP3 1453 3.751 -15.781 11.787 1.00 0.00 WT2 H ATOM 28321 OH2 TIP3 1454 -1.978 4.636 -3.931 1.00 0.00 WT2 O ATOM 28322 H1 TIP3 1454 -24.752 13.125 5.146 1.00 0.00 WT2 H ATOM 28323 H2 TIP3 1454 -7.564 7.226 -7.384 1.00 0.00 WT2 H ATOM 28324 OH2 TIP3 1457 -2.511 3.679 9.070 1.00 0.00 WT2 O ATOM 28325 H1 TIP3 1457 -20.666 25.060 15.817 1.00 0.00 WT2 H ATOM 28326 H2 TIP3 1457 0.769 -4.598 7.275 1.00 0.00 WT2 H ATOM 28327 OH2 TIP3 1458 0.663 -3.828 3.875 1.00 0.00 WT2 O ATOM 28328 H1 TIP3 1458 -22.343 -9.649 -10.820 1.00 0.00 WT2 H ATOM 28329 H2 TIP3 1458 5.403 -35.229 17.161 1.00 0.00 WT2 H ATOM 28330 OH2 TIP3 1466 10.367 -3.798 7.647 1.00 0.00 WT2 O ATOM 28331 H1 TIP3 1466 15.005 -0.880 11.282 1.00 0.00 WT2 H ATOM 28332 H2 TIP3 1466 12.049 -4.096 16.118 1.00 0.00 WT2 H ATOM 28333 OH2 TIP3 1471 -6.314 5.160 -0.524 1.00 0.00 WT2 O ATOM 28334 H1 TIP3 1471 2.123 -2.817 1.274 1.00 0.00 WT2 H ATOM 28335 H2 TIP3 1471 -5.835 13.503 6.649 1.00 0.00 WT2 H ATOM 28336 OH2 TIP3 1474 -0.505 2.868 -4.574 1.00 0.00 WT2 O ATOM 28337 H1 TIP3 1474 25.792 5.623 -4.009 1.00 0.00 WT2 H ATOM 28338 H2 TIP3 1474 -26.587 8.822 -16.018 1.00 0.00 WT2 H ATOM 28339 OH2 TIP3 1477 4.242 -1.598 -0.172 1.00 0.00 WT2 O ATOM 28340 H1 TIP3 1477 1.987 -0.928 -3.791 1.00 0.00 WT2 H ATOM 28341 H2 TIP3 1477 3.617 -0.878 -1.722 1.00 0.00 WT2 H ATOM 28342 OH2 TIP3 1478 1.852 3.965 -6.049 1.00 0.00 WT2 O ATOM 28343 H1 TIP3 1478 -39.284 -16.048 8.547 1.00 0.00 WT2 H ATOM 28344 H2 TIP3 1478 -1.954 13.262 14.855 1.00 0.00 WT2 H ATOM 28345 OH2 TIP3 1480 -4.205 -3.013 3.598 1.00 0.00 WT2 O ATOM 28346 H1 TIP3 1480 -8.141 2.835 -16.875 1.00 0.00 WT2 H ATOM 28347 H2 TIP3 1480 3.897 1.033 -6.173 1.00 0.00 WT2 H ATOM 28348 OH2 TIP3 1492 -5.441 -0.704 2.066 1.00 0.00 WT2 O ATOM 28349 H1 TIP3 1492 -10.411 -8.283 4.227 1.00 0.00 WT2 H ATOM 28350 H2 TIP3 1492 -11.343 -15.543 10.001 1.00 0.00 WT2 H ATOM 28351 OH2 TIP3 1493 2.339 -0.997 -7.011 1.00 0.00 WT2 O ATOM 28352 H1 TIP3 1493 11.099 -4.901 -11.623 1.00 0.00 WT2 H ATOM 28353 H2 TIP3 1493 -21.330 13.741 0.056 1.00 0.00 WT2 H ATOM 28354 OH2 TIP3 1494 2.533 2.124 -7.622 1.00 0.00 WT2 O ATOM 28355 H1 TIP3 1494 -2.482 -3.235 -13.372 1.00 0.00 WT2 H ATOM 28356 H2 TIP3 1494 -5.402 7.044 -7.754 1.00 0.00 WT2 H ATOM 28357 OH2 TIP3 1496 -1.139 -5.781 -0.219 1.00 0.00 WT2 O ATOM 28358 H1 TIP3 1496 -8.788 -7.746 1.382 1.00 0.00 WT2 H ATOM 28359 H2 TIP3 1496 0.929 -1.172 -2.315 1.00 0.00 WT2 H ATOM 28360 OH2 TIP3 1497 -2.998 1.133 7.489 1.00 0.00 WT2 O ATOM 28361 H1 TIP3 1497 1.902 0.357 24.566 1.00 0.00 WT2 H ATOM 28362 H2 TIP3 1497 -8.131 -2.449 -5.285 1.00 0.00 WT2 H ATOM 28363 OH2 TIP3 1499 -3.665 -1.927 0.348 1.00 0.00 WT2 O ATOM 28364 H1 TIP3 1499 -8.176 6.177 -9.617 1.00 0.00 WT2 H ATOM 28365 H2 TIP3 1499 -8.033 12.956 -18.641 1.00 0.00 WT2 H ATOM 28366 OH2 TIP3 1512 0.041 -0.024 -3.131 1.00 0.00 WT2 O ATOM 28367 H1 TIP3 1512 3.711 8.617 14.227 1.00 0.00 WT2 H ATOM 28368 H2 TIP3 1512 -13.023 -10.443 3.379 1.00 0.00 WT2 H ATOM 28369 OH2 TIP3 1514 2.065 -2.780 0.308 1.00 0.00 WT2 O ATOM 28370 H1 TIP3 1514 48.064 -10.836 12.707 1.00 0.00 WT2 H ATOM 28371 H2 TIP3 1514 -7.902 14.945 5.858 1.00 0.00 WT2 H ATOM 28372 OH2 TIP3 1515 -0.901 -1.232 -5.869 1.00 0.00 WT2 O ATOM 28373 H1 TIP3 1515 0.338 -0.634 2.374 1.00 0.00 WT2 H ATOM 28374 H2 TIP3 1515 4.127 -2.362 -12.083 1.00 0.00 WT2 H ATOM 28375 OH2 TIP3 1519 3.072 0.878 3.957 1.00 0.00 WT2 O ATOM 28376 H1 TIP3 1519 5.598 -10.161 -3.984 1.00 0.00 WT2 H ATOM 28377 H2 TIP3 1519 -4.583 -16.869 5.828 1.00 0.00 WT2 H ATOM 28378 OH2 TIP3 1531 3.339 -1.603 1.591 1.00 0.00 WT2 O ATOM 28379 H1 TIP3 1531 6.960 13.124 -0.552 1.00 0.00 WT2 H ATOM 28380 H2 TIP3 1531 0.875 12.757 1.204 1.00 0.00 WT2 H ATOM 28381 OH2 TIP3 1532 6.000 4.765 -2.811 1.00 0.00 WT2 O ATOM 28382 H1 TIP3 1532 -1.227 8.812 -10.588 1.00 0.00 WT2 H ATOM 28383 H2 TIP3 1532 -8.483 7.437 -1.911 1.00 0.00 WT2 H ATOM 28384 OH2 TIP3 1534 1.056 0.469 -0.764 1.00 0.00 WT2 O ATOM 28385 H1 TIP3 1534 -17.849 9.685 -15.344 1.00 0.00 WT2 H ATOM 28386 H2 TIP3 1534 22.552 17.046 4.922 1.00 0.00 WT2 H ATOM 28387 OH2 TIP3 1535 -3.432 0.383 2.795 1.00 0.00 WT2 O ATOM 28388 H1 TIP3 1535 -20.916 5.116 -9.775 1.00 0.00 WT2 H ATOM 28389 H2 TIP3 1535 12.593 0.460 -7.301 1.00 0.00 WT2 H ATOM 28390 OH2 TIP3 1536 4.486 0.512 4.504 1.00 0.00 WT2 O ATOM 28391 H1 TIP3 1536 8.778 11.215 19.917 1.00 0.00 WT2 H ATOM 28392 H2 TIP3 1536 -15.767 3.345 10.131 1.00 0.00 WT2 H ATOM 28393 OH2 TIP3 1537 -5.908 4.563 3.529 1.00 0.00 WT2 O ATOM 28394 H1 TIP3 1537 -6.026 -6.004 -6.497 1.00 0.00 WT2 H ATOM 28395 H2 TIP3 1537 -10.622 10.342 9.051 1.00 0.00 WT2 H ATOM 28396 OH2 TIP3 1538 -4.255 -1.290 -2.170 1.00 0.00 WT2 O ATOM 28397 H1 TIP3 1538 7.637 -20.805 4.595 1.00 0.00 WT2 H ATOM 28398 H2 TIP3 1538 -4.831 16.791 -14.974 1.00 0.00 WT2 H ATOM 28399 OH2 TIP3 1539 0.075 -4.626 -7.383 1.00 0.00 WT2 O ATOM 28400 H1 TIP3 1539 -19.390 24.011 -23.628 1.00 0.00 WT2 H ATOM 28401 H2 TIP3 1539 8.990 16.047 1.314 1.00 0.00 WT2 H ATOM 28402 OH2 TIP3 1540 -0.082 -0.657 -2.441 1.00 0.00 WT2 O ATOM 28403 H1 TIP3 1540 6.356 6.055 -10.053 1.00 0.00 WT2 H ATOM 28404 H2 TIP3 1540 -4.941 -0.969 -9.724 1.00 0.00 WT2 H ATOM 28405 OH2 TIP3 1551 -3.131 0.159 -5.032 1.00 0.00 WT2 O ATOM 28406 H1 TIP3 1551 -5.173 20.102 -11.753 1.00 0.00 WT2 H ATOM 28407 H2 TIP3 1551 -9.964 -6.011 -15.010 1.00 0.00 WT2 H ATOM 28408 OH2 TIP3 1552 0.208 -9.357 -1.176 1.00 0.00 WT2 O ATOM 28409 H1 TIP3 1552 -0.652 -11.516 0.371 1.00 0.00 WT2 H ATOM 28410 H2 TIP3 1552 4.583 -7.196 -5.244 1.00 0.00 WT2 H ATOM 28411 OH2 TIP3 1555 -0.472 1.662 0.404 1.00 0.00 WT2 O ATOM 28412 H1 TIP3 1555 -0.801 11.807 17.962 1.00 0.00 WT2 H ATOM 28413 H2 TIP3 1555 3.356 -6.565 -12.471 1.00 0.00 WT2 H ATOM 28414 OH2 TIP3 1558 1.438 -5.241 -2.244 1.00 0.00 WT2 O ATOM 28415 H1 TIP3 1558 3.401 -0.662 -18.855 1.00 0.00 WT2 H ATOM 28416 H2 TIP3 1558 -2.061 12.396 -1.925 1.00 0.00 WT2 H ATOM 28417 OH2 TIP3 1559 -0.361 3.770 -2.537 1.00 0.00 WT2 O ATOM 28418 H1 TIP3 1559 -13.359 2.288 -2.170 1.00 0.00 WT2 H ATOM 28419 H2 TIP3 1559 -9.074 -6.454 -8.236 1.00 0.00 WT2 H ATOM 28420 OH2 TIP3 1560 -4.846 -4.126 -7.913 1.00 0.00 WT2 O ATOM 28421 H1 TIP3 1560 5.833 -12.403 -3.565 1.00 0.00 WT2 H ATOM 28422 H2 TIP3 1560 -3.157 -6.376 -5.510 1.00 0.00 WT2 H ATOM 28423 OH2 TIP3 1561 5.842 -2.702 0.264 1.00 0.00 WT2 O ATOM 28424 H1 TIP3 1561 -22.116 -3.044 15.928 1.00 0.00 WT2 H ATOM 28425 H2 TIP3 1561 0.437 -1.022 5.464 1.00 0.00 WT2 H ATOM 28426 OH2 TIP3 1576 6.455 3.831 -1.259 1.00 0.00 WT2 O ATOM 28427 H1 TIP3 1576 -3.007 -7.981 -3.662 1.00 0.00 WT2 H ATOM 28428 H2 TIP3 1576 -11.369 -12.886 0.015 1.00 0.00 WT2 H ATOM 28429 OH2 TIP3 1577 -4.487 7.583 -2.930 1.00 0.00 WT2 O ATOM 28430 H1 TIP3 1577 19.773 -0.293 -4.435 1.00 0.00 WT2 H ATOM 28431 H2 TIP3 1577 6.418 36.903 -8.141 1.00 0.00 WT2 H ATOM 28432 OH2 TIP3 1578 2.486 5.676 -5.791 1.00 0.00 WT2 O ATOM 28433 H1 TIP3 1578 0.638 3.323 10.393 1.00 0.00 WT2 H ATOM 28434 H2 TIP3 1578 -1.745 28.278 -27.261 1.00 0.00 WT2 H ATOM 28435 OH2 TIP3 1579 -0.603 -0.645 -7.074 1.00 0.00 WT2 O ATOM 28436 H1 TIP3 1579 2.781 2.026 -24.331 1.00 0.00 WT2 H ATOM 28437 H2 TIP3 1579 -12.052 13.152 10.681 1.00 0.00 WT2 H ATOM 28438 OH2 TIP3 1580 3.194 2.100 4.306 1.00 0.00 WT2 O ATOM 28439 H1 TIP3 1580 0.168 -0.115 8.267 1.00 0.00 WT2 H ATOM 28440 H2 TIP3 1580 6.376 6.846 3.962 1.00 0.00 WT2 H ATOM 28441 OH2 TIP3 1582 2.006 -2.923 -6.207 1.00 0.00 WT2 O ATOM 28442 H1 TIP3 1582 -10.303 17.281 -2.507 1.00 0.00 WT2 H ATOM 28443 H2 TIP3 1582 -1.303 2.674 -5.247 1.00 0.00 WT2 H ATOM 28444 OH2 TIP3 1583 -9.991 2.446 -2.838 1.00 0.00 WT2 O ATOM 28445 H1 TIP3 1583 -7.278 7.330 5.141 1.00 0.00 WT2 H ATOM 28446 H2 TIP3 1583 -13.104 -2.409 -3.654 1.00 0.00 WT2 H ATOM 28447 OH2 TIP3 1599 -1.684 -1.573 3.995 1.00 0.00 WT2 O ATOM 28448 H1 TIP3 1599 -19.250 12.907 5.516 1.00 0.00 WT2 H ATOM 28449 H2 TIP3 1599 8.315 -4.416 -3.698 1.00 0.00 WT2 H ATOM 28450 OH2 TIP3 1601 3.556 -0.587 0.164 1.00 0.00 WT2 O ATOM 28451 H1 TIP3 1601 1.321 6.642 26.449 1.00 0.00 WT2 H ATOM 28452 H2 TIP3 1601 6.121 -7.811 -18.400 1.00 0.00 WT2 H ATOM 28453 OH2 TIP3 1604 1.676 2.969 -6.789 1.00 0.00 WT2 O ATOM 28454 H1 TIP3 1604 -21.476 17.951 1.122 1.00 0.00 WT2 H ATOM 28455 H2 TIP3 1604 -20.082 24.514 -2.072 1.00 0.00 WT2 H ATOM 28456 OH2 TIP3 1605 3.180 4.830 -3.916 1.00 0.00 WT2 O ATOM 28457 H1 TIP3 1605 4.979 29.174 12.242 1.00 0.00 WT2 H ATOM 28458 H2 TIP3 1605 -3.105 14.108 -9.176 1.00 0.00 WT2 H ATOM 28459 OH2 TIP3 1616 2.948 1.764 -2.301 1.00 0.00 WT2 O ATOM 28460 H1 TIP3 1616 -9.676 -3.298 0.918 1.00 0.00 WT2 H ATOM 28461 H2 TIP3 1616 2.215 -9.729 -1.290 1.00 0.00 WT2 H ATOM 28462 OH2 TIP3 1617 4.367 -1.204 0.268 1.00 0.00 WT2 O ATOM 28463 H1 TIP3 1617 10.161 1.655 -6.092 1.00 0.00 WT2 H ATOM 28464 H2 TIP3 1617 -22.957 19.033 -5.343 1.00 0.00 WT2 H ATOM 28465 OH2 TIP3 1618 0.015 -2.546 -9.781 1.00 0.00 WT2 O ATOM 28466 H1 TIP3 1618 0.112 -3.249 -6.615 1.00 0.00 WT2 H ATOM 28467 H2 TIP3 1618 0.050 -3.089 -7.425 1.00 0.00 WT2 H ATOM 28468 OH2 TIP3 1620 3.290 5.926 -1.500 1.00 0.00 WT2 O ATOM 28469 H1 TIP3 1620 9.822 10.691 -24.592 1.00 0.00 WT2 H ATOM 28470 H2 TIP3 1620 12.064 17.302 -6.413 1.00 0.00 WT2 H ATOM 28471 OH2 TIP3 1621 1.989 2.261 0.821 1.00 0.00 WT2 O ATOM 28472 H1 TIP3 1621 9.668 -0.238 8.181 1.00 0.00 WT2 H ATOM 28473 H2 TIP3 1621 -4.769 -0.891 -1.183 1.00 0.00 WT2 H ATOM 28474 OH2 TIP3 1622 0.941 -4.053 -2.668 1.00 0.00 WT2 O ATOM 28475 H1 TIP3 1622 -6.859 -2.381 4.260 1.00 0.00 WT2 H ATOM 28476 H2 TIP3 1622 -0.410 -3.824 -1.146 1.00 0.00 WT2 H ATOM 28477 OH2 TIP3 1623 -2.380 5.245 -4.687 1.00 0.00 WT2 O ATOM 28478 H1 TIP3 1623 5.463 -0.688 10.820 1.00 0.00 WT2 H ATOM 28479 H2 TIP3 1623 -11.221 -5.491 11.024 1.00 0.00 WT2 H ATOM 28480 OH2 TIP3 1624 -1.813 -3.148 1.840 1.00 0.00 WT2 O ATOM 28481 H1 TIP3 1624 11.657 -12.559 23.547 1.00 0.00 WT2 H ATOM 28482 H2 TIP3 1624 4.196 7.728 9.879 1.00 0.00 WT2 H ATOM 28483 OH2 TIP3 1625 0.929 -9.718 4.037 1.00 0.00 WT2 O ATOM 28484 H1 TIP3 1625 -23.112 -10.558 3.102 1.00 0.00 WT2 H ATOM 28485 H2 TIP3 1625 26.715 -7.791 0.118 1.00 0.00 WT2 H ATOM 28486 OH2 TIP3 1628 5.629 0.708 4.930 1.00 0.00 WT2 O ATOM 28487 H1 TIP3 1628 -3.900 6.172 -3.550 1.00 0.00 WT2 H ATOM 28488 H2 TIP3 1628 6.208 -2.228 5.996 1.00 0.00 WT2 H ATOM 28489 OH2 TIP3 1638 -4.776 0.556 1.836 1.00 0.00 WT2 O ATOM 28490 H1 TIP3 1638 -3.183 10.555 -4.260 1.00 0.00 WT2 H ATOM 28491 H2 TIP3 1638 -6.946 -10.137 28.609 1.00 0.00 WT2 H ATOM 28492 OH2 TIP3 1639 -6.035 3.264 -5.457 1.00 0.00 WT2 O ATOM 28493 H1 TIP3 1639 -5.303 -4.187 -7.510 1.00 0.00 WT2 H ATOM 28494 H2 TIP3 1639 -12.131 9.687 -17.026 1.00 0.00 WT2 H ATOM 28495 OH2 TIP3 1640 1.249 2.563 0.928 1.00 0.00 WT2 O ATOM 28496 H1 TIP3 1640 1.156 4.558 -8.094 1.00 0.00 WT2 H ATOM 28497 H2 TIP3 1640 -9.146 8.633 -0.031 1.00 0.00 WT2 H ATOM 28498 OH2 TIP3 1641 3.805 -1.585 1.040 1.00 0.00 WT2 O ATOM 28499 H1 TIP3 1641 7.716 23.670 -9.239 1.00 0.00 WT2 H ATOM 28500 H2 TIP3 1641 9.925 12.002 -9.754 1.00 0.00 WT2 H ATOM 28501 OH2 TIP3 1643 -3.309 -5.664 -1.237 1.00 0.00 WT2 O ATOM 28502 H1 TIP3 1643 -10.282 0.463 -8.341 1.00 0.00 WT2 H ATOM 28503 H2 TIP3 1643 10.509 -12.114 1.919 1.00 0.00 WT2 H ATOM 28504 OH2 TIP3 1645 1.674 6.266 7.039 1.00 0.00 WT2 O ATOM 28505 H1 TIP3 1645 9.714 14.123 14.392 1.00 0.00 WT2 H ATOM 28506 H2 TIP3 1645 9.936 0.649 -2.592 1.00 0.00 WT2 H ATOM 28507 OH2 TIP3 1647 -1.459 0.201 0.739 1.00 0.00 WT2 O ATOM 28508 H1 TIP3 1647 -26.335 30.598 -11.762 1.00 0.00 WT2 H ATOM 28509 H2 TIP3 1647 -14.649 13.684 5.144 1.00 0.00 WT2 H ATOM 28510 OH2 TIP3 1648 2.332 6.686 1.886 1.00 0.00 WT2 O ATOM 28511 H1 TIP3 1648 8.522 -0.174 -1.277 1.00 0.00 WT2 H ATOM 28512 H2 TIP3 1648 10.706 -2.484 -1.095 1.00 0.00 WT2 H ATOM 28513 OH2 TIP3 1656 1.558 3.028 2.943 1.00 0.00 WT2 O ATOM 28514 H1 TIP3 1656 1.092 2.769 12.870 1.00 0.00 WT2 H ATOM 28515 H2 TIP3 1656 6.044 5.680 2.478 1.00 0.00 WT2 H ATOM 28516 OH2 TIP3 1658 4.265 -3.106 -3.586 1.00 0.00 WT2 O ATOM 28517 H1 TIP3 1658 13.217 10.131 -5.267 1.00 0.00 WT2 H ATOM 28518 H2 TIP3 1658 -7.441 -2.278 -24.729 1.00 0.00 WT2 H ATOM 28519 OH2 TIP3 1659 3.873 2.219 8.190 1.00 0.00 WT2 O ATOM 28520 H1 TIP3 1659 -2.595 9.784 0.724 1.00 0.00 WT2 H ATOM 28521 H2 TIP3 1659 -3.676 1.097 10.797 1.00 0.00 WT2 H ATOM 28522 OH2 TIP3 1661 -6.171 4.980 2.785 1.00 0.00 WT2 O ATOM 28523 H1 TIP3 1661 -31.604 8.674 -8.502 1.00 0.00 WT2 H ATOM 28524 H2 TIP3 1661 -16.210 -2.835 -21.195 1.00 0.00 WT2 H ATOM 28525 OH2 TIP3 1662 1.676 -2.128 8.473 1.00 0.00 WT2 O ATOM 28526 H1 TIP3 1662 -4.003 7.325 24.262 1.00 0.00 WT2 H ATOM 28527 H2 TIP3 1662 3.445 -3.835 21.976 1.00 0.00 WT2 H ATOM 28528 OH2 TIP3 1663 -4.302 -0.320 -3.819 1.00 0.00 WT2 O ATOM 28529 H1 TIP3 1663 23.666 13.239 1.066 1.00 0.00 WT2 H ATOM 28530 H2 TIP3 1663 -23.995 -12.835 -10.801 1.00 0.00 WT2 H ATOM 28531 OH2 TIP3 1664 -9.475 -0.991 -1.860 1.00 0.00 WT2 O ATOM 28532 H1 TIP3 1664 -17.536 1.515 14.352 1.00 0.00 WT2 H ATOM 28533 H2 TIP3 1664 -14.399 16.427 -21.947 1.00 0.00 WT2 H ATOM 28534 OH2 TIP3 1665 2.170 -0.931 0.136 1.00 0.00 WT2 O ATOM 28535 H1 TIP3 1665 4.268 -3.823 10.055 1.00 0.00 WT2 H ATOM 28536 H2 TIP3 1665 2.809 9.011 -10.749 1.00 0.00 WT2 H ATOM 28537 OH2 TIP3 1666 3.944 -1.877 -3.214 1.00 0.00 WT2 O ATOM 28538 H1 TIP3 1666 -11.116 18.068 11.673 1.00 0.00 WT2 H ATOM 28539 H2 TIP3 1666 -6.406 5.846 26.100 1.00 0.00 WT2 H ATOM 28540 OH2 TIP3 1667 0.230 0.764 -2.719 1.00 0.00 WT2 O ATOM 28541 H1 TIP3 1667 7.237 -3.161 6.029 1.00 0.00 WT2 H ATOM 28542 H2 TIP3 1667 4.589 11.878 6.355 1.00 0.00 WT2 H ATOM 28543 OH2 TIP3 1681 0.050 -2.589 1.398 1.00 0.00 WT2 O ATOM 28544 H1 TIP3 1681 -10.736 14.788 -6.216 1.00 0.00 WT2 H ATOM 28545 H2 TIP3 1681 -9.864 -19.207 11.680 1.00 0.00 WT2 H ATOM 28546 OH2 TIP3 1683 -3.729 0.852 0.121 1.00 0.00 WT2 O ATOM 28547 H1 TIP3 1683 -1.395 0.011 -3.832 1.00 0.00 WT2 H ATOM 28548 H2 TIP3 1683 -0.373 -0.979 -4.181 1.00 0.00 WT2 H ATOM 28549 OH2 TIP3 1684 -0.471 -4.146 0.227 1.00 0.00 WT2 O ATOM 28550 H1 TIP3 1684 -4.997 2.850 -1.874 1.00 0.00 WT2 H ATOM 28551 H2 TIP3 1684 13.796 -8.922 1.346 1.00 0.00 WT2 H ATOM 28552 OH2 TIP3 1686 4.647 -0.279 -2.497 1.00 0.00 WT2 O ATOM 28553 H1 TIP3 1686 7.171 11.310 8.014 1.00 0.00 WT2 H ATOM 28554 H2 TIP3 1686 2.511 -6.336 -8.729 1.00 0.00 WT2 H ATOM 28555 OH2 TIP3 1687 -0.380 3.278 -1.467 1.00 0.00 WT2 O ATOM 28556 H1 TIP3 1687 2.054 3.863 -1.731 1.00 0.00 WT2 H ATOM 28557 H2 TIP3 1687 -5.051 2.523 -1.920 1.00 0.00 WT2 H ATOM 28558 OH2 TIP3 1688 1.023 3.340 -0.565 1.00 0.00 WT2 O ATOM 28559 H1 TIP3 1688 7.208 23.972 -11.841 1.00 0.00 WT2 H ATOM 28560 H2 TIP3 1688 0.855 -2.567 4.350 1.00 0.00 WT2 H ATOM 28561 OH2 TIP3 1689 -1.596 7.968 3.149 1.00 0.00 WT2 O ATOM 28562 H1 TIP3 1689 9.960 -0.583 6.451 1.00 0.00 WT2 H ATOM 28563 H2 TIP3 1689 4.083 -9.070 10.737 1.00 0.00 WT2 H ATOM 28564 OH2 TIP3 1691 -3.534 1.508 7.044 1.00 0.00 WT2 O ATOM 28565 H1 TIP3 1691 -8.851 -11.555 4.896 1.00 0.00 WT2 H ATOM 28566 H2 TIP3 1691 -21.734 -23.501 -2.403 1.00 0.00 WT2 H ATOM 28567 OH2 TIP3 1701 -2.773 1.059 0.216 1.00 0.00 WT2 O ATOM 28568 H1 TIP3 1701 -8.026 -12.350 5.157 1.00 0.00 WT2 H ATOM 28569 H2 TIP3 1701 3.820 3.321 7.967 1.00 0.00 WT2 H ATOM 28570 OH2 TIP3 1702 -3.340 1.318 0.459 1.00 0.00 WT2 O ATOM 28571 H1 TIP3 1702 -0.892 3.298 -3.812 1.00 0.00 WT2 H ATOM 28572 H2 TIP3 1702 -4.473 -1.919 3.170 1.00 0.00 WT2 H ATOM 28573 OH2 TIP3 1704 -1.442 7.781 -0.330 1.00 0.00 WT2 O ATOM 28574 H1 TIP3 1704 16.029 25.294 -7.611 1.00 0.00 WT2 H ATOM 28575 H2 TIP3 1704 8.175 -5.002 13.980 1.00 0.00 WT2 H ATOM 28576 OH2 TIP3 1706 -2.827 -1.792 -0.032 1.00 0.00 WT2 O ATOM 28577 H1 TIP3 1706 -2.210 -15.829 16.187 1.00 0.00 WT2 H ATOM 28578 H2 TIP3 1706 -3.408 26.309 -4.833 1.00 0.00 WT2 H ATOM 28579 OH2 TIP3 1707 -4.331 -10.952 2.524 1.00 0.00 WT2 O ATOM 28580 H1 TIP3 1707 -28.048 -0.797 16.544 1.00 0.00 WT2 H ATOM 28581 H2 TIP3 1707 -10.002 -0.148 13.387 1.00 0.00 WT2 H ATOM 28582 OH2 TIP3 1708 -0.409 2.026 -4.607 1.00 0.00 WT2 O ATOM 28583 H1 TIP3 1708 8.787 -3.767 3.171 1.00 0.00 WT2 H ATOM 28584 H2 TIP3 1708 19.208 -24.534 -7.632 1.00 0.00 WT2 H ATOM 28585 OH2 TIP3 1710 -5.528 1.881 4.027 1.00 0.00 WT2 O ATOM 28586 H1 TIP3 1710 20.661 5.768 9.239 1.00 0.00 WT2 H ATOM 28587 H2 TIP3 1710 4.335 6.083 25.437 1.00 0.00 WT2 H ATOM 28588 OH2 TIP3 1723 6.327 -5.492 -2.157 1.00 0.00 WT2 O ATOM 28589 H1 TIP3 1723 47.321 3.139 -20.607 1.00 0.00 WT2 H ATOM 28590 H2 TIP3 1723 -15.756 -4.001 23.632 1.00 0.00 WT2 H ATOM 28591 OH2 TIP3 1725 -2.604 -3.201 -2.078 1.00 0.00 WT2 O ATOM 28592 H1 TIP3 1725 17.885 -6.559 -7.701 1.00 0.00 WT2 H ATOM 28593 H2 TIP3 1725 -5.341 -5.085 -14.776 1.00 0.00 WT2 H ATOM 28594 OH2 TIP3 1728 4.867 -7.831 2.094 1.00 0.00 WT2 O ATOM 28595 H1 TIP3 1728 -5.895 5.087 8.631 1.00 0.00 WT2 H ATOM 28596 H2 TIP3 1728 18.142 1.867 6.440 1.00 0.00 WT2 H ATOM 28597 OH2 TIP3 1730 -1.261 0.492 3.515 1.00 0.00 WT2 O ATOM 28598 H1 TIP3 1730 6.010 8.581 -1.870 1.00 0.00 WT2 H ATOM 28599 H2 TIP3 1730 0.608 2.090 15.321 1.00 0.00 WT2 H ATOM 28600 OH2 TIP3 1731 -5.352 -4.007 -0.010 1.00 0.00 WT2 O ATOM 28601 H1 TIP3 1731 -16.633 -9.002 -3.876 1.00 0.00 WT2 H ATOM 28602 H2 TIP3 1731 -0.941 -7.923 13.198 1.00 0.00 WT2 H ATOM 28603 OH2 TIP3 1733 3.063 -1.589 4.102 1.00 0.00 WT2 O ATOM 28604 H1 TIP3 1733 1.867 1.460 5.124 1.00 0.00 WT2 H ATOM 28605 H2 TIP3 1733 -2.295 -15.928 -11.310 1.00 0.00 WT2 H ATOM 28606 OH2 TIP3 1738 -1.335 -7.501 -1.050 1.00 0.00 WT2 O ATOM 28607 H1 TIP3 1738 -9.939 -16.906 -18.291 1.00 0.00 WT2 H ATOM 28608 H2 TIP3 1738 -7.269 -6.887 2.434 1.00 0.00 WT2 H ATOM 28609 OH2 TIP3 1744 -3.649 5.678 2.742 1.00 0.00 WT2 O ATOM 28610 H1 TIP3 1744 -4.584 6.470 1.189 1.00 0.00 WT2 H ATOM 28611 H2 TIP3 1744 -4.583 6.346 0.885 1.00 0.00 WT2 H ATOM 28612 OH2 TIP3 1746 0.927 1.012 -2.944 1.00 0.00 WT2 O ATOM 28613 H1 TIP3 1746 -7.071 26.781 -2.879 1.00 0.00 WT2 H ATOM 28614 H2 TIP3 1746 -3.972 11.055 1.509 1.00 0.00 WT2 H ATOM 28615 OH2 TIP3 1747 -3.459 -2.376 -0.871 1.00 0.00 WT2 O ATOM 28616 H1 TIP3 1747 18.686 -30.106 25.725 1.00 0.00 WT2 H ATOM 28617 H2 TIP3 1747 1.557 -15.628 -27.833 1.00 0.00 WT2 H ATOM 28618 OH2 TIP3 1748 3.953 -3.039 6.881 1.00 0.00 WT2 O ATOM 28619 H1 TIP3 1748 3.883 8.339 18.878 1.00 0.00 WT2 H ATOM 28620 H2 TIP3 1748 3.805 -12.912 2.270 1.00 0.00 WT2 H ATOM 28621 OH2 TIP3 1749 12.251 -4.028 -6.466 1.00 0.00 WT2 O ATOM 28622 H1 TIP3 1749 18.605 -17.510 12.352 1.00 0.00 WT2 H ATOM 28623 H2 TIP3 1749 5.888 27.472 -6.681 1.00 0.00 WT2 H ATOM 28624 OH2 TIP3 1750 -1.210 -1.873 -4.098 1.00 0.00 WT2 O ATOM 28625 H1 TIP3 1750 5.620 -8.340 -13.030 1.00 0.00 WT2 H ATOM 28626 H2 TIP3 1750 2.712 -11.349 -7.112 1.00 0.00 WT2 H ATOM 28627 OH2 TIP3 1751 -4.776 4.564 -3.291 1.00 0.00 WT2 O ATOM 28628 H1 TIP3 1751 -0.008 -0.940 -1.586 1.00 0.00 WT2 H ATOM 28629 H2 TIP3 1751 5.527 0.019 -4.666 1.00 0.00 WT2 H ATOM 28630 OH2 TIP3 1764 -5.064 4.034 4.544 1.00 0.00 WT2 O ATOM 28631 H1 TIP3 1764 12.923 12.203 -10.461 1.00 0.00 WT2 H ATOM 28632 H2 TIP3 1764 -2.790 -13.092 -14.733 1.00 0.00 WT2 H ATOM 28633 OH2 TIP3 1766 -0.051 -2.131 7.781 1.00 0.00 WT2 O ATOM 28634 H1 TIP3 1766 -0.697 14.374 -14.934 1.00 0.00 WT2 H ATOM 28635 H2 TIP3 1766 8.948 9.125 -10.399 1.00 0.00 WT2 H ATOM 28636 OH2 TIP3 1767 -3.662 1.727 -0.308 1.00 0.00 WT2 O ATOM 28637 H1 TIP3 1767 -3.725 -0.389 -2.281 1.00 0.00 WT2 H ATOM 28638 H2 TIP3 1767 -0.336 0.660 -0.915 1.00 0.00 WT2 H ATOM 28639 OH2 TIP3 1768 -6.785 -5.795 4.163 1.00 0.00 WT2 O ATOM 28640 H1 TIP3 1768 -4.782 -6.842 15.718 1.00 0.00 WT2 H ATOM 28641 H2 TIP3 1768 -3.892 -3.455 -34.243 1.00 0.00 WT2 H ATOM 28642 OH2 TIP3 1769 4.349 -2.898 1.249 1.00 0.00 WT2 O ATOM 28643 H1 TIP3 1769 29.164 19.230 13.106 1.00 0.00 WT2 H ATOM 28644 H2 TIP3 1769 -11.247 -12.907 4.865 1.00 0.00 WT2 H ATOM 28645 OH2 TIP3 1770 -7.579 -1.694 0.897 1.00 0.00 WT2 O ATOM 28646 H1 TIP3 1770 -17.392 -4.469 4.636 1.00 0.00 WT2 H ATOM 28647 H2 TIP3 1770 -14.668 5.748 -0.363 1.00 0.00 WT2 H ATOM 28648 OH2 TIP3 1771 0.016 -0.878 2.554 1.00 0.00 WT2 O ATOM 28649 H1 TIP3 1771 5.425 2.945 6.937 1.00 0.00 WT2 H ATOM 28650 H2 TIP3 1771 4.245 -17.442 -21.154 1.00 0.00 WT2 H ATOM 28651 OH2 TIP3 1773 1.376 4.238 -1.714 1.00 0.00 WT2 O ATOM 28652 H1 TIP3 1773 -0.599 4.671 -2.640 1.00 0.00 WT2 H ATOM 28653 H2 TIP3 1773 3.080 2.644 -2.673 1.00 0.00 WT2 H ATOM 28654 OH2 TIP3 1784 2.475 -0.077 -4.514 1.00 0.00 WT2 O ATOM 28655 H1 TIP3 1784 1.760 19.891 -10.263 1.00 0.00 WT2 H ATOM 28656 H2 TIP3 1784 2.014 -0.766 -14.280 1.00 0.00 WT2 H ATOM 28657 OH2 TIP3 1785 3.931 1.681 0.480 1.00 0.00 WT2 O ATOM 28658 H1 TIP3 1785 13.397 7.482 13.676 1.00 0.00 WT2 H ATOM 28659 H2 TIP3 1785 -6.387 1.751 11.304 1.00 0.00 WT2 H ATOM 28660 OH2 TIP3 1788 -1.535 -7.862 2.583 1.00 0.00 WT2 O ATOM 28661 H1 TIP3 1788 -5.808 -16.095 5.413 1.00 0.00 WT2 H ATOM 28662 H2 TIP3 1788 -3.709 -8.720 -6.336 1.00 0.00 WT2 H ATOM 28663 OH2 TIP3 1789 4.864 -4.640 -4.155 1.00 0.00 WT2 O ATOM 28664 H1 TIP3 1789 -19.638 7.886 1.634 1.00 0.00 WT2 H ATOM 28665 H2 TIP3 1789 18.829 -7.368 -9.521 1.00 0.00 WT2 H ATOM 28666 OH2 TIP3 1790 -5.958 -2.351 -0.801 1.00 0.00 WT2 O ATOM 28667 H1 TIP3 1790 -3.606 -4.759 2.292 1.00 0.00 WT2 H ATOM 28668 H2 TIP3 1790 -9.620 -0.984 -4.767 1.00 0.00 WT2 H ATOM 28669 OH2 TIP3 1791 -1.721 1.169 -3.525 1.00 0.00 WT2 O ATOM 28670 H1 TIP3 1791 -2.745 3.556 -0.531 1.00 0.00 WT2 H ATOM 28671 H2 TIP3 1791 -14.487 18.349 19.968 1.00 0.00 WT2 H ATOM 28672 OH2 TIP3 1792 0.800 3.898 -2.648 1.00 0.00 WT2 O ATOM 28673 H1 TIP3 1792 19.158 -6.988 -2.037 1.00 0.00 WT2 H ATOM 28674 H2 TIP3 1792 -4.112 -17.545 -7.496 1.00 0.00 WT2 H ATOM 28675 OH2 TIP3 1795 3.460 -5.926 3.061 1.00 0.00 WT2 O ATOM 28676 H1 TIP3 1795 18.455 -8.170 -21.853 1.00 0.00 WT2 H ATOM 28677 H2 TIP3 1795 -3.814 18.372 -2.281 1.00 0.00 WT2 H ATOM 28678 OH2 TIP3 1796 0.769 -0.245 -0.610 1.00 0.00 WT2 O ATOM 28679 H1 TIP3 1796 3.824 27.438 11.918 1.00 0.00 WT2 H ATOM 28680 H2 TIP3 1796 -18.601 -10.230 2.019 1.00 0.00 WT2 H ATOM 28681 OH2 TIP3 1810 -5.252 -3.809 -2.233 1.00 0.00 WT2 O ATOM 28682 H1 TIP3 1810 -20.300 -22.514 20.861 1.00 0.00 WT2 H ATOM 28683 H2 TIP3 1810 -22.496 4.225 39.677 1.00 0.00 WT2 H ATOM 28684 OH2 TIP3 1811 0.152 6.691 5.519 1.00 0.00 WT2 O ATOM 28685 H1 TIP3 1811 6.519 -12.854 12.420 1.00 0.00 WT2 H ATOM 28686 H2 TIP3 1811 1.624 21.451 21.176 1.00 0.00 WT2 H ATOM 28687 OH2 TIP3 1813 1.274 3.213 -1.703 1.00 0.00 WT2 O ATOM 28688 H1 TIP3 1813 8.127 13.474 -5.661 1.00 0.00 WT2 H ATOM 28689 H2 TIP3 1813 -11.235 9.761 0.578 1.00 0.00 WT2 H ATOM 28690 OH2 TIP3 1814 -7.719 -3.370 -0.388 1.00 0.00 WT2 O ATOM 28691 H1 TIP3 1814 -3.631 -8.220 -7.639 1.00 0.00 WT2 H ATOM 28692 H2 TIP3 1814 -6.349 -8.141 -2.291 1.00 0.00 WT2 H ATOM 28693 OH2 TIP3 1816 -0.754 -7.798 0.340 1.00 0.00 WT2 O ATOM 28694 H1 TIP3 1816 -0.080 -1.370 6.828 1.00 0.00 WT2 H ATOM 28695 H2 TIP3 1816 1.047 -0.745 -10.611 1.00 0.00 WT2 H ATOM 28696 OH2 TIP3 1824 -8.373 0.528 2.870 1.00 0.00 WT2 O ATOM 28697 H1 TIP3 1824 -9.137 1.084 19.631 1.00 0.00 WT2 H ATOM 28698 H2 TIP3 1824 -10.304 1.237 13.671 1.00 0.00 WT2 H ATOM 28699 OH2 TIP3 1829 5.620 -4.312 6.191 1.00 0.00 WT2 O ATOM 28700 H1 TIP3 1829 6.172 -5.199 7.231 1.00 0.00 WT2 H ATOM 28701 H2 TIP3 1829 -5.020 9.378 -14.577 1.00 0.00 WT2 H ATOM 28702 OH2 TIP3 1830 -0.833 2.616 7.611 1.00 0.00 WT2 O ATOM 28703 H1 TIP3 1830 7.784 10.126 7.888 1.00 0.00 WT2 H ATOM 28704 H2 TIP3 1830 25.884 0.871 8.205 1.00 0.00 WT2 H ATOM 28705 OH2 TIP3 1831 -2.950 1.855 -2.618 1.00 0.00 WT2 O ATOM 28706 H1 TIP3 1831 -48.328 30.813 3.666 1.00 0.00 WT2 H ATOM 28707 H2 TIP3 1831 13.205 -19.410 40.270 1.00 0.00 WT2 H ATOM 28708 OH2 TIP3 1832 0.074 -11.238 3.111 1.00 0.00 WT2 O ATOM 28709 H1 TIP3 1832 -12.228 -10.212 -5.471 1.00 0.00 WT2 H ATOM 28710 H2 TIP3 1832 4.980 -20.125 14.706 1.00 0.00 WT2 H ATOM 28711 OH2 TIP3 1835 2.785 -9.314 5.904 1.00 0.00 WT2 O ATOM 28712 H1 TIP3 1835 6.982 -4.133 10.250 1.00 0.00 WT2 H ATOM 28713 H2 TIP3 1835 -5.752 -7.522 2.823 1.00 0.00 WT2 H ATOM 28714 OH2 TIP3 1837 11.947 -3.081 1.565 1.00 0.00 WT2 O ATOM 28715 H1 TIP3 1837 3.671 5.251 -3.571 1.00 0.00 WT2 H ATOM 28716 H2 TIP3 1837 3.732 -10.546 9.642 1.00 0.00 WT2 H ATOM 28717 OH2 TIP3 1847 -0.906 -1.299 2.417 1.00 0.00 WT2 O ATOM 28718 H1 TIP3 1847 -8.893 15.814 -11.899 1.00 0.00 WT2 H ATOM 28719 H2 TIP3 1847 -15.626 0.942 4.891 1.00 0.00 WT2 H ATOM 28720 OH2 TIP3 1850 -4.357 -0.536 10.901 1.00 0.00 WT2 O ATOM 28721 H1 TIP3 1850 8.603 8.313 15.578 1.00 0.00 WT2 H ATOM 28722 H2 TIP3 1850 -11.774 -3.954 13.981 1.00 0.00 WT2 H ATOM 28723 OH2 TIP3 1851 -0.980 -4.524 -1.204 1.00 0.00 WT2 O ATOM 28724 H1 TIP3 1851 7.896 -1.585 -3.388 1.00 0.00 WT2 H ATOM 28725 H2 TIP3 1851 -0.630 -11.999 6.316 1.00 0.00 WT2 H ATOM 28726 OH2 TIP3 1852 0.916 1.296 7.245 1.00 0.00 WT2 O ATOM 28727 H1 TIP3 1852 8.770 8.574 6.236 1.00 0.00 WT2 H ATOM 28728 H2 TIP3 1852 -2.886 -0.942 5.102 1.00 0.00 WT2 H ATOM 28729 OH2 TIP3 1853 0.942 3.273 2.090 1.00 0.00 WT2 O ATOM 28730 H1 TIP3 1853 -9.637 -13.022 27.356 1.00 0.00 WT2 H ATOM 28731 H2 TIP3 1853 -2.385 25.754 1.762 1.00 0.00 WT2 H ATOM 28732 OH2 TIP3 1854 -3.914 -0.355 2.294 1.00 0.00 WT2 O ATOM 28733 H1 TIP3 1854 16.829 -14.033 6.119 1.00 0.00 WT2 H ATOM 28734 H2 TIP3 1854 -14.354 -16.352 -22.107 1.00 0.00 WT2 H ATOM 28735 OH2 TIP3 1855 2.762 -6.255 -2.028 1.00 0.00 WT2 O ATOM 28736 H1 TIP3 1855 3.085 -11.375 3.610 1.00 0.00 WT2 H ATOM 28737 H2 TIP3 1855 2.963 -9.160 25.804 1.00 0.00 WT2 H ATOM 28738 OH2 TIP3 1856 -4.066 -0.987 -0.016 1.00 0.00 WT2 O ATOM 28739 H1 TIP3 1856 4.372 1.303 -5.995 1.00 0.00 WT2 H ATOM 28740 H2 TIP3 1856 1.416 6.344 9.637 1.00 0.00 WT2 H ATOM 28741 OH2 TIP3 1870 -9.346 9.419 -1.256 1.00 0.00 WT2 O ATOM 28742 H1 TIP3 1870 19.173 11.045 -18.776 1.00 0.00 WT2 H ATOM 28743 H2 TIP3 1870 0.536 11.185 8.745 1.00 0.00 WT2 H ATOM 28744 OH2 TIP3 1871 7.828 0.808 3.646 1.00 0.00 WT2 O ATOM 28745 H1 TIP3 1871 5.194 -3.551 1.843 1.00 0.00 WT2 H ATOM 28746 H2 TIP3 1871 16.260 20.586 8.030 1.00 0.00 WT2 H ATOM 28747 OH2 TIP3 1872 -3.888 6.000 3.456 1.00 0.00 WT2 O ATOM 28748 H1 TIP3 1872 5.122 11.039 8.080 1.00 0.00 WT2 H ATOM 28749 H2 TIP3 1872 -5.710 12.650 -6.896 1.00 0.00 WT2 H ATOM 28750 OH2 TIP3 1873 -3.594 -1.843 -6.055 1.00 0.00 WT2 O ATOM 28751 H1 TIP3 1873 -10.099 -6.602 -21.850 1.00 0.00 WT2 H ATOM 28752 H2 TIP3 1873 5.444 12.768 -4.126 1.00 0.00 WT2 H ATOM 28753 OH2 TIP3 1875 5.736 6.053 2.487 1.00 0.00 WT2 O ATOM 28754 H1 TIP3 1875 5.608 8.103 3.098 1.00 0.00 WT2 H ATOM 28755 H2 TIP3 1875 -7.200 20.030 18.879 1.00 0.00 WT2 H ATOM 28756 OH2 TIP3 1877 -5.352 0.592 -8.422 1.00 0.00 WT2 O ATOM 28757 H1 TIP3 1877 0.324 -0.617 1.988 1.00 0.00 WT2 H ATOM 28758 H2 TIP3 1877 1.968 2.108 4.682 1.00 0.00 WT2 H ATOM 28759 OH2 TIP3 1881 -1.645 -2.432 -0.484 1.00 0.00 WT2 O ATOM 28760 H1 TIP3 1881 2.654 4.379 2.074 1.00 0.00 WT2 H ATOM 28761 H2 TIP3 1881 -1.906 -2.529 -16.143 1.00 0.00 WT2 H ATOM 28762 OH2 TIP3 1885 6.021 -1.398 -8.510 1.00 0.00 WT2 O ATOM 28763 H1 TIP3 1885 6.153 -0.290 -2.942 1.00 0.00 WT2 H ATOM 28764 H2 TIP3 1885 5.336 3.480 -2.163 1.00 0.00 WT2 H ATOM 28765 OH2 TIP3 1891 -6.701 -2.485 2.773 1.00 0.00 WT2 O ATOM 28766 H1 TIP3 1891 -17.727 18.369 2.781 1.00 0.00 WT2 H ATOM 28767 H2 TIP3 1891 -14.258 -3.249 4.300 1.00 0.00 WT2 H ATOM 28768 OH2 TIP3 1892 -2.710 2.129 -8.114 1.00 0.00 WT2 O ATOM 28769 H1 TIP3 1892 -3.063 0.402 -2.459 1.00 0.00 WT2 H ATOM 28770 H2 TIP3 1892 13.635 7.177 -18.482 1.00 0.00 WT2 H ATOM 28771 OH2 TIP3 1894 5.569 -4.856 -2.661 1.00 0.00 WT2 O ATOM 28772 H1 TIP3 1894 -3.942 4.140 6.183 1.00 0.00 WT2 H ATOM 28773 H2 TIP3 1894 8.226 -9.088 -6.657 1.00 0.00 WT2 H ATOM 28774 OH2 TIP3 1895 -1.325 3.840 -2.636 1.00 0.00 WT2 O ATOM 28775 H1 TIP3 1895 12.125 5.528 -25.839 1.00 0.00 WT2 H ATOM 28776 H2 TIP3 1895 -6.226 1.522 6.150 1.00 0.00 WT2 H ATOM 28777 OH2 TIP3 1896 -3.302 0.266 -4.932 1.00 0.00 WT2 O ATOM 28778 H1 TIP3 1896 0.344 14.983 2.619 1.00 0.00 WT2 H ATOM 28779 H2 TIP3 1896 5.532 -9.869 9.461 1.00 0.00 WT2 H ATOM 28780 OH2 TIP3 1897 -4.762 -2.067 -1.169 1.00 0.00 WT2 O ATOM 28781 H1 TIP3 1897 13.669 5.427 10.964 1.00 0.00 WT2 H ATOM 28782 H2 TIP3 1897 -4.258 7.097 -8.750 1.00 0.00 WT2 H ATOM 28783 OH2 TIP3 1911 2.164 0.065 -3.844 1.00 0.00 WT2 O ATOM 28784 H1 TIP3 1911 -9.875 7.453 13.463 1.00 0.00 WT2 H ATOM 28785 H2 TIP3 1911 -4.886 4.871 -1.006 1.00 0.00 WT2 H ATOM 28786 OH2 TIP3 1912 3.372 1.774 4.477 1.00 0.00 WT2 O ATOM 28787 H1 TIP3 1912 -4.392 5.631 2.384 1.00 0.00 WT2 H ATOM 28788 H2 TIP3 1912 16.914 -3.974 10.476 1.00 0.00 WT2 H ATOM 28789 OH2 TIP3 1913 1.350 0.927 -1.421 1.00 0.00 WT2 O ATOM 28790 H1 TIP3 1913 -14.727 6.700 10.123 1.00 0.00 WT2 H ATOM 28791 H2 TIP3 1913 3.290 -27.574 3.919 1.00 0.00 WT2 H ATOM 28792 OH2 TIP3 1914 -0.860 5.449 6.453 1.00 0.00 WT2 O ATOM 28793 H1 TIP3 1914 -0.865 -6.270 -8.081 1.00 0.00 WT2 H ATOM 28794 H2 TIP3 1914 -19.176 9.170 7.646 1.00 0.00 WT2 H ATOM 28795 OH2 TIP3 1915 -5.533 5.571 -1.868 1.00 0.00 WT2 O ATOM 28796 H1 TIP3 1915 -11.216 -18.290 -11.917 1.00 0.00 WT2 H ATOM 28797 H2 TIP3 1915 -12.868 28.151 10.067 1.00 0.00 WT2 H ATOM 28798 OH2 TIP3 1917 -0.616 -4.374 -6.066 1.00 0.00 WT2 O ATOM 28799 H1 TIP3 1917 18.944 52.358 -17.098 1.00 0.00 WT2 H ATOM 28800 H2 TIP3 1917 -10.286 34.154 22.802 1.00 0.00 WT2 H ATOM 28801 OH2 TIP3 1918 -7.030 9.408 2.070 1.00 0.00 WT2 O ATOM 28802 H1 TIP3 1918 -1.395 -7.564 3.648 1.00 0.00 WT2 H ATOM 28803 H2 TIP3 1918 -14.310 -9.999 0.883 1.00 0.00 WT2 H ATOM 28804 OH2 TIP3 1919 0.341 -1.640 -2.782 1.00 0.00 WT2 O ATOM 28805 H1 TIP3 1919 6.816 -2.355 1.241 1.00 0.00 WT2 H ATOM 28806 H2 TIP3 1919 -5.183 -6.944 13.257 1.00 0.00 WT2 H ATOM 28807 OH2 TIP3 1931 7.494 0.217 -0.379 1.00 0.00 WT2 O ATOM 28808 H1 TIP3 1931 12.305 -7.829 2.998 1.00 0.00 WT2 H ATOM 28809 H2 TIP3 1931 12.913 -13.172 9.565 1.00 0.00 WT2 H ATOM 28810 OH2 TIP3 1934 0.019 -2.524 -1.226 1.00 0.00 WT2 O ATOM 28811 H1 TIP3 1934 -2.982 7.955 1.690 1.00 0.00 WT2 H ATOM 28812 H2 TIP3 1934 -2.810 -3.326 -1.871 1.00 0.00 WT2 H ATOM 28813 OH2 TIP3 1935 -1.899 2.507 6.155 1.00 0.00 WT2 O ATOM 28814 H1 TIP3 1935 23.141 -9.681 12.624 1.00 0.00 WT2 H ATOM 28815 H2 TIP3 1935 14.474 27.509 12.340 1.00 0.00 WT2 H ATOM 28816 OH2 TIP3 1936 0.881 1.722 -3.719 1.00 0.00 WT2 O ATOM 28817 H1 TIP3 1936 -7.136 7.556 10.436 1.00 0.00 WT2 H ATOM 28818 H2 TIP3 1936 -7.992 -5.730 -3.142 1.00 0.00 WT2 H ATOM 28819 OH2 TIP3 1937 -5.151 -0.872 -0.679 1.00 0.00 WT2 O ATOM 28820 H1 TIP3 1937 -12.931 11.622 20.143 1.00 0.00 WT2 H ATOM 28821 H2 TIP3 1937 1.212 14.188 30.280 1.00 0.00 WT2 H ATOM 28822 OH2 TIP3 1938 -0.714 -0.504 3.384 1.00 0.00 WT2 O ATOM 28823 H1 TIP3 1938 -5.593 -0.091 3.542 1.00 0.00 WT2 H ATOM 28824 H2 TIP3 1938 4.612 -14.147 0.268 1.00 0.00 WT2 H ATOM 28825 OH2 TIP3 1950 -0.561 -0.979 -6.379 1.00 0.00 WT2 O ATOM 28826 H1 TIP3 1950 -20.235 -1.785 -13.150 1.00 0.00 WT2 H ATOM 28827 H2 TIP3 1950 -2.583 19.250 -8.612 1.00 0.00 WT2 H ATOM 28828 OH2 TIP3 1952 4.527 -6.220 2.164 1.00 0.00 WT2 O ATOM 28829 H1 TIP3 1952 -0.627 -8.575 -1.956 1.00 0.00 WT2 H ATOM 28830 H2 TIP3 1952 10.519 -10.009 0.156 1.00 0.00 WT2 H ATOM 28831 OH2 TIP3 1953 -2.272 -1.811 -3.357 1.00 0.00 WT2 O ATOM 28832 H1 TIP3 1953 7.889 -20.184 -3.131 1.00 0.00 WT2 H ATOM 28833 H2 TIP3 1953 19.157 13.797 -3.064 1.00 0.00 WT2 H ATOM 28834 OH2 TIP3 1954 1.938 2.814 -5.570 1.00 0.00 WT2 O ATOM 28835 H1 TIP3 1954 -8.510 -23.266 -21.945 1.00 0.00 WT2 H ATOM 28836 H2 TIP3 1954 8.998 11.552 -4.459 1.00 0.00 WT2 H ATOM 28837 OH2 TIP3 1955 -2.085 -1.940 -9.935 1.00 0.00 WT2 O ATOM 28838 H1 TIP3 1955 -1.834 -3.074 -9.427 1.00 0.00 WT2 H ATOM 28839 H2 TIP3 1955 5.490 -13.437 4.144 1.00 0.00 WT2 H ATOM 28840 OH2 TIP3 1959 3.293 1.379 8.788 1.00 0.00 WT2 O ATOM 28841 H1 TIP3 1959 -32.211 -26.603 -13.864 1.00 0.00 WT2 H ATOM 28842 H2 TIP3 1959 0.555 30.364 2.360 1.00 0.00 WT2 H ATOM 28843 OH2 TIP3 1976 0.637 5.578 1.616 1.00 0.00 WT2 O ATOM 28844 H1 TIP3 1976 -1.542 6.575 -9.712 1.00 0.00 WT2 H ATOM 28845 H2 TIP3 1976 -9.983 12.705 12.587 1.00 0.00 WT2 H ATOM 28846 OH2 TIP3 1977 -1.238 6.116 0.413 1.00 0.00 WT2 O ATOM 28847 H1 TIP3 1977 1.937 4.474 2.963 1.00 0.00 WT2 H ATOM 28848 H2 TIP3 1977 -7.961 7.669 -5.308 1.00 0.00 WT2 H ATOM 28849 OH2 TIP3 1978 5.706 -4.918 4.205 1.00 0.00 WT2 O ATOM 28850 H1 TIP3 1978 20.763 -12.970 -10.117 1.00 0.00 WT2 H ATOM 28851 H2 TIP3 1978 13.324 16.581 3.167 1.00 0.00 WT2 H ATOM 28852 OH2 TIP3 1979 -3.714 2.361 3.981 1.00 0.00 WT2 O ATOM 28853 H1 TIP3 1979 -12.097 2.480 -2.064 1.00 0.00 WT2 H ATOM 28854 H2 TIP3 1979 -6.944 13.213 11.893 1.00 0.00 WT2 H ATOM 28855 OH2 TIP3 1983 -3.528 -0.252 -0.930 1.00 0.00 WT2 O ATOM 28856 H1 TIP3 1983 -10.250 1.177 2.444 1.00 0.00 WT2 H ATOM 28857 H2 TIP3 1983 -56.450 -15.238 7.639 1.00 0.00 WT2 H ATOM 28858 OH2 TIP3 1993 -5.515 -6.342 -2.691 1.00 0.00 WT2 O ATOM 28859 H1 TIP3 1993 3.709 -11.730 13.330 1.00 0.00 WT2 H ATOM 28860 H2 TIP3 1993 -0.904 -21.566 -18.792 1.00 0.00 WT2 H ATOM 28861 OH2 TIP3 1998 -4.885 -5.506 1.060 1.00 0.00 WT2 O ATOM 28862 H1 TIP3 1998 17.198 -29.874 0.591 1.00 0.00 WT2 H ATOM 28863 H2 TIP3 1998 -25.811 -17.359 -12.249 1.00 0.00 WT2 H ATOM 28864 OH2 TIP3 1999 0.014 0.313 0.203 1.00 0.00 WT2 O ATOM 28865 H1 TIP3 1999 -18.984 6.224 -4.361 1.00 0.00 WT2 H ATOM 28866 H2 TIP3 1999 -8.471 -0.893 14.063 1.00 0.00 WT2 H ATOM 28867 OH2 TIP3 2000 -2.390 -0.969 -0.311 1.00 0.00 WT2 O ATOM 28868 H1 TIP3 2000 -15.669 -6.853 9.059 1.00 0.00 WT2 H ATOM 28869 H2 TIP3 2000 -9.607 -25.283 -11.039 1.00 0.00 WT2 H ATOM 28870 OH2 TIP3 2001 -2.993 -0.270 -2.118 1.00 0.00 WT2 O ATOM 28871 H1 TIP3 2001 -19.373 6.452 13.829 1.00 0.00 WT2 H ATOM 28872 H2 TIP3 2001 -15.772 7.777 11.458 1.00 0.00 WT2 H ATOM 28873 OH2 TIP3 2002 4.916 -0.188 0.330 1.00 0.00 WT2 O ATOM 28874 H1 TIP3 2002 9.989 -8.359 -2.793 1.00 0.00 WT2 H ATOM 28875 H2 TIP3 2002 15.654 -3.185 5.758 1.00 0.00 WT2 H ATOM 28876 OH2 TIP3 2014 -0.755 1.010 -5.054 1.00 0.00 WT2 O ATOM 28877 H1 TIP3 2014 18.653 -14.633 -0.407 1.00 0.00 WT2 H ATOM 28878 H2 TIP3 2014 17.753 -11.754 -10.649 1.00 0.00 WT2 H ATOM 28879 OH2 TIP3 2016 3.494 -2.215 -2.255 1.00 0.00 WT2 O ATOM 28880 H1 TIP3 2016 22.408 5.199 10.577 1.00 0.00 WT2 H ATOM 28881 H2 TIP3 2016 -4.063 -15.470 1.852 1.00 0.00 WT2 H ATOM 28882 OH2 TIP3 2018 -0.761 -4.152 -2.310 1.00 0.00 WT2 O ATOM 28883 H1 TIP3 2018 -2.050 -1.544 10.877 1.00 0.00 WT2 H ATOM 28884 H2 TIP3 2018 10.197 -1.729 -3.849 1.00 0.00 WT2 H ATOM 28885 OH2 TIP3 2019 4.981 -3.233 0.833 1.00 0.00 WT2 O ATOM 28886 H1 TIP3 2019 -0.700 23.847 -17.106 1.00 0.00 WT2 H ATOM 28887 H2 TIP3 2019 10.342 -13.303 37.192 1.00 0.00 WT2 H ATOM 28888 OH2 TIP3 2021 -4.168 2.063 -3.051 1.00 0.00 WT2 O ATOM 28889 H1 TIP3 2021 -8.211 -5.665 -3.882 1.00 0.00 WT2 H ATOM 28890 H2 TIP3 2021 0.733 -4.903 10.130 1.00 0.00 WT2 H ATOM 28891 OH2 TIP3 2022 0.177 -1.508 -4.592 1.00 0.00 WT2 O ATOM 28892 H1 TIP3 2022 4.944 10.405 -21.642 1.00 0.00 WT2 H ATOM 28893 H2 TIP3 2022 -35.354 -21.301 -4.055 1.00 0.00 WT2 H ATOM 28894 OH2 TIP3 2024 1.696 0.315 -1.472 1.00 0.00 WT2 O ATOM 28895 H1 TIP3 2024 9.319 1.563 6.785 1.00 0.00 WT2 H ATOM 28896 H2 TIP3 2024 3.119 -5.841 13.925 1.00 0.00 WT2 H ATOM 28897 OH2 TIP3 2034 -5.232 0.531 -5.591 1.00 0.00 WT2 O ATOM 28898 H1 TIP3 2034 -3.825 6.899 -0.444 1.00 0.00 WT2 H ATOM 28899 H2 TIP3 2034 2.583 9.399 6.805 1.00 0.00 WT2 H ATOM 28900 OH2 TIP3 2037 0.505 4.533 -3.544 1.00 0.00 WT2 O ATOM 28901 H1 TIP3 2037 4.242 3.326 -1.747 1.00 0.00 WT2 H ATOM 28902 H2 TIP3 2037 -2.906 10.474 -1.482 1.00 0.00 WT2 H ATOM 28903 OH2 TIP3 2038 1.356 3.721 3.240 1.00 0.00 WT2 O ATOM 28904 H1 TIP3 2038 14.058 12.459 1.575 1.00 0.00 WT2 H ATOM 28905 H2 TIP3 2038 -5.658 -10.250 4.925 1.00 0.00 WT2 H ATOM 28906 OH2 TIP3 2039 -0.199 -4.664 8.196 1.00 0.00 WT2 O ATOM 28907 H1 TIP3 2039 24.046 -18.313 -0.328 1.00 0.00 WT2 H ATOM 28908 H2 TIP3 2039 8.392 -9.029 3.465 1.00 0.00 WT2 H ATOM 28909 OH2 TIP3 2040 -6.249 -6.482 -2.381 1.00 0.00 WT2 O ATOM 28910 H1 TIP3 2040 -11.265 -7.764 -21.961 1.00 0.00 WT2 H ATOM 28911 H2 TIP3 2040 2.643 -17.643 29.731 1.00 0.00 WT2 H ATOM 28912 OH2 TIP3 2042 3.162 0.682 4.708 1.00 0.00 WT2 O ATOM 28913 H1 TIP3 2042 11.983 -16.643 -9.198 1.00 0.00 WT2 H ATOM 28914 H2 TIP3 2042 -5.522 4.341 10.076 1.00 0.00 WT2 H ATOM 28915 OH2 TIP3 2043 -5.369 -3.419 -7.682 1.00 0.00 WT2 O ATOM 28916 H1 TIP3 2043 -2.155 4.368 -6.882 1.00 0.00 WT2 H ATOM 28917 H2 TIP3 2043 -4.358 0.814 -7.345 1.00 0.00 WT2 H ATOM 28918 OH2 TIP3 2044 4.875 1.520 1.073 1.00 0.00 WT2 O ATOM 28919 H1 TIP3 2044 3.889 -1.937 -0.757 1.00 0.00 WT2 H ATOM 28920 H2 TIP3 2044 -20.078 25.427 30.230 1.00 0.00 WT2 H ATOM 28921 OH2 TIP3 2046 8.471 -2.364 -2.615 1.00 0.00 WT2 O ATOM 28922 H1 TIP3 2046 -16.227 15.921 25.293 1.00 0.00 WT2 H ATOM 28923 H2 TIP3 2046 -30.860 11.167 -35.656 1.00 0.00 WT2 H ATOM 28924 OH2 TIP3 2059 2.972 -2.367 -1.447 1.00 0.00 WT2 O ATOM 28925 H1 TIP3 2059 -3.660 -12.473 8.558 1.00 0.00 WT2 H ATOM 28926 H2 TIP3 2059 1.194 -1.413 0.744 1.00 0.00 WT2 H ATOM 28927 OH2 TIP3 2060 -4.837 -4.149 5.879 1.00 0.00 WT2 O ATOM 28928 H1 TIP3 2060 -13.106 -2.870 -0.798 1.00 0.00 WT2 H ATOM 28929 H2 TIP3 2060 -3.016 3.139 -2.774 1.00 0.00 WT2 H ATOM 28930 OH2 TIP3 2061 1.764 -4.426 1.137 1.00 0.00 WT2 O ATOM 28931 H1 TIP3 2061 -18.914 4.817 -4.428 1.00 0.00 WT2 H ATOM 28932 H2 TIP3 2061 7.430 -6.787 4.322 1.00 0.00 WT2 H ATOM 28933 OH2 TIP3 2062 -1.783 -2.066 -1.651 1.00 0.00 WT2 O ATOM 28934 H1 TIP3 2062 -5.085 -5.917 6.703 1.00 0.00 WT2 H ATOM 28935 H2 TIP3 2062 -2.124 -4.493 5.890 1.00 0.00 WT2 H ATOM 28936 OH2 TIP3 2063 1.403 -1.118 -1.201 1.00 0.00 WT2 O ATOM 28937 H1 TIP3 2063 16.500 14.838 -4.702 1.00 0.00 WT2 H ATOM 28938 H2 TIP3 2063 7.265 0.584 -3.180 1.00 0.00 WT2 H ATOM 28939 OH2 TIP3 2064 -1.779 0.511 3.764 1.00 0.00 WT2 O ATOM 28940 H1 TIP3 2064 -31.926 -8.646 -0.276 1.00 0.00 WT2 H ATOM 28941 H2 TIP3 2064 -17.698 -18.782 1.481 1.00 0.00 WT2 H ATOM 28942 OH2 TIP3 2066 1.577 -0.776 -4.846 1.00 0.00 WT2 O ATOM 28943 H1 TIP3 2066 2.148 -5.174 -38.848 1.00 0.00 WT2 H ATOM 28944 H2 TIP3 2066 4.457 11.949 -23.827 1.00 0.00 WT2 H ATOM 28945 OH2 TIP3 2079 -1.335 5.445 -5.862 1.00 0.00 WT2 O ATOM 28946 H1 TIP3 2079 -3.562 13.832 4.798 1.00 0.00 WT2 H ATOM 28947 H2 TIP3 2079 -3.175 9.027 -2.345 1.00 0.00 WT2 H ATOM 28948 OH2 TIP3 2081 1.843 -4.361 -0.840 1.00 0.00 WT2 O ATOM 28949 H1 TIP3 2081 5.182 2.429 14.196 1.00 0.00 WT2 H ATOM 28950 H2 TIP3 2081 3.022 4.201 -2.325 1.00 0.00 WT2 H ATOM 28951 OH2 TIP3 2082 -0.613 -1.925 -5.413 1.00 0.00 WT2 O ATOM 28952 H1 TIP3 2082 -1.270 -0.476 -3.998 1.00 0.00 WT2 H ATOM 28953 H2 TIP3 2082 -3.601 -2.464 -4.632 1.00 0.00 WT2 H ATOM 28954 OH2 TIP3 2083 -6.930 -7.420 -0.509 1.00 0.00 WT2 O ATOM 28955 H1 TIP3 2083 1.848 -8.572 -20.518 1.00 0.00 WT2 H ATOM 28956 H2 TIP3 2083 15.796 -8.514 2.720 1.00 0.00 WT2 H ATOM 28957 OH2 TIP3 2084 -5.836 -1.458 -4.843 1.00 0.00 WT2 O ATOM 28958 H1 TIP3 2084 -7.205 12.990 -17.316 1.00 0.00 WT2 H ATOM 28959 H2 TIP3 2084 -8.949 -11.103 3.070 1.00 0.00 WT2 H ATOM 28960 OH2 TIP3 2088 -1.475 8.540 -0.226 1.00 0.00 WT2 O ATOM 28961 H1 TIP3 2088 -24.116 24.162 4.829 1.00 0.00 WT2 H ATOM 28962 H2 TIP3 2088 5.053 16.147 -7.870 1.00 0.00 WT2 H ATOM 28963 OH2 TIP3 2101 0.026 -2.426 -0.056 1.00 0.00 WT2 O ATOM 28964 H1 TIP3 2101 -6.273 -7.040 6.065 1.00 0.00 WT2 H ATOM 28965 H2 TIP3 2101 -5.002 -1.253 -9.099 1.00 0.00 WT2 H ATOM 28966 OH2 TIP3 2102 2.258 0.654 1.323 1.00 0.00 WT2 O ATOM 28967 H1 TIP3 2102 8.294 -3.666 -1.943 1.00 0.00 WT2 H ATOM 28968 H2 TIP3 2102 3.691 2.637 -0.182 1.00 0.00 WT2 H ATOM 28969 OH2 TIP3 2103 1.060 2.427 0.022 1.00 0.00 WT2 O ATOM 28970 H1 TIP3 2103 9.692 7.680 3.132 1.00 0.00 WT2 H ATOM 28971 H2 TIP3 2103 -18.463 -10.661 -5.906 1.00 0.00 WT2 H ATOM 28972 OH2 TIP3 2104 2.882 5.663 8.259 1.00 0.00 WT2 O ATOM 28973 H1 TIP3 2104 8.878 -4.914 8.460 1.00 0.00 WT2 H ATOM 28974 H2 TIP3 2104 10.537 7.082 17.805 1.00 0.00 WT2 H ATOM 28975 OH2 TIP3 2105 -7.354 -4.783 -1.547 1.00 0.00 WT2 O ATOM 28976 H1 TIP3 2105 8.389 -5.428 -7.960 1.00 0.00 WT2 H ATOM 28977 H2 TIP3 2105 5.286 10.387 5.379 1.00 0.00 WT2 H ATOM 28978 OH2 TIP3 2106 0.432 5.106 -1.092 1.00 0.00 WT2 O ATOM 28979 H1 TIP3 2106 -8.514 -12.393 5.566 1.00 0.00 WT2 H ATOM 28980 H2 TIP3 2106 -0.899 2.484 9.717 1.00 0.00 WT2 H ATOM 28981 OH2 TIP3 2108 -3.207 1.342 3.477 1.00 0.00 WT2 O ATOM 28982 H1 TIP3 2108 -19.072 16.372 21.299 1.00 0.00 WT2 H ATOM 28983 H2 TIP3 2108 -11.411 -21.551 -19.236 1.00 0.00 WT2 H ATOM 28984 OH2 TIP3 2122 0.138 4.616 2.465 1.00 0.00 WT2 O ATOM 28985 H1 TIP3 2122 -3.281 20.747 -14.405 1.00 0.00 WT2 H ATOM 28986 H2 TIP3 2122 -1.450 32.858 9.331 1.00 0.00 WT2 H ATOM 28987 OH2 TIP3 2123 -3.124 -3.319 -4.843 1.00 0.00 WT2 O ATOM 28988 H1 TIP3 2123 -7.945 -2.169 4.127 1.00 0.00 WT2 H ATOM 28989 H2 TIP3 2123 -12.330 14.944 -14.158 1.00 0.00 WT2 H ATOM 28990 OH2 TIP3 2124 -4.155 -8.719 -0.398 1.00 0.00 WT2 O ATOM 28991 H1 TIP3 2124 9.335 -24.687 -5.979 1.00 0.00 WT2 H ATOM 28992 H2 TIP3 2124 5.957 -15.230 -14.481 1.00 0.00 WT2 H ATOM 28993 OH2 TIP3 2125 0.040 -3.653 1.536 1.00 0.00 WT2 O ATOM 28994 H1 TIP3 2125 -2.293 -9.233 12.815 1.00 0.00 WT2 H ATOM 28995 H2 TIP3 2125 -0.897 6.341 -3.697 1.00 0.00 WT2 H ATOM 28996 OH2 TIP3 2126 0.632 -4.567 0.738 1.00 0.00 WT2 O ATOM 28997 H1 TIP3 2126 1.495 -5.678 0.816 1.00 0.00 WT2 H ATOM 28998 H2 TIP3 2126 8.836 12.926 15.998 1.00 0.00 WT2 H ATOM 28999 OH2 TIP3 2128 -2.482 -1.726 1.958 1.00 0.00 WT2 O ATOM 29000 H1 TIP3 2128 -22.990 10.408 -0.745 1.00 0.00 WT2 H ATOM 29001 H2 TIP3 2128 -5.395 0.423 7.419 1.00 0.00 WT2 H ATOM 29002 OH2 TIP3 2129 2.908 -1.023 2.151 1.00 0.00 WT2 O ATOM 29003 H1 TIP3 2129 3.004 16.870 -31.768 1.00 0.00 WT2 H ATOM 29004 H2 TIP3 2129 3.689 -17.429 4.729 1.00 0.00 WT2 H ATOM 29005 OH2 TIP3 2131 1.191 -5.763 -4.857 1.00 0.00 WT2 O ATOM 29006 H1 TIP3 2131 6.027 -0.764 -2.500 1.00 0.00 WT2 H ATOM 29007 H2 TIP3 2131 -8.351 -13.905 -4.970 1.00 0.00 WT2 H ATOM 29008 OH2 TIP3 2143 4.157 0.327 -0.906 1.00 0.00 WT2 O ATOM 29009 H1 TIP3 2143 5.936 -11.206 -2.528 1.00 0.00 WT2 H ATOM 29010 H2 TIP3 2143 3.960 8.076 -11.028 1.00 0.00 WT2 H ATOM 29011 OH2 TIP3 2146 -0.436 -1.307 3.696 1.00 0.00 WT2 O ATOM 29012 H1 TIP3 2146 1.910 -21.771 -3.462 1.00 0.00 WT2 H ATOM 29013 H2 TIP3 2146 5.349 15.119 7.171 1.00 0.00 WT2 H ATOM 29014 OH2 TIP3 2148 2.285 5.169 -2.727 1.00 0.00 WT2 O ATOM 29015 H1 TIP3 2148 1.875 -23.722 -2.077 1.00 0.00 WT2 H ATOM 29016 H2 TIP3 2148 12.753 7.322 9.072 1.00 0.00 WT2 H ATOM 29017 OH2 TIP3 2150 -9.872 -2.582 1.272 1.00 0.00 WT2 O ATOM 29018 H1 TIP3 2150 4.754 -13.920 8.757 1.00 0.00 WT2 H ATOM 29019 H2 TIP3 2150 20.405 7.233 12.209 1.00 0.00 WT2 H ATOM 29020 OH2 TIP3 2152 -4.216 -1.102 9.243 1.00 0.00 WT2 O ATOM 29021 H1 TIP3 2152 -8.752 3.234 3.559 1.00 0.00 WT2 H ATOM 29022 H2 TIP3 2152 -9.486 12.923 -1.172 1.00 0.00 WT2 H ATOM 29023 OH2 TIP3 2163 1.181 -0.035 3.112 1.00 0.00 WT2 O ATOM 29024 H1 TIP3 2163 22.347 -27.289 12.822 1.00 0.00 WT2 H ATOM 29025 H2 TIP3 2163 2.692 13.506 -6.791 1.00 0.00 WT2 H ATOM 29026 OH2 TIP3 2164 2.568 5.585 2.222 1.00 0.00 WT2 O ATOM 29027 H1 TIP3 2164 -14.909 10.696 -18.311 1.00 0.00 WT2 H ATOM 29028 H2 TIP3 2164 6.707 -1.308 11.166 1.00 0.00 WT2 H ATOM 29029 OH2 TIP3 2165 -3.754 -3.184 3.380 1.00 0.00 WT2 O ATOM 29030 H1 TIP3 2165 0.922 1.233 -11.126 1.00 0.00 WT2 H ATOM 29031 H2 TIP3 2165 -11.960 -12.737 10.142 1.00 0.00 WT2 H ATOM 29032 OH2 TIP3 2166 1.778 -0.663 -0.668 1.00 0.00 WT2 O ATOM 29033 H1 TIP3 2166 -17.271 25.352 22.330 1.00 0.00 WT2 H ATOM 29034 H2 TIP3 2166 -5.063 12.629 8.078 1.00 0.00 WT2 H ATOM 29035 OH2 TIP3 2167 3.792 2.576 7.333 1.00 0.00 WT2 O ATOM 29036 H1 TIP3 2167 21.501 5.561 -16.059 1.00 0.00 WT2 H ATOM 29037 H2 TIP3 2167 -17.687 -0.695 35.310 1.00 0.00 WT2 H ATOM 29038 OH2 TIP3 2168 6.275 3.731 2.904 1.00 0.00 WT2 O ATOM 29039 H1 TIP3 2168 18.258 14.995 13.778 1.00 0.00 WT2 H ATOM 29040 H2 TIP3 2168 12.800 -8.454 -18.386 1.00 0.00 WT2 H ATOM 29041 OH2 TIP3 2169 6.979 0.734 6.152 1.00 0.00 WT2 O ATOM 29042 H1 TIP3 2169 13.107 7.504 6.393 1.00 0.00 WT2 H ATOM 29043 H2 TIP3 2169 8.827 -14.758 -12.042 1.00 0.00 WT2 H ATOM 29044 OH2 TIP3 2170 -1.357 0.529 2.942 1.00 0.00 WT2 O ATOM 29045 H1 TIP3 2170 -4.086 -6.098 1.761 1.00 0.00 WT2 H ATOM 29046 H2 TIP3 2170 8.383 8.792 -0.254 1.00 0.00 WT2 H ATOM 29047 OH2 TIP3 2183 5.281 3.199 -1.649 1.00 0.00 WT2 O ATOM 29048 H1 TIP3 2183 0.909 0.108 22.297 1.00 0.00 WT2 H ATOM 29049 H2 TIP3 2183 14.129 11.145 -22.483 1.00 0.00 WT2 H ATOM 29050 OH2 TIP3 2185 -5.882 -2.198 -3.684 1.00 0.00 WT2 O ATOM 29051 H1 TIP3 2185 -24.095 -17.729 -4.640 1.00 0.00 WT2 H ATOM 29052 H2 TIP3 2185 -1.303 -7.031 -0.786 1.00 0.00 WT2 H ATOM 29053 OH2 TIP3 2186 -3.805 -0.652 3.107 1.00 0.00 WT2 O ATOM 29054 H1 TIP3 2186 -15.446 4.343 16.636 1.00 0.00 WT2 H ATOM 29055 H2 TIP3 2186 13.508 -7.531 7.729 1.00 0.00 WT2 H ATOM 29056 OH2 TIP3 2187 3.593 7.489 4.558 1.00 0.00 WT2 O ATOM 29057 H1 TIP3 2187 -0.003 -2.996 21.538 1.00 0.00 WT2 H ATOM 29058 H2 TIP3 2187 1.431 1.008 15.482 1.00 0.00 WT2 H ATOM 29059 OH2 TIP3 2188 2.692 3.970 -2.523 1.00 0.00 WT2 O ATOM 29060 H1 TIP3 2188 15.227 21.575 9.003 1.00 0.00 WT2 H ATOM 29061 H2 TIP3 2188 4.274 -9.915 1.859 1.00 0.00 WT2 H ATOM 29062 OH2 TIP3 2189 0.286 2.814 1.174 1.00 0.00 WT2 O ATOM 29063 H1 TIP3 2189 -2.916 9.015 -4.684 1.00 0.00 WT2 H ATOM 29064 H2 TIP3 2189 6.223 2.159 -2.960 1.00 0.00 WT2 H ATOM 29065 OH2 TIP3 2190 2.221 -3.979 5.904 1.00 0.00 WT2 O ATOM 29066 H1 TIP3 2190 -2.212 -13.094 11.176 1.00 0.00 WT2 H ATOM 29067 H2 TIP3 2190 10.687 -5.123 0.745 1.00 0.00 WT2 H ATOM 29068 OH2 TIP3 2191 3.393 5.897 -5.855 1.00 0.00 WT2 O ATOM 29069 H1 TIP3 2191 -4.821 5.373 -11.226 1.00 0.00 WT2 H ATOM 29070 H2 TIP3 2191 11.485 -4.537 -13.019 1.00 0.00 WT2 H ATOM 29071 OH2 TIP3 2193 0.050 -3.370 2.315 1.00 0.00 WT2 O ATOM 29072 H1 TIP3 2193 -4.080 12.480 2.521 1.00 0.00 WT2 H ATOM 29073 H2 TIP3 2193 -10.047 -1.316 -3.013 1.00 0.00 WT2 H ATOM 29074 OH2 TIP3 2205 3.570 3.002 -2.987 1.00 0.00 WT2 O ATOM 29075 H1 TIP3 2205 1.609 0.979 3.298 1.00 0.00 WT2 H ATOM 29076 H2 TIP3 2205 -16.066 2.344 5.507 1.00 0.00 WT2 H ATOM 29077 OH2 TIP3 2206 1.655 -2.224 1.503 1.00 0.00 WT2 O ATOM 29078 H1 TIP3 2206 -11.303 24.257 -7.919 1.00 0.00 WT2 H ATOM 29079 H2 TIP3 2206 0.597 -1.228 2.293 1.00 0.00 WT2 H ATOM 29080 OH2 TIP3 2207 -2.975 -4.923 1.162 1.00 0.00 WT2 O ATOM 29081 H1 TIP3 2207 7.540 -12.090 8.932 1.00 0.00 WT2 H ATOM 29082 H2 TIP3 2207 -20.961 -3.844 9.284 1.00 0.00 WT2 H ATOM 29083 OH2 TIP3 2208 -2.669 -2.065 -5.481 1.00 0.00 WT2 O ATOM 29084 H1 TIP3 2208 7.839 -6.049 1.415 1.00 0.00 WT2 H ATOM 29085 H2 TIP3 2208 10.038 -3.316 -9.204 1.00 0.00 WT2 H ATOM 29086 OH2 TIP3 2209 -2.779 4.003 1.857 1.00 0.00 WT2 O ATOM 29087 H1 TIP3 2209 -26.263 -2.488 19.483 1.00 0.00 WT2 H ATOM 29088 H2 TIP3 2209 -4.442 32.710 -3.746 1.00 0.00 WT2 H ATOM 29089 OH2 TIP3 2227 -0.143 -6.006 4.153 1.00 0.00 WT2 O ATOM 29090 H1 TIP3 2227 15.876 2.924 -12.635 1.00 0.00 WT2 H ATOM 29091 H2 TIP3 2227 -4.903 9.129 2.453 1.00 0.00 WT2 H ATOM 29092 OH2 TIP3 2228 -4.208 -8.150 -4.916 1.00 0.00 WT2 O ATOM 29093 H1 TIP3 2228 2.424 2.632 -5.277 1.00 0.00 WT2 H ATOM 29094 H2 TIP3 2228 -3.208 1.139 -12.796 1.00 0.00 WT2 H ATOM 29095 OH2 TIP3 2229 -3.075 -1.116 -0.449 1.00 0.00 WT2 O ATOM 29096 H1 TIP3 2229 10.146 8.461 -20.598 1.00 0.00 WT2 H ATOM 29097 H2 TIP3 2229 -15.593 8.980 8.820 1.00 0.00 WT2 H ATOM 29098 OH2 TIP3 2230 0.383 -2.977 1.052 1.00 0.00 WT2 O ATOM 29099 H1 TIP3 2230 -2.584 -2.352 -2.426 1.00 0.00 WT2 H ATOM 29100 H2 TIP3 2230 -6.692 17.112 -10.225 1.00 0.00 WT2 H ATOM 29101 OH2 TIP3 2231 0.759 2.286 6.895 1.00 0.00 WT2 O ATOM 29102 H1 TIP3 2231 2.263 6.520 0.849 1.00 0.00 WT2 H ATOM 29103 H2 TIP3 2231 0.371 1.889 6.959 1.00 0.00 WT2 H ATOM 29104 OH2 TIP3 2232 -5.419 -0.626 9.967 1.00 0.00 WT2 O ATOM 29105 H1 TIP3 2232 -19.955 15.680 -10.634 1.00 0.00 WT2 H ATOM 29106 H2 TIP3 2232 -21.666 -25.038 12.868 1.00 0.00 WT2 H ATOM 29107 OH2 TIP3 2233 -1.823 -1.314 0.527 1.00 0.00 WT2 O ATOM 29108 H1 TIP3 2233 8.609 1.037 -14.307 1.00 0.00 WT2 H ATOM 29109 H2 TIP3 2233 -10.397 -2.751 14.155 1.00 0.00 WT2 H ATOM 29110 OH2 TIP3 2244 6.921 -2.909 2.328 1.00 0.00 WT2 O ATOM 29111 H1 TIP3 2244 1.982 -18.417 19.330 1.00 0.00 WT2 H ATOM 29112 H2 TIP3 2244 -14.916 1.291 -0.543 1.00 0.00 WT2 H ATOM 29113 OH2 TIP3 2250 1.971 3.066 -0.472 1.00 0.00 WT2 O ATOM 29114 H1 TIP3 2250 9.840 -2.292 -20.515 1.00 0.00 WT2 H ATOM 29115 H2 TIP3 2250 7.541 -5.759 30.780 1.00 0.00 WT2 H ATOM 29116 OH2 TIP3 2251 -0.722 -1.164 -0.498 1.00 0.00 WT2 O ATOM 29117 H1 TIP3 2251 -7.581 7.002 -5.050 1.00 0.00 WT2 H ATOM 29118 H2 TIP3 2251 -22.660 -2.642 -6.489 1.00 0.00 WT2 H ATOM 29119 OH2 TIP3 2252 -1.173 -0.876 -3.263 1.00 0.00 WT2 O ATOM 29120 H1 TIP3 2252 -3.565 4.791 8.914 1.00 0.00 WT2 H ATOM 29121 H2 TIP3 2252 -10.599 -4.368 4.104 1.00 0.00 WT2 H ATOM 29122 OH2 TIP3 2253 -0.280 -2.632 4.901 1.00 0.00 WT2 O ATOM 29123 H1 TIP3 2253 10.660 3.438 14.478 1.00 0.00 WT2 H ATOM 29124 H2 TIP3 2253 -9.864 -5.404 -0.211 1.00 0.00 WT2 H ATOM 29125 OH2 TIP3 2254 2.753 -2.557 1.191 1.00 0.00 WT2 O ATOM 29126 H1 TIP3 2254 -12.314 -1.335 -5.021 1.00 0.00 WT2 H ATOM 29127 H2 TIP3 2254 -33.951 -1.822 -12.277 1.00 0.00 WT2 H ATOM 29128 OH2 TIP3 2255 -3.805 -6.108 3.722 1.00 0.00 WT2 O ATOM 29129 H1 TIP3 2255 13.988 2.916 19.796 1.00 0.00 WT2 H ATOM 29130 H2 TIP3 2255 -5.117 -24.439 -0.425 1.00 0.00 WT2 H ATOM 29131 OH2 TIP3 2269 -0.107 0.137 9.005 1.00 0.00 WT2 O ATOM 29132 H1 TIP3 2269 -10.633 0.583 13.117 1.00 0.00 WT2 H ATOM 29133 H2 TIP3 2269 -1.736 9.307 20.337 1.00 0.00 WT2 H ATOM 29134 OH2 TIP3 2270 -2.164 4.061 -1.953 1.00 0.00 WT2 O ATOM 29135 H1 TIP3 2270 12.503 11.006 -17.498 1.00 0.00 WT2 H ATOM 29136 H2 TIP3 2270 9.801 0.275 1.864 1.00 0.00 WT2 H ATOM 29137 OH2 TIP3 2271 11.722 -0.340 6.994 1.00 0.00 WT2 O ATOM 29138 H1 TIP3 2271 16.891 -37.565 -9.291 1.00 0.00 WT2 H ATOM 29139 H2 TIP3 2271 7.755 -13.917 -17.967 1.00 0.00 WT2 H ATOM 29140 OH2 TIP3 2272 2.024 -0.469 3.744 1.00 0.00 WT2 O ATOM 29141 H1 TIP3 2272 -16.080 -19.000 -8.272 1.00 0.00 WT2 H ATOM 29142 H2 TIP3 2272 3.774 -4.842 -11.028 1.00 0.00 WT2 H ATOM 29143 OH2 TIP3 2273 -2.965 3.101 0.409 1.00 0.00 WT2 O ATOM 29144 H1 TIP3 2273 -9.287 7.371 11.143 1.00 0.00 WT2 H ATOM 29145 H2 TIP3 2273 2.154 -3.118 -19.520 1.00 0.00 WT2 H ATOM 29146 OH2 TIP3 2274 -4.774 -2.201 -1.437 1.00 0.00 WT2 O ATOM 29147 H1 TIP3 2274 -0.058 5.873 2.668 1.00 0.00 WT2 H ATOM 29148 H2 TIP3 2274 -4.996 0.751 1.754 1.00 0.00 WT2 H ATOM 29149 OH2 TIP3 2275 1.910 3.036 -5.871 1.00 0.00 WT2 O ATOM 29150 H1 TIP3 2275 11.657 8.774 -7.691 1.00 0.00 WT2 H ATOM 29151 H2 TIP3 2275 -22.422 -12.411 0.421 1.00 0.00 WT2 H ATOM 29152 OH2 TIP3 2276 -6.000 -0.568 -1.438 1.00 0.00 WT2 O ATOM 29153 H1 TIP3 2276 -6.582 6.257 -2.032 1.00 0.00 WT2 H ATOM 29154 H2 TIP3 2276 -5.250 -7.070 0.663 1.00 0.00 WT2 H ATOM 29155 OH2 TIP3 2277 4.319 1.331 -2.457 1.00 0.00 WT2 O ATOM 29156 H1 TIP3 2277 -6.557 -1.862 11.341 1.00 0.00 WT2 H ATOM 29157 H2 TIP3 2277 9.663 0.895 -11.715 1.00 0.00 WT2 H ATOM 29158 OH2 TIP3 2280 -0.246 -2.910 -2.772 1.00 0.00 WT2 O ATOM 29159 H1 TIP3 2280 -8.370 11.782 -14.104 1.00 0.00 WT2 H ATOM 29160 H2 TIP3 2280 -14.439 -10.155 8.018 1.00 0.00 WT2 H ATOM 29161 OH2 TIP3 2288 -1.613 -0.104 1.959 1.00 0.00 WT2 O ATOM 29162 H1 TIP3 2288 -6.819 10.384 -1.873 1.00 0.00 WT2 H ATOM 29163 H2 TIP3 2288 -15.361 20.983 -3.043 1.00 0.00 WT2 H ATOM 29164 OH2 TIP3 2290 -2.252 1.000 -3.067 1.00 0.00 WT2 O ATOM 29165 H1 TIP3 2290 14.226 -10.434 -4.423 1.00 0.00 WT2 H ATOM 29166 H2 TIP3 2290 7.017 -9.591 16.262 1.00 0.00 WT2 H ATOM 29167 OH2 TIP3 2292 -5.516 0.413 -0.054 1.00 0.00 WT2 O ATOM 29168 H1 TIP3 2292 -19.148 1.476 -21.942 1.00 0.00 WT2 H ATOM 29169 H2 TIP3 2292 12.176 -24.933 0.023 1.00 0.00 WT2 H ATOM 29170 OH2 TIP3 2293 4.381 0.953 1.221 1.00 0.00 WT2 O ATOM 29171 H1 TIP3 2293 5.597 1.313 6.318 1.00 0.00 WT2 H ATOM 29172 H2 TIP3 2293 4.791 3.348 1.365 1.00 0.00 WT2 H ATOM 29173 OH2 TIP3 2294 -2.532 4.407 -3.561 1.00 0.00 WT2 O ATOM 29174 H1 TIP3 2294 1.087 -2.843 -7.068 1.00 0.00 WT2 H ATOM 29175 H2 TIP3 2294 -4.376 -4.575 -9.528 1.00 0.00 WT2 H ATOM 29176 OH2 TIP3 2296 -2.624 -2.887 -2.206 1.00 0.00 WT2 O ATOM 29177 H1 TIP3 2296 -12.589 4.686 5.000 1.00 0.00 WT2 H ATOM 29178 H2 TIP3 2296 -8.904 2.721 2.680 1.00 0.00 WT2 H ATOM 29179 OH2 TIP3 2309 4.063 1.875 -5.837 1.00 0.00 WT2 O ATOM 29180 H1 TIP3 2309 -0.719 -1.661 -7.848 1.00 0.00 WT2 H ATOM 29181 H2 TIP3 2309 2.545 -10.757 -12.112 1.00 0.00 WT2 H ATOM 29182 OH2 TIP3 2311 1.666 -6.822 -1.243 1.00 0.00 WT2 O ATOM 29183 H1 TIP3 2311 3.288 -4.958 -1.653 1.00 0.00 WT2 H ATOM 29184 H2 TIP3 2311 2.384 -6.469 -1.569 1.00 0.00 WT2 H ATOM 29185 OH2 TIP3 2312 -2.214 5.838 -3.969 1.00 0.00 WT2 O ATOM 29186 H1 TIP3 2312 10.918 14.331 14.661 1.00 0.00 WT2 H ATOM 29187 H2 TIP3 2312 0.578 7.001 1.772 1.00 0.00 WT2 H ATOM 29188 OH2 TIP3 2313 -1.467 1.450 -2.383 1.00 0.00 WT2 O ATOM 29189 H1 TIP3 2313 -27.570 -10.665 -20.243 1.00 0.00 WT2 H ATOM 29190 H2 TIP3 2313 -10.780 -6.187 30.834 1.00 0.00 WT2 H ATOM 29191 OH2 TIP3 2314 -0.723 -2.776 -2.731 1.00 0.00 WT2 O ATOM 29192 H1 TIP3 2314 -4.222 16.373 4.981 1.00 0.00 WT2 H ATOM 29193 H2 TIP3 2314 -1.131 -5.498 -2.575 1.00 0.00 WT2 H ATOM 29194 OH2 TIP3 2315 4.574 -5.195 8.574 1.00 0.00 WT2 O ATOM 29195 H1 TIP3 2315 5.305 -6.639 10.318 1.00 0.00 WT2 H ATOM 29196 H2 TIP3 2315 4.690 -14.954 5.714 1.00 0.00 WT2 H ATOM 29197 OH2 TIP3 2316 -1.220 2.076 -2.697 1.00 0.00 WT2 O ATOM 29198 H1 TIP3 2316 17.973 27.158 5.187 1.00 0.00 WT2 H ATOM 29199 H2 TIP3 2316 5.796 -3.117 -32.136 1.00 0.00 WT2 H ATOM 29200 OH2 TIP3 2317 8.199 -10.708 -1.766 1.00 0.00 WT2 O ATOM 29201 H1 TIP3 2317 11.014 6.379 -6.535 1.00 0.00 WT2 H ATOM 29202 H2 TIP3 2317 0.120 -10.073 -3.394 1.00 0.00 WT2 H ATOM 29203 OH2 TIP3 2318 -0.946 -0.680 -3.584 1.00 0.00 WT2 O ATOM 29204 H1 TIP3 2318 2.681 -7.405 7.397 1.00 0.00 WT2 H ATOM 29205 H2 TIP3 2318 -11.291 7.516 -21.242 1.00 0.00 WT2 H ATOM 29206 OH2 TIP3 2319 -1.355 1.876 0.798 1.00 0.00 WT2 O ATOM 29207 H1 TIP3 2319 8.731 -2.299 16.313 1.00 0.00 WT2 H ATOM 29208 H2 TIP3 2319 6.731 -12.878 -3.095 1.00 0.00 WT2 H ATOM 29209 OH2 TIP3 2329 -8.982 3.354 -2.564 1.00 0.00 WT2 O ATOM 29210 H1 TIP3 2329 11.440 -15.870 -17.503 1.00 0.00 WT2 H ATOM 29211 H2 TIP3 2329 9.257 0.408 18.539 1.00 0.00 WT2 H ATOM 29212 OH2 TIP3 2331 1.612 2.223 -3.106 1.00 0.00 WT2 O ATOM 29213 H1 TIP3 2331 -1.511 -5.730 -11.202 1.00 0.00 WT2 H ATOM 29214 H2 TIP3 2331 12.437 4.959 -6.438 1.00 0.00 WT2 H ATOM 29215 OH2 TIP3 2332 -1.746 1.179 -2.060 1.00 0.00 WT2 O ATOM 29216 H1 TIP3 2332 5.427 0.844 11.762 1.00 0.00 WT2 H ATOM 29217 H2 TIP3 2332 21.890 -9.957 23.749 1.00 0.00 WT2 H ATOM 29218 OH2 TIP3 2333 1.141 1.301 2.434 1.00 0.00 WT2 O ATOM 29219 H1 TIP3 2333 -8.158 -10.438 -7.605 1.00 0.00 WT2 H ATOM 29220 H2 TIP3 2333 -9.447 0.389 -7.987 1.00 0.00 WT2 H ATOM 29221 OH2 TIP3 2335 -3.486 -7.870 3.955 1.00 0.00 WT2 O ATOM 29222 H1 TIP3 2335 -3.511 -7.413 -10.128 1.00 0.00 WT2 H ATOM 29223 H2 TIP3 2335 -0.181 -7.897 -11.036 1.00 0.00 WT2 H ATOM 29224 OH2 TIP3 2336 -7.825 3.994 5.671 1.00 0.00 WT2 O ATOM 29225 H1 TIP3 2336 -10.732 -11.922 -8.467 1.00 0.00 WT2 H ATOM 29226 H2 TIP3 2336 4.483 -16.705 -13.796 1.00 0.00 WT2 H ATOM 29227 OH2 TIP3 2337 2.722 -3.511 0.575 1.00 0.00 WT2 O ATOM 29228 H1 TIP3 2337 3.844 11.160 15.097 1.00 0.00 WT2 H ATOM 29229 H2 TIP3 2337 13.712 7.640 -1.866 1.00 0.00 WT2 H ATOM 29230 OH2 TIP3 2338 5.370 -5.892 0.832 1.00 0.00 WT2 O ATOM 29231 H1 TIP3 2338 5.574 -2.652 10.114 1.00 0.00 WT2 H ATOM 29232 H2 TIP3 2338 5.236 -0.703 -3.595 1.00 0.00 WT2 H ATOM 29233 OH2 TIP3 2339 6.329 1.126 -0.762 1.00 0.00 WT2 O ATOM 29234 H1 TIP3 2339 -20.245 -14.548 -28.269 1.00 0.00 WT2 H ATOM 29235 H2 TIP3 2339 0.789 -6.506 -2.982 1.00 0.00 WT2 H ATOM 29236 OH2 TIP3 2351 1.188 1.353 0.115 1.00 0.00 WT2 O ATOM 29237 H1 TIP3 2351 -0.159 -6.459 -2.370 1.00 0.00 WT2 H ATOM 29238 H2 TIP3 2351 0.161 0.677 1.339 1.00 0.00 WT2 H ATOM 29239 OH2 TIP3 2352 -1.524 1.906 1.896 1.00 0.00 WT2 O ATOM 29240 H1 TIP3 2352 -8.539 1.455 -3.906 1.00 0.00 WT2 H ATOM 29241 H2 TIP3 2352 -6.836 3.544 15.639 1.00 0.00 WT2 H ATOM 29242 OH2 TIP3 2354 -0.284 0.470 -3.155 1.00 0.00 WT2 O ATOM 29243 H1 TIP3 2354 6.133 8.151 45.566 1.00 0.00 WT2 H ATOM 29244 H2 TIP3 2354 4.292 5.764 2.398 1.00 0.00 WT2 H ATOM 29245 OH2 TIP3 2355 -6.385 -0.730 2.968 1.00 0.00 WT2 O ATOM 29246 H1 TIP3 2355 -4.172 7.941 7.456 1.00 0.00 WT2 H ATOM 29247 H2 TIP3 2355 1.905 11.186 -12.197 1.00 0.00 WT2 H ATOM 29248 OH2 TIP3 2357 -3.320 3.756 -3.424 1.00 0.00 WT2 O ATOM 29249 H1 TIP3 2357 -7.232 3.697 -0.732 1.00 0.00 WT2 H ATOM 29250 H2 TIP3 2357 2.409 -0.280 -0.469 1.00 0.00 WT2 H ATOM 29251 OH2 TIP3 2358 1.946 1.939 9.642 1.00 0.00 WT2 O ATOM 29252 H1 TIP3 2358 5.201 -0.031 4.415 1.00 0.00 WT2 H ATOM 29253 H2 TIP3 2358 -10.828 -2.576 7.528 1.00 0.00 WT2 H ATOM 29254 OH2 TIP3 2359 1.141 -1.203 -4.878 1.00 0.00 WT2 O ATOM 29255 H1 TIP3 2359 -12.009 -1.196 -5.422 1.00 0.00 WT2 H ATOM 29256 H2 TIP3 2359 -1.940 14.293 -14.334 1.00 0.00 WT2 H ATOM 29257 OH2 TIP3 2376 -0.893 1.221 1.235 1.00 0.00 WT2 O ATOM 29258 H1 TIP3 2376 10.577 -4.853 7.802 1.00 0.00 WT2 H ATOM 29259 H2 TIP3 2376 33.105 17.471 0.281 1.00 0.00 WT2 H ATOM 29260 OH2 TIP3 2377 -4.989 -0.665 1.679 1.00 0.00 WT2 O ATOM 29261 H1 TIP3 2377 -16.385 -0.909 0.377 1.00 0.00 WT2 H ATOM 29262 H2 TIP3 2377 29.476 6.504 -4.552 1.00 0.00 WT2 H ATOM 29263 OH2 TIP3 2378 0.919 3.948 0.490 1.00 0.00 WT2 O ATOM 29264 H1 TIP3 2378 -1.147 -4.162 -0.006 1.00 0.00 WT2 H ATOM 29265 H2 TIP3 2378 3.547 6.984 8.266 1.00 0.00 WT2 H ATOM 29266 OH2 TIP3 2380 -2.902 1.210 0.982 1.00 0.00 WT2 O ATOM 29267 H1 TIP3 2380 -5.765 -3.753 8.785 1.00 0.00 WT2 H ATOM 29268 H2 TIP3 2380 -1.422 -8.495 -4.638 1.00 0.00 WT2 H ATOM 29269 OH2 TIP3 2395 -5.567 6.609 -2.342 1.00 0.00 WT2 O ATOM 29270 H1 TIP3 2395 -1.327 15.975 7.107 1.00 0.00 WT2 H ATOM 29271 H2 TIP3 2395 -1.652 7.136 -0.276 1.00 0.00 WT2 H ATOM 29272 OH2 TIP3 2397 1.154 0.853 0.688 1.00 0.00 WT2 O ATOM 29273 H1 TIP3 2397 -5.939 10.448 -19.036 1.00 0.00 WT2 H ATOM 29274 H2 TIP3 2397 11.323 -21.511 -16.576 1.00 0.00 WT2 H ATOM 29275 OH2 TIP3 2398 -1.946 -4.983 -0.051 1.00 0.00 WT2 O ATOM 29276 H1 TIP3 2398 2.260 24.270 -2.885 1.00 0.00 WT2 H ATOM 29277 H2 TIP3 2398 1.086 7.341 -5.767 1.00 0.00 WT2 H ATOM 29278 OH2 TIP3 2399 -6.841 0.214 -0.343 1.00 0.00 WT2 O ATOM 29279 H1 TIP3 2399 8.473 1.814 9.049 1.00 0.00 WT2 H ATOM 29280 H2 TIP3 2399 6.266 -5.784 -3.926 1.00 0.00 WT2 H ATOM 29281 OH2 TIP3 2400 -4.994 2.072 -4.648 1.00 0.00 WT2 O ATOM 29282 H1 TIP3 2400 -8.023 10.694 20.033 1.00 0.00 WT2 H ATOM 29283 H2 TIP3 2400 -14.732 -11.251 -16.897 1.00 0.00 WT2 H ATOM 29284 OH2 TIP3 2416 -1.765 -3.989 -4.678 1.00 0.00 WT2 O ATOM 29285 H1 TIP3 2416 -8.882 3.075 -15.328 1.00 0.00 WT2 H ATOM 29286 H2 TIP3 2416 11.660 -4.367 2.638 1.00 0.00 WT2 H ATOM 29287 OH2 TIP3 2417 -3.580 -2.414 2.866 1.00 0.00 WT2 O ATOM 29288 H1 TIP3 2417 -4.966 19.312 11.755 1.00 0.00 WT2 H ATOM 29289 H2 TIP3 2417 -13.526 27.578 4.743 1.00 0.00 WT2 H ATOM 29290 OH2 TIP3 2418 -0.803 -0.720 -2.263 1.00 0.00 WT2 O ATOM 29291 H1 TIP3 2418 -18.226 5.628 -5.216 1.00 0.00 WT2 H ATOM 29292 H2 TIP3 2418 27.019 -24.918 0.051 1.00 0.00 WT2 H ATOM 29293 OH2 TIP3 2419 0.245 -11.114 -0.824 1.00 0.00 WT2 O ATOM 29294 H1 TIP3 2419 -4.337 -9.087 -7.152 1.00 0.00 WT2 H ATOM 29295 H2 TIP3 2419 19.061 12.949 7.403 1.00 0.00 WT2 H ATOM 29296 OH2 TIP3 2421 12.085 1.843 4.659 1.00 0.00 WT2 O ATOM 29297 H1 TIP3 2421 8.628 -4.901 5.658 1.00 0.00 WT2 H ATOM 29298 H2 TIP3 2421 6.195 3.545 3.282 1.00 0.00 WT2 H ATOM 29299 OH2 TIP3 2423 -2.771 -5.837 -3.851 1.00 0.00 WT2 O ATOM 29300 H1 TIP3 2423 3.217 -7.955 -14.345 1.00 0.00 WT2 H ATOM 29301 H2 TIP3 2423 -3.514 6.024 1.527 1.00 0.00 WT2 H ATOM 29302 OH2 TIP3 2436 -6.722 -5.905 0.189 1.00 0.00 WT2 O ATOM 29303 H1 TIP3 2436 20.717 8.275 9.277 1.00 0.00 WT2 H ATOM 29304 H2 TIP3 2436 -20.925 -12.172 -8.278 1.00 0.00 WT2 H ATOM 29305 OH2 TIP3 2438 1.293 -3.465 -0.949 1.00 0.00 WT2 O ATOM 29306 H1 TIP3 2438 14.193 -8.524 3.312 1.00 0.00 WT2 H ATOM 29307 H2 TIP3 2438 30.444 -15.972 0.151 1.00 0.00 WT2 H ATOM 29308 OH2 TIP3 2440 -0.618 -5.798 -0.766 1.00 0.00 WT2 O ATOM 29309 H1 TIP3 2440 -7.161 -14.766 7.541 1.00 0.00 WT2 H ATOM 29310 H2 TIP3 2440 0.102 -5.476 0.222 1.00 0.00 WT2 H ATOM 29311 OH2 TIP3 2441 -8.098 -0.405 -2.720 1.00 0.00 WT2 O ATOM 29312 H1 TIP3 2441 -3.460 -7.381 5.340 1.00 0.00 WT2 H ATOM 29313 H2 TIP3 2441 -21.019 -3.987 -5.073 1.00 0.00 WT2 H ATOM 29314 OH2 TIP3 2442 -1.903 -5.566 -2.194 1.00 0.00 WT2 O ATOM 29315 H1 TIP3 2442 2.469 -22.774 0.330 1.00 0.00 WT2 H ATOM 29316 H2 TIP3 2442 -15.296 7.983 -6.898 1.00 0.00 WT2 H ATOM 29317 OH2 TIP3 2447 -0.312 -2.128 1.986 1.00 0.00 WT2 O ATOM 29318 H1 TIP3 2447 0.911 -3.356 3.817 1.00 0.00 WT2 H ATOM 29319 H2 TIP3 2447 -7.568 1.552 -5.955 1.00 0.00 WT2 H ATOM 29320 OH2 TIP3 2458 -12.038 -0.709 0.860 1.00 0.00 WT2 O ATOM 29321 H1 TIP3 2458 -5.169 -10.412 4.837 1.00 0.00 WT2 H ATOM 29322 H2 TIP3 2458 -4.473 5.319 -7.318 1.00 0.00 WT2 H ATOM 29323 OH2 TIP3 2459 1.126 2.595 -2.309 1.00 0.00 WT2 O ATOM 29324 H1 TIP3 2459 -7.044 -0.188 6.202 1.00 0.00 WT2 H ATOM 29325 H2 TIP3 2459 -20.004 -4.937 17.744 1.00 0.00 WT2 H ATOM 29326 OH2 TIP3 2460 -2.797 -0.621 1.749 1.00 0.00 WT2 O ATOM 29327 H1 TIP3 2460 -2.719 -3.079 5.596 1.00 0.00 WT2 H ATOM 29328 H2 TIP3 2460 -5.899 0.281 4.786 1.00 0.00 WT2 H ATOM 29329 OH2 TIP3 2461 -8.279 -6.909 -5.457 1.00 0.00 WT2 O ATOM 29330 H1 TIP3 2461 -7.417 1.029 -20.063 1.00 0.00 WT2 H ATOM 29331 H2 TIP3 2461 -2.041 -9.232 -13.827 1.00 0.00 WT2 H ATOM 29332 OH2 TIP3 2463 -2.003 6.718 8.031 1.00 0.00 WT2 O ATOM 29333 H1 TIP3 2463 4.694 21.668 -4.141 1.00 0.00 WT2 H ATOM 29334 H2 TIP3 2463 -14.377 5.317 -10.148 1.00 0.00 WT2 H ATOM 29335 OH2 TIP3 2465 10.987 0.284 -2.354 1.00 0.00 WT2 O ATOM 29336 H1 TIP3 2465 -4.527 3.068 -17.060 1.00 0.00 WT2 H ATOM 29337 H2 TIP3 2465 16.309 -18.510 6.505 1.00 0.00 WT2 H ATOM 29338 OH2 TIP3 2477 2.023 1.222 -1.820 1.00 0.00 WT2 O ATOM 29339 H1 TIP3 2477 29.095 -2.538 -11.107 1.00 0.00 WT2 H ATOM 29340 H2 TIP3 2477 -24.932 -4.965 5.868 1.00 0.00 WT2 H ATOM 29341 OH2 TIP3 2480 -0.237 -7.952 5.013 1.00 0.00 WT2 O ATOM 29342 H1 TIP3 2480 -15.486 -12.936 -0.365 1.00 0.00 WT2 H ATOM 29343 H2 TIP3 2480 4.443 3.854 0.483 1.00 0.00 WT2 H ATOM 29344 OH2 TIP3 2482 8.921 1.202 -4.240 1.00 0.00 WT2 O ATOM 29345 H1 TIP3 2482 1.006 -4.734 -19.396 1.00 0.00 WT2 H ATOM 29346 H2 TIP3 2482 -9.209 13.376 27.135 1.00 0.00 WT2 H ATOM 29347 OH2 TIP3 2483 8.119 2.375 11.929 1.00 0.00 WT2 O ATOM 29348 H1 TIP3 2483 13.189 -16.478 3.260 1.00 0.00 WT2 H ATOM 29349 H2 TIP3 2483 8.339 -2.918 34.551 1.00 0.00 WT2 H ATOM 29350 OH2 TIP3 2484 2.540 -5.039 2.719 1.00 0.00 WT2 O ATOM 29351 H1 TIP3 2484 2.337 -2.825 3.495 1.00 0.00 WT2 H ATOM 29352 H2 TIP3 2484 -15.062 19.465 17.708 1.00 0.00 WT2 H ATOM 29353 OH2 TIP3 2499 -0.097 -3.159 0.768 1.00 0.00 WT2 O ATOM 29354 H1 TIP3 2499 17.769 5.068 15.416 1.00 0.00 WT2 H ATOM 29355 H2 TIP3 2499 9.260 2.006 10.503 1.00 0.00 WT2 H ATOM 29356 OH2 TIP3 2500 0.117 2.340 4.547 1.00 0.00 WT2 O ATOM 29357 H1 TIP3 2500 -14.413 9.377 25.221 1.00 0.00 WT2 H ATOM 29358 H2 TIP3 2500 1.363 -1.122 -9.215 1.00 0.00 WT2 H ATOM 29359 OH2 TIP3 2503 8.466 4.465 1.694 1.00 0.00 WT2 O ATOM 29360 H1 TIP3 2503 4.271 21.199 -13.363 1.00 0.00 WT2 H ATOM 29361 H2 TIP3 2503 -38.730 -12.414 -6.690 1.00 0.00 WT2 H ATOM 29362 OH2 TIP3 2508 6.763 -11.095 5.360 1.00 0.00 WT2 O ATOM 29363 H1 TIP3 2508 16.687 -7.544 -9.942 1.00 0.00 WT2 H ATOM 29364 H2 TIP3 2508 -14.398 -4.640 -1.018 1.00 0.00 WT2 H ATOM 29365 OH2 TIP3 2519 4.133 1.451 -1.334 1.00 0.00 WT2 O ATOM 29366 H1 TIP3 2519 29.098 12.454 -7.656 1.00 0.00 WT2 H ATOM 29367 H2 TIP3 2519 -30.551 -22.398 19.916 1.00 0.00 WT2 H ATOM 29368 OH2 TIP3 2521 4.412 3.931 0.576 1.00 0.00 WT2 O ATOM 29369 H1 TIP3 2521 -2.336 0.279 9.517 1.00 0.00 WT2 H ATOM 29370 H2 TIP3 2521 9.372 11.457 -2.848 1.00 0.00 WT2 H ATOM 29371 OH2 TIP3 2522 -4.152 2.440 -0.456 1.00 0.00 WT2 O ATOM 29372 H1 TIP3 2522 -3.056 1.957 3.121 1.00 0.00 WT2 H ATOM 29373 H2 TIP3 2522 -5.024 1.503 2.668 1.00 0.00 WT2 H ATOM 29374 OH2 TIP3 2523 -4.867 -4.450 -1.636 1.00 0.00 WT2 O ATOM 29375 H1 TIP3 2523 2.323 -7.473 -5.586 1.00 0.00 WT2 H ATOM 29376 H2 TIP3 2523 -2.811 -5.533 -3.256 1.00 0.00 WT2 H ATOM 29377 OH2 TIP3 2525 3.115 2.445 4.538 1.00 0.00 WT2 O ATOM 29378 H1 TIP3 2525 2.648 1.155 6.846 1.00 0.00 WT2 H ATOM 29379 H2 TIP3 2525 5.396 4.077 4.569 1.00 0.00 WT2 H ATOM 29380 OH2 TIP3 2526 1.421 -5.159 5.822 1.00 0.00 WT2 O ATOM 29381 H1 TIP3 2526 20.435 4.671 16.177 1.00 0.00 WT2 H ATOM 29382 H2 TIP3 2526 -7.559 10.431 -4.783 1.00 0.00 WT2 H ATOM 29383 OH2 TIP3 2527 -3.516 -3.309 6.131 1.00 0.00 WT2 O ATOM 29384 H1 TIP3 2527 -7.151 -0.382 -2.747 1.00 0.00 WT2 H ATOM 29385 H2 TIP3 2527 -5.069 0.530 3.545 1.00 0.00 WT2 H ATOM 29386 OH2 TIP3 2528 -0.989 0.049 -2.450 1.00 0.00 WT2 O ATOM 29387 H1 TIP3 2528 1.840 -7.460 -1.914 1.00 0.00 WT2 H ATOM 29388 H2 TIP3 2528 -5.434 -13.969 0.158 1.00 0.00 WT2 H ATOM 29389 OH2 TIP3 2529 -0.099 8.189 -2.285 1.00 0.00 WT2 O ATOM 29390 H1 TIP3 2529 -8.807 12.021 26.898 1.00 0.00 WT2 H ATOM 29391 H2 TIP3 2529 -0.986 11.116 4.150 1.00 0.00 WT2 H ATOM 29392 OH2 TIP3 2539 0.600 -5.017 4.028 1.00 0.00 WT2 O ATOM 29393 H1 TIP3 2539 5.283 -5.088 6.843 1.00 0.00 WT2 H ATOM 29394 H2 TIP3 2539 -11.011 -7.274 14.624 1.00 0.00 WT2 H ATOM 29395 OH2 TIP3 2540 1.395 -0.704 11.264 1.00 0.00 WT2 O ATOM 29396 H1 TIP3 2540 -20.486 -23.879 17.574 1.00 0.00 WT2 H ATOM 29397 H2 TIP3 2540 1.746 -13.060 -9.626 1.00 0.00 WT2 H ATOM 29398 OH2 TIP3 2541 -2.669 2.155 -5.495 1.00 0.00 WT2 O ATOM 29399 H1 TIP3 2541 -17.076 14.587 -18.937 1.00 0.00 WT2 H ATOM 29400 H2 TIP3 2541 -0.146 -2.861 -3.858 1.00 0.00 WT2 H ATOM 29401 OH2 TIP3 2544 4.102 5.955 2.090 1.00 0.00 WT2 O ATOM 29402 H1 TIP3 2544 -11.116 11.544 11.478 1.00 0.00 WT2 H ATOM 29403 H2 TIP3 2544 15.161 -7.508 4.976 1.00 0.00 WT2 H ATOM 29404 OH2 TIP3 2545 -3.076 -0.742 -4.882 1.00 0.00 WT2 O ATOM 29405 H1 TIP3 2545 -5.171 1.454 -3.978 1.00 0.00 WT2 H ATOM 29406 H2 TIP3 2545 2.738 -3.152 2.862 1.00 0.00 WT2 H ATOM 29407 OH2 TIP3 2547 -1.164 -1.211 -0.878 1.00 0.00 WT2 O ATOM 29408 H1 TIP3 2547 -19.038 10.947 -5.921 1.00 0.00 WT2 H ATOM 29409 H2 TIP3 2547 18.917 -3.851 -10.945 1.00 0.00 WT2 H ATOM 29410 OH2 TIP3 2548 -2.343 1.164 -4.103 1.00 0.00 WT2 O ATOM 29411 H1 TIP3 2548 -16.014 0.708 -1.398 1.00 0.00 WT2 H ATOM 29412 H2 TIP3 2548 -6.150 -4.805 20.391 1.00 0.00 WT2 H ATOM 29413 OH2 TIP3 2562 3.221 2.026 4.319 1.00 0.00 WT2 O ATOM 29414 H1 TIP3 2562 -18.908 7.151 -7.769 1.00 0.00 WT2 H ATOM 29415 H2 TIP3 2562 -6.746 1.522 -0.580 1.00 0.00 WT2 H ATOM 29416 OH2 TIP3 2563 -11.531 5.438 2.196 1.00 0.00 WT2 O ATOM 29417 H1 TIP3 2563 -0.954 6.512 -8.318 1.00 0.00 WT2 H ATOM 29418 H2 TIP3 2563 -2.423 5.820 -15.735 1.00 0.00 WT2 H ATOM 29419 OH2 TIP3 2564 -2.184 2.720 0.168 1.00 0.00 WT2 O ATOM 29420 H1 TIP3 2564 11.638 -1.221 -11.958 1.00 0.00 WT2 H ATOM 29421 H2 TIP3 2564 8.031 7.757 30.865 1.00 0.00 WT2 H ATOM 29422 OH2 TIP3 2565 1.129 -0.359 0.434 1.00 0.00 WT2 O ATOM 29423 H1 TIP3 2565 11.440 14.258 -2.380 1.00 0.00 WT2 H ATOM 29424 H2 TIP3 2565 -23.459 -22.302 8.528 1.00 0.00 WT2 H ATOM 29425 OH2 TIP3 2566 -1.463 8.307 -3.420 1.00 0.00 WT2 O ATOM 29426 H1 TIP3 2566 -7.387 -14.973 -43.317 1.00 0.00 WT2 H ATOM 29427 H2 TIP3 2566 7.250 -12.474 -24.085 1.00 0.00 WT2 H ATOM 29428 OH2 TIP3 2567 5.568 -4.226 3.953 1.00 0.00 WT2 O ATOM 29429 H1 TIP3 2567 -1.658 10.079 4.215 1.00 0.00 WT2 H ATOM 29430 H2 TIP3 2567 0.158 -7.719 8.771 1.00 0.00 WT2 H ATOM 29431 OH2 TIP3 2570 0.995 3.526 3.718 1.00 0.00 WT2 O ATOM 29432 H1 TIP3 2570 -6.412 12.820 -4.297 1.00 0.00 WT2 H ATOM 29433 H2 TIP3 2570 -5.375 11.144 -2.688 1.00 0.00 WT2 H ATOM 29434 OH2 TIP3 2573 -4.934 0.446 1.167 1.00 0.00 WT2 O ATOM 29435 H1 TIP3 2573 -8.258 -0.408 6.702 1.00 0.00 WT2 H ATOM 29436 H2 TIP3 2573 0.712 1.661 -8.526 1.00 0.00 WT2 H ATOM 29437 OH2 TIP3 2580 -1.223 -3.701 -5.931 1.00 0.00 WT2 O ATOM 29438 H1 TIP3 2580 3.917 -2.405 -10.158 1.00 0.00 WT2 H ATOM 29439 H2 TIP3 2580 -1.378 -7.085 -4.903 1.00 0.00 WT2 H ATOM 29440 OH2 TIP3 2582 4.490 2.729 2.684 1.00 0.00 WT2 O ATOM 29441 H1 TIP3 2582 -3.447 -21.891 4.405 1.00 0.00 WT2 H ATOM 29442 H2 TIP3 2582 0.743 -7.136 2.505 1.00 0.00 WT2 H ATOM 29443 OH2 TIP3 2584 5.112 3.799 -1.406 1.00 0.00 WT2 O ATOM 29444 H1 TIP3 2584 17.443 13.454 -4.808 1.00 0.00 WT2 H ATOM 29445 H2 TIP3 2584 6.138 -9.352 -12.950 1.00 0.00 WT2 H ATOM 29446 OH2 TIP3 2588 2.189 7.021 -8.450 1.00 0.00 WT2 O ATOM 29447 H1 TIP3 2588 21.491 18.377 -10.413 1.00 0.00 WT2 H ATOM 29448 H2 TIP3 2588 13.024 26.963 -1.104 1.00 0.00 WT2 H ATOM 29449 OH2 TIP3 2589 5.187 6.334 2.425 1.00 0.00 WT2 O ATOM 29450 H1 TIP3 2589 20.877 -4.994 19.820 1.00 0.00 WT2 H ATOM 29451 H2 TIP3 2589 22.805 -6.093 -7.215 1.00 0.00 WT2 H ATOM 29452 OH2 TIP3 2606 -0.676 2.232 3.782 1.00 0.00 WT2 O ATOM 29453 H1 TIP3 2606 -4.406 0.275 -7.817 1.00 0.00 WT2 H ATOM 29454 H2 TIP3 2606 -4.404 2.518 3.891 1.00 0.00 WT2 H ATOM 29455 OH2 TIP3 2607 4.290 0.089 -4.198 1.00 0.00 WT2 O ATOM 29456 H1 TIP3 2607 -10.904 -2.694 -10.470 1.00 0.00 WT2 H ATOM 29457 H2 TIP3 2607 2.682 -1.349 -3.342 1.00 0.00 WT2 H ATOM 29458 OH2 TIP3 2608 -0.166 5.724 -4.379 1.00 0.00 WT2 O ATOM 29459 H1 TIP3 2608 -0.972 10.453 -4.352 1.00 0.00 WT2 H ATOM 29460 H2 TIP3 2608 10.837 3.500 -8.721 1.00 0.00 WT2 H ATOM 29461 OH2 TIP3 2610 -3.245 3.421 4.315 1.00 0.00 WT2 O ATOM 29462 H1 TIP3 2610 2.831 5.199 -26.345 1.00 0.00 WT2 H ATOM 29463 H2 TIP3 2610 -3.949 6.590 13.852 1.00 0.00 WT2 H ATOM 29464 OH2 TIP3 2628 -0.812 0.804 0.809 1.00 0.00 WT2 O ATOM 29465 H1 TIP3 2628 -22.020 23.945 4.403 1.00 0.00 WT2 H ATOM 29466 H2 TIP3 2628 4.230 -11.502 -7.179 1.00 0.00 WT2 H ATOM 29467 OH2 TIP3 2631 0.199 -4.053 -3.849 1.00 0.00 WT2 O ATOM 29468 H1 TIP3 2631 -3.436 -2.481 3.565 1.00 0.00 WT2 H ATOM 29469 H2 TIP3 2631 16.440 0.065 -9.228 1.00 0.00 WT2 H ATOM 29470 OH2 TIP3 2632 -2.661 -3.515 -2.306 1.00 0.00 WT2 O ATOM 29471 H1 TIP3 2632 -26.618 13.821 -8.903 1.00 0.00 WT2 H ATOM 29472 H2 TIP3 2632 2.169 8.538 -6.526 1.00 0.00 WT2 H ATOM 29473 OH2 TIP3 2634 6.845 2.861 -3.284 1.00 0.00 WT2 O ATOM 29474 H1 TIP3 2634 -6.758 -6.541 7.497 1.00 0.00 WT2 H ATOM 29475 H2 TIP3 2634 -9.499 20.668 0.597 1.00 0.00 WT2 H ATOM 29476 OH2 TIP3 2635 -0.814 5.112 4.830 1.00 0.00 WT2 O ATOM 29477 H1 TIP3 2635 -1.502 6.572 15.486 1.00 0.00 WT2 H ATOM 29478 H2 TIP3 2635 6.805 2.347 4.960 1.00 0.00 WT2 H ATOM 29479 OH2 TIP3 2643 3.173 -1.490 -6.826 1.00 0.00 WT2 O ATOM 29480 H1 TIP3 2643 4.527 -4.366 -2.157 1.00 0.00 WT2 H ATOM 29481 H2 TIP3 2643 2.398 3.806 -16.080 1.00 0.00 WT2 H ATOM 29482 OH2 TIP3 2648 -0.117 1.737 -2.068 1.00 0.00 WT2 O ATOM 29483 H1 TIP3 2648 -13.428 7.529 -3.361 1.00 0.00 WT2 H ATOM 29484 H2 TIP3 2648 1.744 9.052 -13.492 1.00 0.00 WT2 H ATOM 29485 OH2 TIP3 2649 3.536 0.596 1.111 1.00 0.00 WT2 O ATOM 29486 H1 TIP3 2649 5.577 0.988 -9.292 1.00 0.00 WT2 H ATOM 29487 H2 TIP3 2649 4.449 2.562 -3.166 1.00 0.00 WT2 H ATOM 29488 OH2 TIP3 2650 1.821 -2.252 -1.828 1.00 0.00 WT2 O ATOM 29489 H1 TIP3 2650 -0.548 -11.262 2.761 1.00 0.00 WT2 H ATOM 29490 H2 TIP3 2650 -24.636 -22.212 14.569 1.00 0.00 WT2 H ATOM 29491 OH2 TIP3 2651 -0.661 -5.324 2.083 1.00 0.00 WT2 O ATOM 29492 H1 TIP3 2651 -4.826 -17.105 -8.532 1.00 0.00 WT2 H ATOM 29493 H2 TIP3 2651 2.496 4.228 -2.082 1.00 0.00 WT2 H ATOM 29494 OH2 TIP3 2653 4.464 0.145 7.560 1.00 0.00 WT2 O ATOM 29495 H1 TIP3 2653 -20.081 16.967 5.212 1.00 0.00 WT2 H ATOM 29496 H2 TIP3 2653 -22.573 5.681 29.092 1.00 0.00 WT2 H ATOM 29497 OH2 TIP3 2654 1.053 -6.206 1.836 1.00 0.00 WT2 O ATOM 29498 H1 TIP3 2654 -16.590 -8.700 12.248 1.00 0.00 WT2 H ATOM 29499 H2 TIP3 2654 6.164 6.436 16.093 1.00 0.00 WT2 H ATOM 29500 OH2 TIP3 2655 1.264 -2.551 0.949 1.00 0.00 WT2 O ATOM 29501 H1 TIP3 2655 -1.251 12.454 7.211 1.00 0.00 WT2 H ATOM 29502 H2 TIP3 2655 16.593 -3.215 1.055 1.00 0.00 WT2 H ATOM 29503 OH2 TIP3 2667 -7.536 -2.245 -0.517 1.00 0.00 WT2 O ATOM 29504 H1 TIP3 2667 18.858 20.834 -5.262 1.00 0.00 WT2 H ATOM 29505 H2 TIP3 2667 -3.235 -2.317 19.061 1.00 0.00 WT2 H ATOM 29506 OH2 TIP3 2668 -1.066 5.257 -2.962 1.00 0.00 WT2 O ATOM 29507 H1 TIP3 2668 15.241 7.572 -25.657 1.00 0.00 WT2 H ATOM 29508 H2 TIP3 2668 -7.378 13.305 5.150 1.00 0.00 WT2 H ATOM 29509 OH2 TIP3 2669 -8.405 0.996 3.534 1.00 0.00 WT2 O ATOM 29510 H1 TIP3 2669 -2.670 11.779 7.170 1.00 0.00 WT2 H ATOM 29511 H2 TIP3 2669 -9.499 -0.927 -8.892 1.00 0.00 WT2 H ATOM 29512 OH2 TIP3 2670 1.262 -2.539 1.241 1.00 0.00 WT2 O ATOM 29513 H1 TIP3 2670 13.391 18.970 -3.897 1.00 0.00 WT2 H ATOM 29514 H2 TIP3 2670 13.521 7.730 35.119 1.00 0.00 WT2 H ATOM 29515 OH2 TIP3 2672 5.019 3.240 -1.275 1.00 0.00 WT2 O ATOM 29516 H1 TIP3 2672 -0.593 -19.334 -5.093 1.00 0.00 WT2 H ATOM 29517 H2 TIP3 2672 -7.610 4.121 -1.379 1.00 0.00 WT2 H ATOM 29518 OH2 TIP3 2673 3.442 3.735 9.779 1.00 0.00 WT2 O ATOM 29519 H1 TIP3 2673 10.381 -0.337 16.572 1.00 0.00 WT2 H ATOM 29520 H2 TIP3 2673 4.463 5.787 7.079 1.00 0.00 WT2 H ATOM 29521 OH2 TIP3 2674 5.016 0.753 3.397 1.00 0.00 WT2 O ATOM 29522 H1 TIP3 2674 20.279 -6.091 -5.466 1.00 0.00 WT2 H ATOM 29523 H2 TIP3 2674 -10.880 -11.588 7.707 1.00 0.00 WT2 H ATOM 29524 OH2 TIP3 2676 3.762 8.059 -3.103 1.00 0.00 WT2 O ATOM 29525 H1 TIP3 2676 -1.287 9.145 -5.958 1.00 0.00 WT2 H ATOM 29526 H2 TIP3 2676 17.573 9.435 -3.753 1.00 0.00 WT2 H ATOM 29527 OH2 TIP3 2689 4.257 -5.841 1.508 1.00 0.00 WT2 O ATOM 29528 H1 TIP3 2689 22.425 9.372 -33.033 1.00 0.00 WT2 H ATOM 29529 H2 TIP3 2689 -5.257 1.980 10.529 1.00 0.00 WT2 H ATOM 29530 OH2 TIP3 2690 -2.783 -1.053 1.521 1.00 0.00 WT2 O ATOM 29531 H1 TIP3 2690 -1.965 -9.992 -7.093 1.00 0.00 WT2 H ATOM 29532 H2 TIP3 2690 -27.294 -4.307 8.071 1.00 0.00 WT2 H ATOM 29533 OH2 TIP3 2691 -3.137 -0.152 -7.215 1.00 0.00 WT2 O ATOM 29534 H1 TIP3 2691 1.080 0.677 -2.939 1.00 0.00 WT2 H ATOM 29535 H2 TIP3 2691 6.784 -1.088 -14.972 1.00 0.00 WT2 H ATOM 29536 OH2 TIP3 2692 -0.913 -0.520 3.382 1.00 0.00 WT2 O ATOM 29537 H1 TIP3 2692 -2.835 -3.859 4.277 1.00 0.00 WT2 H ATOM 29538 H2 TIP3 2692 -6.323 -21.633 6.626 1.00 0.00 WT2 H ATOM 29539 OH2 TIP3 2694 -5.232 -3.352 1.531 1.00 0.00 WT2 O ATOM 29540 H1 TIP3 2694 11.121 9.243 -11.842 1.00 0.00 WT2 H ATOM 29541 H2 TIP3 2694 -7.505 5.681 -5.827 1.00 0.00 WT2 H ATOM 29542 OH2 TIP3 2695 -6.639 3.314 -3.612 1.00 0.00 WT2 O ATOM 29543 H1 TIP3 2695 -1.867 0.614 -31.623 1.00 0.00 WT2 H ATOM 29544 H2 TIP3 2695 -14.523 -7.365 -3.466 1.00 0.00 WT2 H ATOM 29545 OH2 TIP3 2697 3.882 3.689 -5.079 1.00 0.00 WT2 O ATOM 29546 H1 TIP3 2697 7.978 1.515 -2.333 1.00 0.00 WT2 H ATOM 29547 H2 TIP3 2697 1.849 -7.899 -16.554 1.00 0.00 WT2 H ATOM 29548 OH2 TIP3 2701 4.504 -3.426 4.049 1.00 0.00 WT2 O ATOM 29549 H1 TIP3 2701 5.313 -1.223 -13.047 1.00 0.00 WT2 H ATOM 29550 H2 TIP3 2701 5.379 -3.744 4.909 1.00 0.00 WT2 H ATOM 29551 OH2 TIP3 2709 -2.932 5.737 2.008 1.00 0.00 WT2 O ATOM 29552 H1 TIP3 2709 8.056 -11.259 20.641 1.00 0.00 WT2 H ATOM 29553 H2 TIP3 2709 -0.757 -12.511 -4.032 1.00 0.00 WT2 H ATOM 29554 OH2 TIP3 2710 -1.512 3.957 3.232 1.00 0.00 WT2 O ATOM 29555 H1 TIP3 2710 7.179 -4.869 0.048 1.00 0.00 WT2 H ATOM 29556 H2 TIP3 2710 -13.277 5.299 -2.846 1.00 0.00 WT2 H ATOM 29557 OH2 TIP3 2712 -2.463 -2.615 1.215 1.00 0.00 WT2 O ATOM 29558 H1 TIP3 2712 -4.711 -1.814 -0.187 1.00 0.00 WT2 H ATOM 29559 H2 TIP3 2712 6.504 -7.188 5.139 1.00 0.00 WT2 H ATOM 29560 OH2 TIP3 2713 -4.055 -3.660 1.039 1.00 0.00 WT2 O ATOM 29561 H1 TIP3 2713 4.819 -1.331 -0.379 1.00 0.00 WT2 H ATOM 29562 H2 TIP3 2713 21.587 -7.725 -5.808 1.00 0.00 WT2 H ATOM 29563 OH2 TIP3 2714 -0.075 -2.525 -5.514 1.00 0.00 WT2 O ATOM 29564 H1 TIP3 2714 -3.842 -13.237 -7.307 1.00 0.00 WT2 H ATOM 29565 H2 TIP3 2714 -4.265 -9.038 12.075 1.00 0.00 WT2 H ATOM 29566 OH2 TIP3 2715 -3.165 2.768 3.582 1.00 0.00 WT2 O ATOM 29567 H1 TIP3 2715 7.939 0.440 10.813 1.00 0.00 WT2 H ATOM 29568 H2 TIP3 2715 10.153 -12.106 -3.722 1.00 0.00 WT2 H ATOM 29569 OH2 TIP3 2717 3.326 8.058 -4.255 1.00 0.00 WT2 O ATOM 29570 H1 TIP3 2717 23.597 -8.434 12.862 1.00 0.00 WT2 H ATOM 29571 H2 TIP3 2717 -2.383 7.801 -12.429 1.00 0.00 WT2 H ATOM 29572 OH2 TIP3 2732 -0.378 -4.657 0.867 1.00 0.00 WT2 O ATOM 29573 H1 TIP3 2732 4.603 15.005 1.441 1.00 0.00 WT2 H ATOM 29574 H2 TIP3 2732 17.401 -14.207 -5.093 1.00 0.00 WT2 H ATOM 29575 OH2 TIP3 2734 6.372 3.672 3.975 1.00 0.00 WT2 O ATOM 29576 H1 TIP3 2734 1.031 -4.975 13.900 1.00 0.00 WT2 H ATOM 29577 H2 TIP3 2734 14.412 13.668 10.011 1.00 0.00 WT2 H ATOM 29578 OH2 TIP3 2735 3.171 -5.388 0.534 1.00 0.00 WT2 O ATOM 29579 H1 TIP3 2735 -3.064 5.534 2.109 1.00 0.00 WT2 H ATOM 29580 H2 TIP3 2735 -13.185 19.863 -2.259 1.00 0.00 WT2 H ATOM 29581 OH2 TIP3 2736 7.060 0.053 -1.208 1.00 0.00 WT2 O ATOM 29582 H1 TIP3 2736 -5.745 7.737 9.603 1.00 0.00 WT2 H ATOM 29583 H2 TIP3 2736 -0.323 1.533 -9.244 1.00 0.00 WT2 H ATOM 29584 OH2 TIP3 2753 -0.678 1.898 1.193 1.00 0.00 WT2 O ATOM 29585 H1 TIP3 2753 -8.113 -2.988 -3.159 1.00 0.00 WT2 H ATOM 29586 H2 TIP3 2753 -5.162 9.068 5.001 1.00 0.00 WT2 H ATOM 29587 OH2 TIP3 2754 -2.097 -4.705 -1.781 1.00 0.00 WT2 O ATOM 29588 H1 TIP3 2754 -7.448 -0.295 -0.946 1.00 0.00 WT2 H ATOM 29589 H2 TIP3 2754 4.104 -10.053 -1.990 1.00 0.00 WT2 H ATOM 29590 OH2 TIP3 2755 -1.570 -1.498 -0.180 1.00 0.00 WT2 O ATOM 29591 H1 TIP3 2755 -24.459 1.761 1.535 1.00 0.00 WT2 H ATOM 29592 H2 TIP3 2755 -15.630 7.164 4.810 1.00 0.00 WT2 H ATOM 29593 OH2 TIP3 2757 -5.490 -6.107 3.415 1.00 0.00 WT2 O ATOM 29594 H1 TIP3 2757 -0.299 1.326 8.288 1.00 0.00 WT2 H ATOM 29595 H2 TIP3 2757 -7.261 -17.653 -11.123 1.00 0.00 WT2 H ATOM 29596 OH2 TIP3 2758 4.269 -0.279 -0.493 1.00 0.00 WT2 O ATOM 29597 H1 TIP3 2758 10.821 0.598 20.931 1.00 0.00 WT2 H ATOM 29598 H2 TIP3 2758 23.218 -3.054 -12.129 1.00 0.00 WT2 H ATOM 29599 OH2 TIP3 2771 0.617 -2.807 1.854 1.00 0.00 WT2 O ATOM 29600 H1 TIP3 2771 -26.806 17.606 -14.399 1.00 0.00 WT2 H ATOM 29601 H2 TIP3 2771 7.989 -27.817 -6.162 1.00 0.00 WT2 H ATOM 29602 OH2 TIP3 2773 0.015 5.821 -6.292 1.00 0.00 WT2 O ATOM 29603 H1 TIP3 2773 -18.598 3.329 9.599 1.00 0.00 WT2 H ATOM 29604 H2 TIP3 2773 2.482 -22.135 -6.650 1.00 0.00 WT2 H ATOM 29605 OH2 TIP3 2774 3.410 -7.030 6.424 1.00 0.00 WT2 O ATOM 29606 H1 TIP3 2774 8.041 -13.367 1.762 1.00 0.00 WT2 H ATOM 29607 H2 TIP3 2774 3.003 -8.911 0.898 1.00 0.00 WT2 H ATOM 29608 OH2 TIP3 2775 3.359 -3.936 2.512 1.00 0.00 WT2 O ATOM 29609 H1 TIP3 2775 28.376 -15.858 21.326 1.00 0.00 WT2 H ATOM 29610 H2 TIP3 2775 0.358 -2.627 3.476 1.00 0.00 WT2 H ATOM 29611 OH2 TIP3 2776 -2.400 2.376 4.041 1.00 0.00 WT2 O ATOM 29612 H1 TIP3 2776 25.606 -0.281 12.736 1.00 0.00 WT2 H ATOM 29613 H2 TIP3 2776 5.862 2.388 20.203 1.00 0.00 WT2 H ATOM 29614 OH2 TIP3 2777 -5.407 -0.709 -3.060 1.00 0.00 WT2 O ATOM 29615 H1 TIP3 2777 -2.402 -7.473 6.486 1.00 0.00 WT2 H ATOM 29616 H2 TIP3 2777 2.437 -5.640 -12.716 1.00 0.00 WT2 H ATOM 29617 OH2 TIP3 2778 5.923 5.186 -0.763 1.00 0.00 WT2 O ATOM 29618 H1 TIP3 2778 -4.999 -3.336 -14.269 1.00 0.00 WT2 H ATOM 29619 H2 TIP3 2778 3.880 14.649 10.463 1.00 0.00 WT2 H ATOM 29620 OH2 TIP3 2781 -0.897 -1.101 -1.587 1.00 0.00 WT2 O ATOM 29621 H1 TIP3 2781 4.528 -3.411 1.564 1.00 0.00 WT2 H ATOM 29622 H2 TIP3 2781 12.777 -9.704 -5.250 1.00 0.00 WT2 H ATOM 29623 OH2 TIP3 2793 -0.111 3.083 0.858 1.00 0.00 WT2 O ATOM 29624 H1 TIP3 2793 -13.654 2.620 -11.940 1.00 0.00 WT2 H ATOM 29625 H2 TIP3 2793 10.279 -0.255 11.856 1.00 0.00 WT2 H ATOM 29626 OH2 TIP3 2794 -3.062 -1.708 5.386 1.00 0.00 WT2 O ATOM 29627 H1 TIP3 2794 11.395 -8.604 7.270 1.00 0.00 WT2 H ATOM 29628 H2 TIP3 2794 -31.986 17.467 14.227 1.00 0.00 WT2 H ATOM 29629 OH2 TIP3 2795 3.483 5.864 8.148 1.00 0.00 WT2 O ATOM 29630 H1 TIP3 2795 6.536 1.822 12.141 1.00 0.00 WT2 H ATOM 29631 H2 TIP3 2795 10.808 9.970 8.710 1.00 0.00 WT2 H ATOM 29632 OH2 TIP3 2796 -2.198 0.271 -1.360 1.00 0.00 WT2 O ATOM 29633 H1 TIP3 2796 -15.169 -17.525 9.106 1.00 0.00 WT2 H ATOM 29634 H2 TIP3 2796 -12.281 5.012 -7.539 1.00 0.00 WT2 H ATOM 29635 OH2 TIP3 2797 6.526 -0.419 1.928 1.00 0.00 WT2 O ATOM 29636 H1 TIP3 2797 1.779 8.837 -1.209 1.00 0.00 WT2 H ATOM 29637 H2 TIP3 2797 5.441 2.633 0.940 1.00 0.00 WT2 H ATOM 29638 OH2 TIP3 2798 2.380 -2.148 2.708 1.00 0.00 WT2 O ATOM 29639 H1 TIP3 2798 0.773 14.178 -7.371 1.00 0.00 WT2 H ATOM 29640 H2 TIP3 2798 0.417 3.655 16.562 1.00 0.00 WT2 H ATOM 29641 OH2 TIP3 2802 1.807 -0.089 -2.568 1.00 0.00 WT2 O ATOM 29642 H1 TIP3 2802 8.641 6.848 7.469 1.00 0.00 WT2 H ATOM 29643 H2 TIP3 2802 -6.044 2.878 -0.005 1.00 0.00 WT2 H ATOM 29644 OH2 TIP3 2814 -8.213 -2.316 1.216 1.00 0.00 WT2 O ATOM 29645 H1 TIP3 2814 -6.934 -1.116 -4.679 1.00 0.00 WT2 H ATOM 29646 H2 TIP3 2814 7.738 4.889 20.460 1.00 0.00 WT2 H ATOM 29647 OH2 TIP3 2815 -4.775 0.363 2.123 1.00 0.00 WT2 O ATOM 29648 H1 TIP3 2815 -1.663 11.367 15.591 1.00 0.00 WT2 H ATOM 29649 H2 TIP3 2815 -1.854 31.531 -7.159 1.00 0.00 WT2 H ATOM 29650 OH2 TIP3 2817 -4.363 1.838 -3.203 1.00 0.00 WT2 O ATOM 29651 H1 TIP3 2817 -15.096 -3.700 5.722 1.00 0.00 WT2 H ATOM 29652 H2 TIP3 2817 -8.004 -4.840 6.604 1.00 0.00 WT2 H ATOM 29653 OH2 TIP3 2818 8.489 2.161 -4.571 1.00 0.00 WT2 O ATOM 29654 H1 TIP3 2818 -0.391 -14.110 25.711 1.00 0.00 WT2 H ATOM 29655 H2 TIP3 2818 10.610 -21.276 11.831 1.00 0.00 WT2 H ATOM 29656 OH2 TIP3 2819 3.742 -5.564 2.837 1.00 0.00 WT2 O ATOM 29657 H1 TIP3 2819 8.156 -4.178 6.171 1.00 0.00 WT2 H ATOM 29658 H2 TIP3 2819 26.244 4.216 22.090 1.00 0.00 WT2 H ATOM 29659 OH2 TIP3 2820 -5.394 -4.363 -2.968 1.00 0.00 WT2 O ATOM 29660 H1 TIP3 2820 -4.049 10.862 7.165 1.00 0.00 WT2 H ATOM 29661 H2 TIP3 2820 -7.804 -9.792 -5.379 1.00 0.00 WT2 H ATOM 29662 OH2 TIP3 2821 -4.230 6.065 4.718 1.00 0.00 WT2 O ATOM 29663 H1 TIP3 2821 -15.732 2.192 29.196 1.00 0.00 WT2 H ATOM 29664 H2 TIP3 2821 -6.132 -15.352 -9.260 1.00 0.00 WT2 H ATOM 29665 OH2 TIP3 2822 1.181 -2.211 5.956 1.00 0.00 WT2 O ATOM 29666 H1 TIP3 2822 13.991 -15.218 -9.946 1.00 0.00 WT2 H ATOM 29667 H2 TIP3 2822 -18.418 2.847 6.898 1.00 0.00 WT2 H ATOM 29668 OH2 TIP3 2823 5.106 4.905 2.758 1.00 0.00 WT2 O ATOM 29669 H1 TIP3 2823 7.938 -3.493 -15.153 1.00 0.00 WT2 H ATOM 29670 H2 TIP3 2823 4.487 -4.358 13.098 1.00 0.00 WT2 H ATOM 29671 OH2 TIP3 2832 3.543 6.627 -2.437 1.00 0.00 WT2 O ATOM 29672 H1 TIP3 2832 -10.522 4.463 -4.327 1.00 0.00 WT2 H ATOM 29673 H2 TIP3 2832 -5.139 -16.163 -4.729 1.00 0.00 WT2 H ATOM 29674 OH2 TIP3 2838 -2.530 4.564 -7.901 1.00 0.00 WT2 O ATOM 29675 H1 TIP3 2838 -7.904 1.593 -6.087 1.00 0.00 WT2 H ATOM 29676 H2 TIP3 2838 -8.765 10.792 -6.087 1.00 0.00 WT2 H ATOM 29677 OH2 TIP3 2839 3.841 1.016 -4.673 1.00 0.00 WT2 O ATOM 29678 H1 TIP3 2839 -2.460 -8.568 -15.924 1.00 0.00 WT2 H ATOM 29679 H2 TIP3 2839 11.807 9.349 10.014 1.00 0.00 WT2 H ATOM 29680 OH2 TIP3 2840 1.933 3.464 -0.280 1.00 0.00 WT2 O ATOM 29681 H1 TIP3 2840 3.824 1.573 17.546 1.00 0.00 WT2 H ATOM 29682 H2 TIP3 2840 -0.682 4.885 -15.698 1.00 0.00 WT2 H ATOM 29683 OH2 TIP3 2841 1.582 -5.006 -1.799 1.00 0.00 WT2 O ATOM 29684 H1 TIP3 2841 -1.487 -4.566 -2.082 1.00 0.00 WT2 H ATOM 29685 H2 TIP3 2841 9.018 4.659 4.144 1.00 0.00 WT2 H ATOM 29686 OH2 TIP3 2842 1.384 -2.738 5.936 1.00 0.00 WT2 O ATOM 29687 H1 TIP3 2842 2.728 -32.209 -1.244 1.00 0.00 WT2 H ATOM 29688 H2 TIP3 2842 1.737 -14.056 1.945 1.00 0.00 WT2 H ATOM 29689 OH2 TIP3 2843 -3.014 -3.439 -4.759 1.00 0.00 WT2 O ATOM 29690 H1 TIP3 2843 -4.826 -0.090 -17.713 1.00 0.00 WT2 H ATOM 29691 H2 TIP3 2843 5.138 -14.495 -3.123 1.00 0.00 WT2 H ATOM 29692 OH2 TIP3 2857 -5.509 -6.002 0.837 1.00 0.00 WT2 O ATOM 29693 H1 TIP3 2857 12.350 8.450 11.778 1.00 0.00 WT2 H ATOM 29694 H2 TIP3 2857 -4.775 -3.068 0.653 1.00 0.00 WT2 H ATOM 29695 OH2 TIP3 2859 -4.049 -0.199 1.763 1.00 0.00 WT2 O ATOM 29696 H1 TIP3 2859 -12.615 -6.391 11.067 1.00 0.00 WT2 H ATOM 29697 H2 TIP3 2859 12.700 3.453 -16.474 1.00 0.00 WT2 H ATOM 29698 OH2 TIP3 2862 4.987 5.724 -3.898 1.00 0.00 WT2 O ATOM 29699 H1 TIP3 2862 2.470 5.208 -0.236 1.00 0.00 WT2 H ATOM 29700 H2 TIP3 2862 3.865 9.350 -6.350 1.00 0.00 WT2 H ATOM 29701 OH2 TIP3 2863 1.953 -8.129 7.108 1.00 0.00 WT2 O ATOM 29702 H1 TIP3 2863 12.608 -17.590 -20.728 1.00 0.00 WT2 H ATOM 29703 H2 TIP3 2863 1.909 -8.741 5.261 1.00 0.00 WT2 H ATOM 29704 OH2 TIP3 2877 3.058 1.094 -8.517 1.00 0.00 WT2 O ATOM 29705 H1 TIP3 2877 1.459 15.031 -28.717 1.00 0.00 WT2 H ATOM 29706 H2 TIP3 2877 -24.086 -6.496 7.216 1.00 0.00 WT2 H ATOM 29707 OH2 TIP3 2878 0.849 2.678 -3.962 1.00 0.00 WT2 O ATOM 29708 H1 TIP3 2878 -0.468 -2.911 -0.816 1.00 0.00 WT2 H ATOM 29709 H2 TIP3 2878 3.206 -11.127 -5.071 1.00 0.00 WT2 H ATOM 29710 OH2 TIP3 2880 -2.453 -1.274 1.589 1.00 0.00 WT2 O ATOM 29711 H1 TIP3 2880 25.803 -6.531 1.072 1.00 0.00 WT2 H ATOM 29712 H2 TIP3 2880 -8.513 2.308 29.574 1.00 0.00 WT2 H ATOM 29713 OH2 TIP3 2882 -3.876 7.647 -3.253 1.00 0.00 WT2 O ATOM 29714 H1 TIP3 2882 -5.834 9.020 7.901 1.00 0.00 WT2 H ATOM 29715 H2 TIP3 2882 -34.769 20.005 8.611 1.00 0.00 WT2 H ATOM 29716 OH2 TIP3 2883 5.014 3.766 2.333 1.00 0.00 WT2 O ATOM 29717 H1 TIP3 2883 12.878 11.882 -16.287 1.00 0.00 WT2 H ATOM 29718 H2 TIP3 2883 18.290 -14.474 15.758 1.00 0.00 WT2 H ATOM 29719 OH2 TIP3 2884 -1.147 -1.531 0.240 1.00 0.00 WT2 O ATOM 29720 H1 TIP3 2884 -13.128 -4.433 -5.681 1.00 0.00 WT2 H ATOM 29721 H2 TIP3 2884 12.855 1.726 6.905 1.00 0.00 WT2 H ATOM 29722 OH2 TIP3 2899 -4.757 -4.045 0.839 1.00 0.00 WT2 O ATOM 29723 H1 TIP3 2899 1.859 2.108 6.493 1.00 0.00 WT2 H ATOM 29724 H2 TIP3 2899 5.901 -14.850 -6.122 1.00 0.00 WT2 H ATOM 29725 OH2 TIP3 2900 4.523 2.006 0.818 1.00 0.00 WT2 O ATOM 29726 H1 TIP3 2900 3.944 -1.429 3.246 1.00 0.00 WT2 H ATOM 29727 H2 TIP3 2900 13.510 -1.247 -6.472 1.00 0.00 WT2 H ATOM 29728 OH2 TIP3 2901 3.021 0.042 8.299 1.00 0.00 WT2 O ATOM 29729 H1 TIP3 2901 -18.961 3.178 6.094 1.00 0.00 WT2 H ATOM 29730 H2 TIP3 2901 -11.425 -12.001 8.397 1.00 0.00 WT2 H ATOM 29731 OH2 TIP3 2902 -6.344 -3.720 1.703 1.00 0.00 WT2 O ATOM 29732 H1 TIP3 2902 16.365 -8.475 -8.511 1.00 0.00 WT2 H ATOM 29733 H2 TIP3 2902 -10.457 22.146 1.444 1.00 0.00 WT2 H ATOM 29734 OH2 TIP3 2903 0.365 -4.402 -2.338 1.00 0.00 WT2 O ATOM 29735 H1 TIP3 2903 1.906 -10.007 -2.565 1.00 0.00 WT2 H ATOM 29736 H2 TIP3 2903 -27.654 9.340 -6.597 1.00 0.00 WT2 H ATOM 29737 OH2 TIP3 2904 1.189 -1.346 -3.771 1.00 0.00 WT2 O ATOM 29738 H1 TIP3 2904 9.819 -2.931 -11.867 1.00 0.00 WT2 H ATOM 29739 H2 TIP3 2904 -7.396 1.131 0.649 1.00 0.00 WT2 H ATOM 29740 OH2 TIP3 2905 0.767 3.489 -1.299 1.00 0.00 WT2 O ATOM 29741 H1 TIP3 2905 4.868 4.510 1.625 1.00 0.00 WT2 H ATOM 29742 H2 TIP3 2905 -12.479 8.996 15.794 1.00 0.00 WT2 H ATOM 29743 OH2 TIP3 2908 -0.304 0.722 2.347 1.00 0.00 WT2 O ATOM 29744 H1 TIP3 2908 -10.078 16.386 -6.729 1.00 0.00 WT2 H ATOM 29745 H2 TIP3 2908 31.774 10.083 -3.981 1.00 0.00 WT2 H ATOM 29746 OH2 TIP3 2918 4.031 -2.792 3.487 1.00 0.00 WT2 O ATOM 29747 H1 TIP3 2918 0.329 3.486 14.078 1.00 0.00 WT2 H ATOM 29748 H2 TIP3 2918 -2.081 3.261 -1.681 1.00 0.00 WT2 H ATOM 29749 OH2 TIP3 2919 -7.820 1.374 2.973 1.00 0.00 WT2 O ATOM 29750 H1 TIP3 2919 2.039 1.323 11.821 1.00 0.00 WT2 H ATOM 29751 H2 TIP3 2919 7.058 5.324 -8.593 1.00 0.00 WT2 H ATOM 29752 OH2 TIP3 2920 2.011 2.181 2.676 1.00 0.00 WT2 O ATOM 29753 H1 TIP3 2920 -12.972 -23.962 14.453 1.00 0.00 WT2 H ATOM 29754 H2 TIP3 2920 -10.632 17.831 -17.603 1.00 0.00 WT2 H ATOM 29755 OH2 TIP3 2922 0.874 -0.428 2.968 1.00 0.00 WT2 O ATOM 29756 H1 TIP3 2922 8.439 -4.483 3.281 1.00 0.00 WT2 H ATOM 29757 H2 TIP3 2922 -3.766 -2.325 3.312 1.00 0.00 WT2 H ATOM 29758 OH2 TIP3 2923 -1.953 2.777 -7.449 1.00 0.00 WT2 O ATOM 29759 H1 TIP3 2923 8.712 -2.870 -7.424 1.00 0.00 WT2 H ATOM 29760 H2 TIP3 2923 2.805 0.079 -7.225 1.00 0.00 WT2 H ATOM 29761 OH2 TIP3 2925 -1.262 -1.274 4.132 1.00 0.00 WT2 O ATOM 29762 H1 TIP3 2925 1.661 11.575 0.922 1.00 0.00 WT2 H ATOM 29763 H2 TIP3 2925 -7.965 23.729 1.319 1.00 0.00 WT2 H ATOM 29764 OH2 TIP3 2927 -0.237 -0.024 1.541 1.00 0.00 WT2 O ATOM 29765 H1 TIP3 2927 -7.058 11.776 1.672 1.00 0.00 WT2 H ATOM 29766 H2 TIP3 2927 1.357 -3.881 -5.805 1.00 0.00 WT2 H ATOM 29767 OH2 TIP3 2938 7.327 -7.231 -3.195 1.00 0.00 WT2 O ATOM 29768 H1 TIP3 2938 5.881 -1.044 6.070 1.00 0.00 WT2 H ATOM 29769 H2 TIP3 2938 7.997 -3.593 -6.773 1.00 0.00 WT2 H ATOM 29770 OH2 TIP3 2941 8.915 -2.940 -1.218 1.00 0.00 WT2 O ATOM 29771 H1 TIP3 2941 3.148 8.029 9.870 1.00 0.00 WT2 H ATOM 29772 H2 TIP3 2941 -8.492 5.382 1.685 1.00 0.00 WT2 H ATOM 29773 OH2 TIP3 2942 -5.438 0.310 1.771 1.00 0.00 WT2 O ATOM 29774 H1 TIP3 2942 28.227 -19.052 -19.139 1.00 0.00 WT2 H ATOM 29775 H2 TIP3 2942 -28.174 -0.124 -38.792 1.00 0.00 WT2 H ATOM 29776 OH2 TIP3 2943 -2.823 -5.068 4.578 1.00 0.00 WT2 O ATOM 29777 H1 TIP3 2943 15.613 -4.358 -2.242 1.00 0.00 WT2 H ATOM 29778 H2 TIP3 2943 -8.805 -19.688 2.119 1.00 0.00 WT2 H ATOM 29779 OH2 TIP3 2944 -3.960 1.997 -2.462 1.00 0.00 WT2 O ATOM 29780 H1 TIP3 2944 -4.701 6.512 -12.270 1.00 0.00 WT2 H ATOM 29781 H2 TIP3 2944 18.980 -0.360 12.312 1.00 0.00 WT2 H ATOM 29782 OH2 TIP3 2945 -7.616 -3.546 3.631 1.00 0.00 WT2 O ATOM 29783 H1 TIP3 2945 -10.399 -3.465 -13.233 1.00 0.00 WT2 H ATOM 29784 H2 TIP3 2945 1.703 -22.059 10.416 1.00 0.00 WT2 H ATOM 29785 OH2 TIP3 2946 1.366 -3.309 3.417 1.00 0.00 WT2 O ATOM 29786 H1 TIP3 2946 3.713 -2.213 10.305 1.00 0.00 WT2 H ATOM 29787 H2 TIP3 2946 -9.548 4.424 15.961 1.00 0.00 WT2 H ATOM 29788 OH2 TIP3 2960 2.665 -0.760 -3.544 1.00 0.00 WT2 O ATOM 29789 H1 TIP3 2960 -6.645 4.859 10.377 1.00 0.00 WT2 H ATOM 29790 H2 TIP3 2960 -3.279 8.193 -0.551 1.00 0.00 WT2 H ATOM 29791 OH2 TIP3 2961 0.057 -2.798 4.491 1.00 0.00 WT2 O ATOM 29792 H1 TIP3 2961 -17.929 -30.032 -0.949 1.00 0.00 WT2 H ATOM 29793 H2 TIP3 2961 -7.151 8.908 7.298 1.00 0.00 WT2 H ATOM 29794 OH2 TIP3 2963 -9.680 -3.564 1.498 1.00 0.00 WT2 O ATOM 29795 H1 TIP3 2963 -10.858 2.494 -2.391 1.00 0.00 WT2 H ATOM 29796 H2 TIP3 2963 -7.675 -0.352 2.333 1.00 0.00 WT2 H ATOM 29797 OH2 TIP3 2964 2.747 -0.403 -6.595 1.00 0.00 WT2 O ATOM 29798 H1 TIP3 2964 18.510 18.551 -7.950 1.00 0.00 WT2 H ATOM 29799 H2 TIP3 2964 1.973 6.142 20.803 1.00 0.00 WT2 H ATOM 29800 OH2 TIP3 2966 0.377 6.710 4.165 1.00 0.00 WT2 O ATOM 29801 H1 TIP3 2966 5.831 -0.713 3.727 1.00 0.00 WT2 H ATOM 29802 H2 TIP3 2966 1.249 -7.480 -11.830 1.00 0.00 WT2 H ATOM 29803 OH2 TIP3 2967 -2.051 4.330 -0.085 1.00 0.00 WT2 O ATOM 29804 H1 TIP3 2967 -4.039 22.138 20.212 1.00 0.00 WT2 H ATOM 29805 H2 TIP3 2967 -4.600 7.942 15.267 1.00 0.00 WT2 H ATOM 29806 OH2 TIP3 2969 1.886 -3.900 -4.022 1.00 0.00 WT2 O ATOM 29807 H1 TIP3 2969 3.904 -11.310 -20.350 1.00 0.00 WT2 H ATOM 29808 H2 TIP3 2969 -12.745 -7.784 2.561 1.00 0.00 WT2 H ATOM 29809 OH2 TIP3 2972 1.877 2.375 -3.065 1.00 0.00 WT2 O ATOM 29810 H1 TIP3 2972 -9.915 8.667 5.740 1.00 0.00 WT2 H ATOM 29811 H2 TIP3 2972 11.939 -2.750 -11.964 1.00 0.00 WT2 H ATOM 29812 OH2 TIP3 2979 0.286 -3.474 3.695 1.00 0.00 WT2 O ATOM 29813 H1 TIP3 2979 -0.294 16.474 9.946 1.00 0.00 WT2 H ATOM 29814 H2 TIP3 2979 1.694 -13.674 0.015 1.00 0.00 WT2 H ATOM 29815 OH2 TIP3 2983 6.221 -6.949 3.966 1.00 0.00 WT2 O ATOM 29816 H1 TIP3 2983 1.282 -7.146 3.260 1.00 0.00 WT2 H ATOM 29817 H2 TIP3 2983 -25.096 -4.587 5.622 1.00 0.00 WT2 H ATOM 29818 OH2 TIP3 2984 0.981 2.297 2.922 1.00 0.00 WT2 O ATOM 29819 H1 TIP3 2984 -18.244 8.292 -3.875 1.00 0.00 WT2 H ATOM 29820 H2 TIP3 2984 8.652 -8.614 -13.145 1.00 0.00 WT2 H ATOM 29821 OH2 TIP3 2986 -1.390 -4.584 0.884 1.00 0.00 WT2 O ATOM 29822 H1 TIP3 2986 1.084 0.127 -15.252 1.00 0.00 WT2 H ATOM 29823 H2 TIP3 2986 1.562 12.180 0.956 1.00 0.00 WT2 H ATOM 29824 OH2 TIP3 2989 1.554 2.965 -1.627 1.00 0.00 WT2 O ATOM 29825 H1 TIP3 2989 12.920 -15.002 -18.159 1.00 0.00 WT2 H ATOM 29826 H2 TIP3 2989 -7.260 27.429 -0.200 1.00 0.00 WT2 H ATOM 29827 OH2 TIP3 2990 2.912 4.682 -6.203 1.00 0.00 WT2 O ATOM 29828 H1 TIP3 2990 14.492 17.851 15.599 1.00 0.00 WT2 H ATOM 29829 H2 TIP3 2990 8.973 20.725 22.769 1.00 0.00 WT2 H ATOM 29830 OH2 TIP3 2992 -2.005 1.551 0.331 1.00 0.00 WT2 O ATOM 29831 H1 TIP3 2992 -1.308 6.385 11.263 1.00 0.00 WT2 H ATOM 29832 H2 TIP3 2992 19.561 -1.479 1.419 1.00 0.00 WT2 H ATOM 29833 OH2 TIP3 3002 -6.576 -4.196 2.212 1.00 0.00 WT2 O ATOM 29834 H1 TIP3 3002 17.440 5.185 -8.360 1.00 0.00 WT2 H ATOM 29835 H2 TIP3 3002 -11.956 -2.416 6.511 1.00 0.00 WT2 H ATOM 29836 OH2 TIP3 3006 0.925 4.711 2.473 1.00 0.00 WT2 O ATOM 29837 H1 TIP3 3006 0.953 5.761 10.889 1.00 0.00 WT2 H ATOM 29838 H2 TIP3 3006 19.783 -14.208 9.286 1.00 0.00 WT2 H ATOM 29839 OH2 TIP3 3009 -7.586 3.657 2.053 1.00 0.00 WT2 O ATOM 29840 H1 TIP3 3009 17.845 -4.609 11.544 1.00 0.00 WT2 H ATOM 29841 H2 TIP3 3009 -9.485 -21.340 -1.292 1.00 0.00 WT2 H ATOM 29842 OH2 TIP3 3010 0.780 2.932 -5.504 1.00 0.00 WT2 O ATOM 29843 H1 TIP3 3010 -5.201 5.310 -3.761 1.00 0.00 WT2 H ATOM 29844 H2 TIP3 3010 -2.151 -14.316 -16.612 1.00 0.00 WT2 H ATOM 29845 OH2 TIP3 3011 0.453 3.096 -4.254 1.00 0.00 WT2 O ATOM 29846 H1 TIP3 3011 0.318 2.490 -4.757 1.00 0.00 WT2 H ATOM 29847 H2 TIP3 3011 -1.092 -3.068 -9.639 1.00 0.00 WT2 H ATOM 29848 OH2 TIP3 3012 -5.274 -2.624 -2.440 1.00 0.00 WT2 O ATOM 29849 H1 TIP3 3012 -3.028 10.248 -7.289 1.00 0.00 WT2 H ATOM 29850 H2 TIP3 3012 -20.757 -6.007 -2.994 1.00 0.00 WT2 H ATOM 29851 OH2 TIP3 3013 -3.859 -2.210 2.110 1.00 0.00 WT2 O ATOM 29852 H1 TIP3 3013 -4.149 0.729 -9.973 1.00 0.00 WT2 H ATOM 29853 H2 TIP3 3013 6.435 8.287 10.980 1.00 0.00 WT2 H ATOM 29854 OH2 TIP3 3018 -8.623 -6.843 1.391 1.00 0.00 WT2 O ATOM 29855 H1 TIP3 3018 -11.282 -5.609 -1.244 1.00 0.00 WT2 H ATOM 29856 H2 TIP3 3018 0.739 0.642 11.458 1.00 0.00 WT2 H ATOM 29857 OH2 TIP3 3027 12.530 6.422 0.346 1.00 0.00 WT2 O ATOM 29858 H1 TIP3 3027 -7.319 23.263 8.355 1.00 0.00 WT2 H ATOM 29859 H2 TIP3 3027 1.157 -18.079 -0.123 1.00 0.00 WT2 H ATOM 29860 OH2 TIP3 3028 0.413 4.279 -0.757 1.00 0.00 WT2 O ATOM 29861 H1 TIP3 3028 -3.358 10.754 -24.646 1.00 0.00 WT2 H ATOM 29862 H2 TIP3 3028 -16.961 18.664 1.568 1.00 0.00 WT2 H ATOM 29863 OH2 TIP3 3029 -0.458 0.256 -1.592 1.00 0.00 WT2 O ATOM 29864 H1 TIP3 3029 22.538 -32.888 14.468 1.00 0.00 WT2 H ATOM 29865 H2 TIP3 3029 -1.123 14.662 -2.629 1.00 0.00 WT2 H ATOM 29866 OH2 TIP3 3046 -4.914 0.424 2.418 1.00 0.00 WT2 O ATOM 29867 H1 TIP3 3046 -23.811 15.471 -5.593 1.00 0.00 WT2 H ATOM 29868 H2 TIP3 3046 -12.407 -11.344 -0.700 1.00 0.00 WT2 H ATOM 29869 OH2 TIP3 3048 2.214 3.007 -0.263 1.00 0.00 WT2 O ATOM 29870 H1 TIP3 3048 8.043 -3.859 -6.239 1.00 0.00 WT2 H ATOM 29871 H2 TIP3 3048 8.324 3.304 12.473 1.00 0.00 WT2 H ATOM 29872 OH2 TIP3 3049 0.988 1.288 -7.816 1.00 0.00 WT2 O ATOM 29873 H1 TIP3 3049 6.928 -8.405 19.924 1.00 0.00 WT2 H ATOM 29874 H2 TIP3 3049 -36.587 11.189 15.585 1.00 0.00 WT2 H ATOM 29875 OH2 TIP3 3050 -5.854 2.811 1.095 1.00 0.00 WT2 O ATOM 29876 H1 TIP3 3050 14.626 36.147 8.856 1.00 0.00 WT2 H ATOM 29877 H2 TIP3 3050 -3.314 17.416 -15.558 1.00 0.00 WT2 H ATOM 29878 OH2 TIP3 3051 -2.468 -1.152 0.829 1.00 0.00 WT2 O ATOM 29879 H1 TIP3 3051 -0.506 -12.754 -1.785 1.00 0.00 WT2 H ATOM 29880 H2 TIP3 3051 0.276 4.730 15.809 1.00 0.00 WT2 H ATOM 29881 OH2 TIP3 3052 -2.324 1.024 -3.841 1.00 0.00 WT2 O ATOM 29882 H1 TIP3 3052 2.115 -25.552 -19.964 1.00 0.00 WT2 H ATOM 29883 H2 TIP3 3052 -7.369 -4.588 -3.745 1.00 0.00 WT2 H ATOM 29884 OH2 TIP3 3067 -1.375 -4.393 3.113 1.00 0.00 WT2 O ATOM 29885 H1 TIP3 3067 1.821 1.509 19.126 1.00 0.00 WT2 H ATOM 29886 H2 TIP3 3067 -22.195 -3.469 6.058 1.00 0.00 WT2 H ATOM 29887 OH2 TIP3 3069 -2.934 -3.283 4.818 1.00 0.00 WT2 O ATOM 29888 H1 TIP3 3069 -8.271 19.496 -12.542 1.00 0.00 WT2 H ATOM 29889 H2 TIP3 3069 1.199 15.128 -24.929 1.00 0.00 WT2 H ATOM 29890 OH2 TIP3 3070 0.043 4.719 -3.695 1.00 0.00 WT2 O ATOM 29891 H1 TIP3 3070 -10.494 12.158 -10.415 1.00 0.00 WT2 H ATOM 29892 H2 TIP3 3070 16.350 6.043 26.810 1.00 0.00 WT2 H ATOM 29893 OH2 TIP3 3072 1.171 1.690 -5.805 1.00 0.00 WT2 O ATOM 29894 H1 TIP3 3072 -14.031 12.847 2.739 1.00 0.00 WT2 H ATOM 29895 H2 TIP3 3072 -2.166 -1.165 -5.443 1.00 0.00 WT2 H ATOM 29896 OH2 TIP3 3073 -4.684 -0.694 2.009 1.00 0.00 WT2 O ATOM 29897 H1 TIP3 3073 5.746 34.677 12.593 1.00 0.00 WT2 H ATOM 29898 H2 TIP3 3073 -6.203 -17.906 9.382 1.00 0.00 WT2 H ATOM 29899 OH2 TIP3 3076 -3.528 3.048 -3.210 1.00 0.00 WT2 O ATOM 29900 H1 TIP3 3076 8.470 6.640 -14.965 1.00 0.00 WT2 H ATOM 29901 H2 TIP3 3076 2.124 -5.292 -19.362 1.00 0.00 WT2 H ATOM 29902 OH2 TIP3 3085 -3.727 1.150 5.409 1.00 0.00 WT2 O ATOM 29903 H1 TIP3 3085 -15.237 -25.117 4.691 1.00 0.00 WT2 H ATOM 29904 H2 TIP3 3085 17.448 -7.245 7.733 1.00 0.00 WT2 H ATOM 29905 OH2 TIP3 3086 -1.339 1.017 -1.372 1.00 0.00 WT2 O ATOM 29906 H1 TIP3 3086 -10.534 -7.452 -7.874 1.00 0.00 WT2 H ATOM 29907 H2 TIP3 3086 0.936 1.820 -8.296 1.00 0.00 WT2 H ATOM 29908 OH2 TIP3 3087 -0.589 -7.452 -6.475 1.00 0.00 WT2 O ATOM 29909 H1 TIP3 3087 -3.081 -18.720 3.560 1.00 0.00 WT2 H ATOM 29910 H2 TIP3 3087 -11.102 -15.885 -12.173 1.00 0.00 WT2 H ATOM 29911 OH2 TIP3 3088 7.083 0.936 1.064 1.00 0.00 WT2 O ATOM 29912 H1 TIP3 3088 -8.025 -16.757 7.485 1.00 0.00 WT2 H ATOM 29913 H2 TIP3 3088 -1.521 7.585 -8.933 1.00 0.00 WT2 H ATOM 29914 OH2 TIP3 3091 0.793 1.523 11.808 1.00 0.00 WT2 O ATOM 29915 H1 TIP3 3091 -1.732 5.257 9.041 1.00 0.00 WT2 H ATOM 29916 H2 TIP3 3091 7.884 3.147 7.114 1.00 0.00 WT2 H ATOM 29917 OH2 TIP3 3092 -0.214 4.874 0.728 1.00 0.00 WT2 O ATOM 29918 H1 TIP3 3092 0.757 13.923 1.389 1.00 0.00 WT2 H ATOM 29919 H2 TIP3 3092 -1.293 -6.623 -11.153 1.00 0.00 WT2 H ATOM 29920 OH2 TIP3 3093 0.892 -1.714 2.674 1.00 0.00 WT2 O ATOM 29921 H1 TIP3 3093 2.598 -4.813 1.415 1.00 0.00 WT2 H ATOM 29922 H2 TIP3 3093 -2.023 -2.323 8.009 1.00 0.00 WT2 H ATOM 29923 OH2 TIP3 3094 -4.222 0.186 -9.912 1.00 0.00 WT2 O ATOM 29924 H1 TIP3 3094 2.807 15.741 -12.660 1.00 0.00 WT2 H ATOM 29925 H2 TIP3 3094 -0.985 0.083 -10.271 1.00 0.00 WT2 H ATOM 29926 OH2 TIP3 3095 -5.519 -3.726 6.875 1.00 0.00 WT2 O ATOM 29927 H1 TIP3 3095 -8.507 0.181 11.780 1.00 0.00 WT2 H ATOM 29928 H2 TIP3 3095 -5.267 0.467 0.993 1.00 0.00 WT2 H ATOM 29929 OH2 TIP3 3097 -0.568 4.651 1.300 1.00 0.00 WT2 O ATOM 29930 H1 TIP3 3097 5.245 -11.617 15.638 1.00 0.00 WT2 H ATOM 29931 H2 TIP3 3097 20.519 -31.338 -3.562 1.00 0.00 WT2 H ATOM 29932 OH2 TIP3 3108 0.146 -2.099 -2.480 1.00 0.00 WT2 O ATOM 29933 H1 TIP3 3108 2.836 -3.463 -8.292 1.00 0.00 WT2 H ATOM 29934 H2 TIP3 3108 10.921 -13.616 -3.415 1.00 0.00 WT2 H ATOM 29935 OH2 TIP3 3109 1.874 6.512 -7.964 1.00 0.00 WT2 O ATOM 29936 H1 TIP3 3109 8.488 -18.454 7.669 1.00 0.00 WT2 H ATOM 29937 H2 TIP3 3109 -12.719 33.639 -5.240 1.00 0.00 WT2 H ATOM 29938 OH2 TIP3 3110 -2.289 -0.290 2.905 1.00 0.00 WT2 O ATOM 29939 H1 TIP3 3110 -25.739 -6.816 -17.472 1.00 0.00 WT2 H ATOM 29940 H2 TIP3 3110 -28.896 -22.593 3.526 1.00 0.00 WT2 H ATOM 29941 OH2 TIP3 3111 5.643 -3.376 4.288 1.00 0.00 WT2 O ATOM 29942 H1 TIP3 3111 16.672 -9.147 -9.055 1.00 0.00 WT2 H ATOM 29943 H2 TIP3 3111 7.585 8.632 6.985 1.00 0.00 WT2 H ATOM 29944 OH2 TIP3 3112 -2.125 -0.783 3.980 1.00 0.00 WT2 O ATOM 29945 H1 TIP3 3112 -9.742 8.205 -16.637 1.00 0.00 WT2 H ATOM 29946 H2 TIP3 3112 -1.698 8.355 -0.898 1.00 0.00 WT2 H ATOM 29947 OH2 TIP3 3114 2.060 -1.566 -7.039 1.00 0.00 WT2 O ATOM 29948 H1 TIP3 3114 8.940 6.840 -13.957 1.00 0.00 WT2 H ATOM 29949 H2 TIP3 3114 -9.341 7.923 -6.629 1.00 0.00 WT2 H ATOM 29950 OH2 TIP3 3115 -0.824 -0.248 3.228 1.00 0.00 WT2 O ATOM 29951 H1 TIP3 3115 7.461 -14.669 10.778 1.00 0.00 WT2 H ATOM 29952 H2 TIP3 3115 9.301 -9.495 7.559 1.00 0.00 WT2 H ATOM 29953 OH2 TIP3 3116 -2.351 0.125 -2.776 1.00 0.00 WT2 O ATOM 29954 H1 TIP3 3116 7.554 1.775 -9.570 1.00 0.00 WT2 H ATOM 29955 H2 TIP3 3116 -18.859 -1.220 6.411 1.00 0.00 WT2 H ATOM 29956 OH2 TIP3 3128 -1.041 -2.668 -3.167 1.00 0.00 WT2 O ATOM 29957 H1 TIP3 3128 0.739 25.891 -5.216 1.00 0.00 WT2 H ATOM 29958 H2 TIP3 3128 -21.885 -0.447 -1.550 1.00 0.00 WT2 H ATOM 29959 OH2 TIP3 3129 -5.530 -0.290 6.191 1.00 0.00 WT2 O ATOM 29960 H1 TIP3 3129 5.004 5.611 -2.286 1.00 0.00 WT2 H ATOM 29961 H2 TIP3 3129 0.941 8.976 11.199 1.00 0.00 WT2 H ATOM 29962 OH2 TIP3 3131 2.108 2.367 1.640 1.00 0.00 WT2 O ATOM 29963 H1 TIP3 3131 5.514 -3.920 1.527 1.00 0.00 WT2 H ATOM 29964 H2 TIP3 3131 2.272 -9.455 -3.117 1.00 0.00 WT2 H ATOM 29965 OH2 TIP3 3134 3.129 -2.460 -0.231 1.00 0.00 WT2 O ATOM 29966 H1 TIP3 3134 4.098 1.013 4.919 1.00 0.00 WT2 H ATOM 29967 H2 TIP3 3134 -11.178 10.444 12.734 1.00 0.00 WT2 H ATOM 29968 OH2 TIP3 3140 -2.049 2.424 3.950 1.00 0.00 WT2 O ATOM 29969 H1 TIP3 3140 9.799 -15.916 5.075 1.00 0.00 WT2 H ATOM 29970 H2 TIP3 3140 -23.999 16.851 -2.933 1.00 0.00 WT2 H ATOM 29971 OH2 TIP3 3150 0.145 4.819 -4.526 1.00 0.00 WT2 O ATOM 29972 H1 TIP3 3150 9.990 -5.948 10.937 1.00 0.00 WT2 H ATOM 29973 H2 TIP3 3150 -9.088 21.168 -7.819 1.00 0.00 WT2 H ATOM 29974 OH2 TIP3 3151 -4.744 1.133 -2.441 1.00 0.00 WT2 O ATOM 29975 H1 TIP3 3151 -1.273 2.048 -3.358 1.00 0.00 WT2 H ATOM 29976 H2 TIP3 3151 -10.485 -4.940 -8.146 1.00 0.00 WT2 H ATOM 29977 OH2 TIP3 3152 0.139 -6.104 3.259 1.00 0.00 WT2 O ATOM 29978 H1 TIP3 3152 25.822 -10.889 11.429 1.00 0.00 WT2 H ATOM 29979 H2 TIP3 3152 -15.343 -12.163 -0.895 1.00 0.00 WT2 H ATOM 29980 OH2 TIP3 3153 3.134 1.627 -1.170 1.00 0.00 WT2 O ATOM 29981 H1 TIP3 3153 -19.422 -11.026 -17.255 1.00 0.00 WT2 H ATOM 29982 H2 TIP3 3153 11.013 6.998 -15.996 1.00 0.00 WT2 H ATOM 29983 OH2 TIP3 3154 -3.123 4.556 -3.914 1.00 0.00 WT2 O ATOM 29984 H1 TIP3 3154 -10.758 4.259 1.725 1.00 0.00 WT2 H ATOM 29985 H2 TIP3 3154 -8.521 11.307 -1.603 1.00 0.00 WT2 H ATOM 29986 OH2 TIP3 3157 2.093 9.295 -2.282 1.00 0.00 WT2 O ATOM 29987 H1 TIP3 3157 1.601 0.809 -2.063 1.00 0.00 WT2 H ATOM 29988 H2 TIP3 3157 9.000 10.449 2.596 1.00 0.00 WT2 H ATOM 29989 OH2 TIP3 3173 -1.658 -4.020 -2.474 1.00 0.00 WT2 O ATOM 29990 H1 TIP3 3173 -2.849 -6.532 -8.393 1.00 0.00 WT2 H ATOM 29991 H2 TIP3 3173 -0.008 8.152 0.110 1.00 0.00 WT2 H ATOM 29992 OH2 TIP3 3174 -2.632 -3.932 -5.845 1.00 0.00 WT2 O ATOM 29993 H1 TIP3 3174 -4.717 9.518 10.655 1.00 0.00 WT2 H ATOM 29994 H2 TIP3 3174 -3.496 4.251 6.224 1.00 0.00 WT2 H ATOM 29995 OH2 TIP3 3176 1.127 1.657 6.682 1.00 0.00 WT2 O ATOM 29996 H1 TIP3 3176 -15.722 -5.102 6.447 1.00 0.00 WT2 H ATOM 29997 H2 TIP3 3176 12.130 -7.006 -1.750 1.00 0.00 WT2 H ATOM 29998 OH2 TIP3 3177 1.264 -3.792 -2.100 1.00 0.00 WT2 O ATOM 29999 H1 TIP3 3177 0.499 -0.563 -2.132 1.00 0.00 WT2 H ATOM 30000 H2 TIP3 3177 4.155 -40.074 -0.073 1.00 0.00 WT2 H ATOM 30001 OH2 TIP3 3179 0.255 -4.552 -5.681 1.00 0.00 WT2 O ATOM 30002 H1 TIP3 3179 -9.402 -1.332 -0.233 1.00 0.00 WT2 H ATOM 30003 H2 TIP3 3179 5.608 6.840 -4.982 1.00 0.00 WT2 H ATOM 30004 OH2 TIP3 3187 0.250 3.432 5.118 1.00 0.00 WT2 O ATOM 30005 H1 TIP3 3187 11.117 5.473 -1.204 1.00 0.00 WT2 H ATOM 30006 H2 TIP3 3187 9.814 -7.638 0.066 1.00 0.00 WT2 H ATOM 30007 OH2 TIP3 3192 4.471 -1.252 -2.096 1.00 0.00 WT2 O ATOM 30008 H1 TIP3 3192 -6.521 -11.830 5.717 1.00 0.00 WT2 H ATOM 30009 H2 TIP3 3192 -24.932 0.447 7.207 1.00 0.00 WT2 H ATOM 30010 OH2 TIP3 3193 -2.449 0.182 -1.147 1.00 0.00 WT2 O ATOM 30011 H1 TIP3 3193 9.588 -0.352 0.005 1.00 0.00 WT2 H ATOM 30012 H2 TIP3 3193 13.374 -27.288 5.116 1.00 0.00 WT2 H ATOM 30013 OH2 TIP3 3195 -1.025 -1.948 3.894 1.00 0.00 WT2 O ATOM 30014 H1 TIP3 3195 1.413 -1.847 -0.953 1.00 0.00 WT2 H ATOM 30015 H2 TIP3 3195 -0.584 35.858 -24.133 1.00 0.00 WT2 H ATOM 30016 OH2 TIP3 3196 -0.438 4.067 3.062 1.00 0.00 WT2 O ATOM 30017 H1 TIP3 3196 15.182 3.819 17.492 1.00 0.00 WT2 H ATOM 30018 H2 TIP3 3196 -4.322 -1.032 -2.586 1.00 0.00 WT2 H ATOM 30019 OH2 TIP3 3197 2.099 2.375 1.919 1.00 0.00 WT2 O ATOM 30020 H1 TIP3 3197 0.007 -13.877 -10.921 1.00 0.00 WT2 H ATOM 30021 H2 TIP3 3197 -19.866 8.003 8.414 1.00 0.00 WT2 H ATOM 30022 OH2 TIP3 3198 -1.059 -1.980 0.495 1.00 0.00 WT2 O ATOM 30023 H1 TIP3 3198 6.207 0.450 -5.629 1.00 0.00 WT2 H ATOM 30024 H2 TIP3 3198 -3.415 -3.780 -1.007 1.00 0.00 WT2 H ATOM 30025 OH2 TIP3 3200 -0.884 -8.791 -10.790 1.00 0.00 WT2 O ATOM 30026 H1 TIP3 3200 22.856 -15.751 10.413 1.00 0.00 WT2 H ATOM 30027 H2 TIP3 3200 -0.462 -3.192 -20.649 1.00 0.00 WT2 H ATOM 30028 OH2 TIP3 3202 -5.790 3.077 0.582 1.00 0.00 WT2 O ATOM 30029 H1 TIP3 3202 -11.609 -5.622 6.619 1.00 0.00 WT2 H ATOM 30030 H2 TIP3 3202 -22.846 8.041 -4.750 1.00 0.00 WT2 H ATOM 30031 OH2 TIP3 3214 -5.266 -4.088 -2.269 1.00 0.00 WT2 O ATOM 30032 H1 TIP3 3214 -8.970 11.218 24.896 1.00 0.00 WT2 H ATOM 30033 H2 TIP3 3214 -4.870 2.534 4.486 1.00 0.00 WT2 H ATOM 30034 OH2 TIP3 3215 -5.652 -2.629 -0.694 1.00 0.00 WT2 O ATOM 30035 H1 TIP3 3215 6.810 -5.286 6.431 1.00 0.00 WT2 H ATOM 30036 H2 TIP3 3215 -28.887 -12.686 5.584 1.00 0.00 WT2 H ATOM 30037 OH2 TIP3 3218 -2.499 3.017 5.057 1.00 0.00 WT2 O ATOM 30038 H1 TIP3 3218 -8.437 4.934 -5.462 1.00 0.00 WT2 H ATOM 30039 H2 TIP3 3218 -8.775 -0.065 -0.859 1.00 0.00 WT2 H ATOM 30040 OH2 TIP3 3220 10.081 3.357 9.963 1.00 0.00 WT2 O ATOM 30041 H1 TIP3 3220 -5.051 9.470 8.363 1.00 0.00 WT2 H ATOM 30042 H2 TIP3 3220 9.636 5.542 2.271 1.00 0.00 WT2 H ATOM 30043 OH2 TIP3 3233 7.164 1.445 -1.645 1.00 0.00 WT2 O ATOM 30044 H1 TIP3 3233 14.624 -13.684 5.769 1.00 0.00 WT2 H ATOM 30045 H2 TIP3 3233 -1.845 5.537 2.983 1.00 0.00 WT2 H ATOM 30046 OH2 TIP3 3234 2.421 5.083 -0.563 1.00 0.00 WT2 O ATOM 30047 H1 TIP3 3234 1.526 5.875 -7.851 1.00 0.00 WT2 H ATOM 30048 H2 TIP3 3234 22.212 15.592 5.219 1.00 0.00 WT2 H ATOM 30049 OH2 TIP3 3236 1.156 -2.517 -0.386 1.00 0.00 WT2 O ATOM 30050 H1 TIP3 3236 4.134 0.987 -22.994 1.00 0.00 WT2 H ATOM 30051 H2 TIP3 3236 -11.768 -3.134 -6.742 1.00 0.00 WT2 H ATOM 30052 OH2 TIP3 3237 5.358 1.555 5.838 1.00 0.00 WT2 O ATOM 30053 H1 TIP3 3237 4.066 -4.809 -17.842 1.00 0.00 WT2 H ATOM 30054 H2 TIP3 3237 -5.007 25.532 -8.114 1.00 0.00 WT2 H ATOM 30055 OH2 TIP3 3238 -0.391 -0.954 4.465 1.00 0.00 WT2 O ATOM 30056 H1 TIP3 3238 4.583 -7.901 -1.793 1.00 0.00 WT2 H ATOM 30057 H2 TIP3 3238 -1.484 -4.391 6.383 1.00 0.00 WT2 H ATOM 30058 OH2 TIP3 3239 -2.995 3.841 -7.855 1.00 0.00 WT2 O ATOM 30059 H1 TIP3 3239 -9.215 -14.661 -17.893 1.00 0.00 WT2 H ATOM 30060 H2 TIP3 3239 3.314 -6.332 -11.533 1.00 0.00 WT2 H ATOM 30061 OH2 TIP3 3240 1.520 0.604 -2.055 1.00 0.00 WT2 O ATOM 30062 H1 TIP3 3240 -9.339 -30.228 6.043 1.00 0.00 WT2 H ATOM 30063 H2 TIP3 3240 -3.434 -15.830 8.027 1.00 0.00 WT2 H ATOM 30064 OH2 TIP3 3241 -4.691 -0.829 -2.193 1.00 0.00 WT2 O ATOM 30065 H1 TIP3 3241 -2.520 3.163 -18.580 1.00 0.00 WT2 H ATOM 30066 H2 TIP3 3241 -11.070 -9.227 11.518 1.00 0.00 WT2 H ATOM 30067 OH2 TIP3 3242 -5.572 3.768 2.011 1.00 0.00 WT2 O ATOM 30068 H1 TIP3 3242 -1.915 -5.609 -3.757 1.00 0.00 WT2 H ATOM 30069 H2 TIP3 3242 -18.801 11.384 -5.665 1.00 0.00 WT2 H ATOM 30070 OH2 TIP3 3243 -2.603 -0.174 -1.755 1.00 0.00 WT2 O ATOM 30071 H1 TIP3 3243 0.419 16.114 -3.589 1.00 0.00 WT2 H ATOM 30072 H2 TIP3 3243 -21.678 -18.864 0.774 1.00 0.00 WT2 H ATOM 30073 OH2 TIP3 3244 -0.190 0.526 -6.628 1.00 0.00 WT2 O ATOM 30074 H1 TIP3 3244 0.469 -11.570 -9.964 1.00 0.00 WT2 H ATOM 30075 H2 TIP3 3244 1.180 -3.848 5.395 1.00 0.00 WT2 H ATOM 30076 OH2 TIP3 3257 -2.743 -0.107 -2.251 1.00 0.00 WT2 O ATOM 30077 H1 TIP3 3257 12.102 28.318 -8.338 1.00 0.00 WT2 H ATOM 30078 H2 TIP3 3257 9.427 -15.084 28.773 1.00 0.00 WT2 H ATOM 30079 OH2 TIP3 3258 -2.907 -2.485 2.479 1.00 0.00 WT2 O ATOM 30080 H1 TIP3 3258 -3.466 13.796 0.679 1.00 0.00 WT2 H ATOM 30081 H2 TIP3 3258 -5.679 -8.376 2.669 1.00 0.00 WT2 H ATOM 30082 OH2 TIP3 3262 -2.160 -0.576 0.315 1.00 0.00 WT2 O ATOM 30083 H1 TIP3 3262 8.926 0.426 8.570 1.00 0.00 WT2 H ATOM 30084 H2 TIP3 3262 -8.633 1.982 11.096 1.00 0.00 WT2 H ATOM 30085 OH2 TIP3 3274 4.665 -8.626 -0.734 1.00 0.00 WT2 O ATOM 30086 H1 TIP3 3274 5.313 -9.254 2.040 1.00 0.00 WT2 H ATOM 30087 H2 TIP3 3274 1.182 -9.194 4.770 1.00 0.00 WT2 H ATOM 30088 OH2 TIP3 3275 9.948 -2.851 5.460 1.00 0.00 WT2 O ATOM 30089 H1 TIP3 3275 7.889 0.144 9.663 1.00 0.00 WT2 H ATOM 30090 H2 TIP3 3275 1.558 -2.915 7.455 1.00 0.00 WT2 H ATOM 30091 OH2 TIP3 3276 -3.118 -4.246 4.491 1.00 0.00 WT2 O ATOM 30092 H1 TIP3 3276 -2.251 -2.763 8.320 1.00 0.00 WT2 H ATOM 30093 H2 TIP3 3276 -5.703 -19.903 -5.413 1.00 0.00 WT2 H ATOM 30094 OH2 TIP3 3277 -1.253 3.352 -0.121 1.00 0.00 WT2 O ATOM 30095 H1 TIP3 3277 -15.847 21.015 14.755 1.00 0.00 WT2 H ATOM 30096 H2 TIP3 3277 7.272 -8.930 -13.973 1.00 0.00 WT2 H ATOM 30097 OH2 TIP3 3278 -7.864 7.605 3.237 1.00 0.00 WT2 O ATOM 30098 H1 TIP3 3278 5.642 4.319 25.259 1.00 0.00 WT2 H ATOM 30099 H2 TIP3 3278 -2.804 0.194 15.951 1.00 0.00 WT2 H ATOM 30100 OH2 TIP3 3279 -0.233 -0.953 -6.928 1.00 0.00 WT2 O ATOM 30101 H1 TIP3 3279 17.064 -0.546 -2.752 1.00 0.00 WT2 H ATOM 30102 H2 TIP3 3279 -0.214 14.802 -2.208 1.00 0.00 WT2 H ATOM 30103 OH2 TIP3 3280 -3.025 5.250 8.248 1.00 0.00 WT2 O ATOM 30104 H1 TIP3 3280 -1.704 12.010 -7.124 1.00 0.00 WT2 H ATOM 30105 H2 TIP3 3280 -9.459 22.959 -24.186 1.00 0.00 WT2 H ATOM 30106 OH2 TIP3 3282 -5.078 -0.517 -1.273 1.00 0.00 WT2 O ATOM 30107 H1 TIP3 3282 -4.982 33.383 -9.882 1.00 0.00 WT2 H ATOM 30108 H2 TIP3 3282 -16.874 29.598 12.044 1.00 0.00 WT2 H ATOM 30109 OH2 TIP3 3283 3.104 -0.837 2.596 1.00 0.00 WT2 O ATOM 30110 H1 TIP3 3283 2.341 17.493 -6.692 1.00 0.00 WT2 H ATOM 30111 H2 TIP3 3283 2.014 15.301 -5.843 1.00 0.00 WT2 H ATOM 30112 OH2 TIP3 3284 -0.080 -7.954 1.494 1.00 0.00 WT2 O ATOM 30113 H1 TIP3 3284 1.168 -4.828 -21.452 1.00 0.00 WT2 H ATOM 30114 H2 TIP3 3284 0.151 -8.157 -14.337 1.00 0.00 WT2 H ATOM 30115 OH2 TIP3 3296 -4.848 2.651 -8.170 1.00 0.00 WT2 O ATOM 30116 H1 TIP3 3296 -12.546 16.948 -16.208 1.00 0.00 WT2 H ATOM 30117 H2 TIP3 3296 10.135 8.662 -13.229 1.00 0.00 WT2 H ATOM 30118 OH2 TIP3 3298 1.838 4.650 2.535 1.00 0.00 WT2 O ATOM 30119 H1 TIP3 3298 3.685 1.907 0.364 1.00 0.00 WT2 H ATOM 30120 H2 TIP3 3298 8.075 10.287 -11.384 1.00 0.00 WT2 H ATOM 30121 OH2 TIP3 3301 -4.150 -0.234 8.359 1.00 0.00 WT2 O ATOM 30122 H1 TIP3 3301 18.513 7.309 12.096 1.00 0.00 WT2 H ATOM 30123 H2 TIP3 3301 -11.978 12.896 7.114 1.00 0.00 WT2 H ATOM 30124 OH2 TIP3 3302 -0.088 0.294 -7.396 1.00 0.00 WT2 O ATOM 30125 H1 TIP3 3302 2.293 -7.971 16.130 1.00 0.00 WT2 H ATOM 30126 H2 TIP3 3302 -1.233 -6.472 -3.932 1.00 0.00 WT2 H ATOM 30127 OH2 TIP3 3303 -0.638 0.643 -1.869 1.00 0.00 WT2 O ATOM 30128 H1 TIP3 3303 -15.105 6.485 -13.151 1.00 0.00 WT2 H ATOM 30129 H2 TIP3 3303 -8.398 3.929 -9.400 1.00 0.00 WT2 H ATOM 30130 OH2 TIP3 3304 -0.037 -1.499 3.741 1.00 0.00 WT2 O ATOM 30131 H1 TIP3 3304 -6.336 -0.463 -13.413 1.00 0.00 WT2 H ATOM 30132 H2 TIP3 3304 7.467 -11.540 3.008 1.00 0.00 WT2 H ATOM 30133 OH2 TIP3 3308 3.341 -2.143 -3.273 1.00 0.00 WT2 O ATOM 30134 H1 TIP3 3308 5.064 -0.987 6.493 1.00 0.00 WT2 H ATOM 30135 H2 TIP3 3308 -19.011 -22.157 -4.579 1.00 0.00 WT2 H ATOM 30136 OH2 TIP3 3317 -3.325 2.278 -0.739 1.00 0.00 WT2 O ATOM 30137 H1 TIP3 3317 -16.325 0.315 -13.958 1.00 0.00 WT2 H ATOM 30138 H2 TIP3 3317 -9.148 5.814 21.121 1.00 0.00 WT2 H ATOM 30139 OH2 TIP3 3319 11.143 -1.672 -5.195 1.00 0.00 WT2 O ATOM 30140 H1 TIP3 3319 18.301 -9.855 -3.263 1.00 0.00 WT2 H ATOM 30141 H2 TIP3 3319 -4.989 12.619 -11.033 1.00 0.00 WT2 H ATOM 30142 OH2 TIP3 3320 -6.476 4.890 -4.387 1.00 0.00 WT2 O ATOM 30143 H1 TIP3 3320 -11.112 4.661 5.000 1.00 0.00 WT2 H ATOM 30144 H2 TIP3 3320 3.476 9.087 -9.057 1.00 0.00 WT2 H ATOM 30145 OH2 TIP3 3321 1.783 -2.292 1.935 1.00 0.00 WT2 O ATOM 30146 H1 TIP3 3321 4.305 -2.455 13.657 1.00 0.00 WT2 H ATOM 30147 H2 TIP3 3321 -5.512 6.152 -16.018 1.00 0.00 WT2 H ATOM 30148 OH2 TIP3 3322 0.035 1.938 -5.679 1.00 0.00 WT2 O ATOM 30149 H1 TIP3 3322 -11.886 -7.582 -8.455 1.00 0.00 WT2 H ATOM 30150 H2 TIP3 3322 0.748 2.895 12.256 1.00 0.00 WT2 H ATOM 30151 OH2 TIP3 3323 -4.069 -4.022 -0.711 1.00 0.00 WT2 O ATOM 30152 H1 TIP3 3323 -18.307 -14.167 -11.566 1.00 0.00 WT2 H ATOM 30153 H2 TIP3 3323 2.821 -13.286 -3.798 1.00 0.00 WT2 H ATOM 30154 OH2 TIP3 3326 5.097 -7.535 3.318 1.00 0.00 WT2 O ATOM 30155 H1 TIP3 3326 2.879 8.081 22.229 1.00 0.00 WT2 H ATOM 30156 H2 TIP3 3326 -10.279 -8.635 -3.660 1.00 0.00 WT2 H ATOM 30157 OH2 TIP3 3337 -4.803 5.179 -8.212 1.00 0.00 WT2 O ATOM 30158 H1 TIP3 3337 18.022 -2.745 -7.879 1.00 0.00 WT2 H ATOM 30159 H2 TIP3 3337 -1.946 -20.030 9.881 1.00 0.00 WT2 H ATOM 30160 OH2 TIP3 3341 -0.473 3.859 -0.052 1.00 0.00 WT2 O ATOM 30161 H1 TIP3 3341 -20.060 -28.538 -13.099 1.00 0.00 WT2 H ATOM 30162 H2 TIP3 3341 -5.929 -0.459 4.837 1.00 0.00 WT2 H ATOM 30163 OH2 TIP3 3342 -5.314 0.842 1.735 1.00 0.00 WT2 O ATOM 30164 H1 TIP3 3342 -6.384 -19.141 2.961 1.00 0.00 WT2 H ATOM 30165 H2 TIP3 3342 12.135 2.781 11.512 1.00 0.00 WT2 H ATOM 30166 OH2 TIP3 3344 -3.220 3.093 -6.349 1.00 0.00 WT2 O ATOM 30167 H1 TIP3 3344 -14.820 34.571 -7.470 1.00 0.00 WT2 H ATOM 30168 H2 TIP3 3344 -3.581 -21.441 11.067 1.00 0.00 WT2 H ATOM 30169 OH2 TIP3 3345 2.927 2.489 -2.943 1.00 0.00 WT2 O ATOM 30170 H1 TIP3 3345 -16.312 2.937 -9.655 1.00 0.00 WT2 H ATOM 30171 H2 TIP3 3345 -0.166 0.564 12.572 1.00 0.00 WT2 H ATOM 30172 OH2 TIP3 3347 0.219 -3.594 4.654 1.00 0.00 WT2 O ATOM 30173 H1 TIP3 3347 4.763 18.021 -6.998 1.00 0.00 WT2 H ATOM 30174 H2 TIP3 3347 -21.062 16.682 14.446 1.00 0.00 WT2 H ATOM 30175 OH2 TIP3 3348 -1.847 2.998 -7.963 1.00 0.00 WT2 O ATOM 30176 H1 TIP3 3348 3.594 -11.310 4.615 1.00 0.00 WT2 H ATOM 30177 H2 TIP3 3348 19.923 -8.908 -27.180 1.00 0.00 WT2 H ATOM 30178 OH2 TIP3 3349 2.637 1.827 0.605 1.00 0.00 WT2 O ATOM 30179 H1 TIP3 3349 3.478 -0.165 9.188 1.00 0.00 WT2 H ATOM 30180 H2 TIP3 3349 -4.845 -4.305 9.236 1.00 0.00 WT2 H ATOM 30181 OH2 TIP3 3360 -0.295 -0.613 -4.550 1.00 0.00 WT2 O ATOM 30182 H1 TIP3 3360 -8.755 -1.484 2.008 1.00 0.00 WT2 H ATOM 30183 H2 TIP3 3360 -5.699 3.109 -0.135 1.00 0.00 WT2 H ATOM 30184 OH2 TIP3 3361 2.583 -1.729 0.980 1.00 0.00 WT2 O ATOM 30185 H1 TIP3 3361 -2.751 4.515 0.606 1.00 0.00 WT2 H ATOM 30186 H2 TIP3 3361 -7.021 9.186 3.752 1.00 0.00 WT2 H ATOM 30187 OH2 TIP3 3362 3.413 8.175 0.742 1.00 0.00 WT2 O ATOM 30188 H1 TIP3 3362 0.253 14.858 -15.673 1.00 0.00 WT2 H ATOM 30189 H2 TIP3 3362 -0.880 19.568 8.769 1.00 0.00 WT2 H ATOM 30190 OH2 TIP3 3363 -0.240 -7.295 3.291 1.00 0.00 WT2 O ATOM 30191 H1 TIP3 3363 10.432 -1.041 2.762 1.00 0.00 WT2 H ATOM 30192 H2 TIP3 3363 -10.850 -15.147 2.018 1.00 0.00 WT2 H ATOM 30193 OH2 TIP3 3364 -1.542 -6.068 12.869 1.00 0.00 WT2 O ATOM 30194 H1 TIP3 3364 5.418 5.671 12.209 1.00 0.00 WT2 H ATOM 30195 H2 TIP3 3364 -5.865 -0.119 -2.888 1.00 0.00 WT2 H ATOM 30196 OH2 TIP3 3366 1.589 -2.881 0.958 1.00 0.00 WT2 O ATOM 30197 H1 TIP3 3366 7.277 -9.208 2.525 1.00 0.00 WT2 H ATOM 30198 H2 TIP3 3366 -11.459 20.015 6.116 1.00 0.00 WT2 H ATOM 30199 OH2 TIP3 3367 -0.726 1.190 -0.959 1.00 0.00 WT2 O ATOM 30200 H1 TIP3 3367 -3.595 10.383 15.812 1.00 0.00 WT2 H ATOM 30201 H2 TIP3 3367 12.696 12.943 -6.239 1.00 0.00 WT2 H ATOM 30202 OH2 TIP3 3381 1.897 0.132 1.611 1.00 0.00 WT2 O ATOM 30203 H1 TIP3 3381 2.791 2.076 5.068 1.00 0.00 WT2 H ATOM 30204 H2 TIP3 3381 6.253 -2.474 11.798 1.00 0.00 WT2 H ATOM 30205 OH2 TIP3 3382 -1.662 -5.168 1.078 1.00 0.00 WT2 O ATOM 30206 H1 TIP3 3382 -5.328 -0.423 0.238 1.00 0.00 WT2 H ATOM 30207 H2 TIP3 3382 -1.144 2.444 12.659 1.00 0.00 WT2 H ATOM 30208 OH2 TIP3 3383 0.816 -6.875 -2.948 1.00 0.00 WT2 O ATOM 30209 H1 TIP3 3383 -3.542 -9.657 2.170 1.00 0.00 WT2 H ATOM 30210 H2 TIP3 3383 -1.868 -8.149 -1.466 1.00 0.00 WT2 H ATOM 30211 OH2 TIP3 3384 2.291 -0.681 -6.385 1.00 0.00 WT2 O ATOM 30212 H1 TIP3 3384 -3.648 0.543 4.046 1.00 0.00 WT2 H ATOM 30213 H2 TIP3 3384 5.431 -5.307 -2.115 1.00 0.00 WT2 H ATOM 30214 OH2 TIP3 3386 2.637 -9.078 3.559 1.00 0.00 WT2 O ATOM 30215 H1 TIP3 3386 2.121 -6.902 4.716 1.00 0.00 WT2 H ATOM 30216 H2 TIP3 3386 5.634 -13.571 4.191 1.00 0.00 WT2 H ATOM 30217 OH2 TIP3 3387 -7.876 -2.467 2.676 1.00 0.00 WT2 O ATOM 30218 H1 TIP3 3387 -13.499 11.940 14.738 1.00 0.00 WT2 H ATOM 30219 H2 TIP3 3387 -12.263 10.241 14.208 1.00 0.00 WT2 H ATOM 30220 OH2 TIP3 3388 2.488 5.879 -0.422 1.00 0.00 WT2 O ATOM 30221 H1 TIP3 3388 -13.224 -26.537 30.907 1.00 0.00 WT2 H ATOM 30222 H2 TIP3 3388 21.774 17.644 -6.711 1.00 0.00 WT2 H ATOM 30223 OH2 TIP3 3389 3.072 0.531 -0.853 1.00 0.00 WT2 O ATOM 30224 H1 TIP3 3389 -1.764 -7.620 -11.905 1.00 0.00 WT2 H ATOM 30225 H2 TIP3 3389 28.208 -12.717 -0.416 1.00 0.00 WT2 H ATOM 30226 OH2 TIP3 3402 0.374 -3.128 2.041 1.00 0.00 WT2 O ATOM 30227 H1 TIP3 3402 7.928 4.156 -2.838 1.00 0.00 WT2 H ATOM 30228 H2 TIP3 3402 5.332 -3.236 11.182 1.00 0.00 WT2 H ATOM 30229 OH2 TIP3 3404 0.626 -0.637 -8.000 1.00 0.00 WT2 O ATOM 30230 H1 TIP3 3404 -6.814 2.577 -7.625 1.00 0.00 WT2 H ATOM 30231 H2 TIP3 3404 -6.161 -1.372 -11.871 1.00 0.00 WT2 H ATOM 30232 OH2 TIP3 3405 8.901 -6.905 0.531 1.00 0.00 WT2 O ATOM 30233 H1 TIP3 3405 15.807 12.560 25.671 1.00 0.00 WT2 H ATOM 30234 H2 TIP3 3405 -5.255 -22.500 -14.268 1.00 0.00 WT2 H ATOM 30235 OH2 TIP3 3406 0.599 1.616 -0.283 1.00 0.00 WT2 O ATOM 30236 H1 TIP3 3406 -2.283 0.827 -1.714 1.00 0.00 WT2 H ATOM 30237 H2 TIP3 3406 11.192 2.830 2.460 1.00 0.00 WT2 H ATOM 30238 OH2 TIP3 3407 2.101 0.619 7.362 1.00 0.00 WT2 O ATOM 30239 H1 TIP3 3407 -3.557 -16.166 10.911 1.00 0.00 WT2 H ATOM 30240 H2 TIP3 3407 17.483 -12.925 10.088 1.00 0.00 WT2 H ATOM 30241 OH2 TIP3 3408 -5.199 -0.463 -2.034 1.00 0.00 WT2 O ATOM 30242 H1 TIP3 3408 -13.844 -11.637 -3.972 1.00 0.00 WT2 H ATOM 30243 H2 TIP3 3408 -5.578 15.032 -12.600 1.00 0.00 WT2 H ATOM 30244 OH2 TIP3 3409 2.446 0.330 0.826 1.00 0.00 WT2 O ATOM 30245 H1 TIP3 3409 -14.221 -10.440 -4.990 1.00 0.00 WT2 H ATOM 30246 H2 TIP3 3409 1.384 1.741 8.421 1.00 0.00 WT2 H ATOM 30247 OH2 TIP3 3411 5.614 2.466 1.559 1.00 0.00 WT2 O ATOM 30248 H1 TIP3 3411 27.725 -5.696 -20.189 1.00 0.00 WT2 H ATOM 30249 H2 TIP3 3411 0.291 -6.445 -5.239 1.00 0.00 WT2 H ATOM 30250 OH2 TIP3 3422 -9.239 -1.896 1.055 1.00 0.00 WT2 O ATOM 30251 H1 TIP3 3422 -26.972 -5.741 21.053 1.00 0.00 WT2 H ATOM 30252 H2 TIP3 3422 8.229 -23.308 -0.395 1.00 0.00 WT2 H ATOM 30253 OH2 TIP3 3424 -7.925 -5.204 1.839 1.00 0.00 WT2 O ATOM 30254 H1 TIP3 3424 -20.960 8.664 2.774 1.00 0.00 WT2 H ATOM 30255 H2 TIP3 3424 1.635 -15.618 0.478 1.00 0.00 WT2 H ATOM 30256 OH2 TIP3 3426 -2.403 0.348 9.608 1.00 0.00 WT2 O ATOM 30257 H1 TIP3 3426 -1.469 -3.304 10.925 1.00 0.00 WT2 H ATOM 30258 H2 TIP3 3426 14.864 -7.105 7.234 1.00 0.00 WT2 H ATOM 30259 OH2 TIP3 3427 -1.381 3.316 4.884 1.00 0.00 WT2 O ATOM 30260 H1 TIP3 3427 15.188 -3.121 21.704 1.00 0.00 WT2 H ATOM 30261 H2 TIP3 3427 -19.545 -3.189 13.918 1.00 0.00 WT2 H ATOM 30262 OH2 TIP3 3428 1.417 -2.560 1.027 1.00 0.00 WT2 O ATOM 30263 H1 TIP3 3428 24.346 5.922 31.027 1.00 0.00 WT2 H ATOM 30264 H2 TIP3 3428 -7.794 1.331 -22.253 1.00 0.00 WT2 H ATOM 30265 OH2 TIP3 3429 -1.133 -0.599 2.682 1.00 0.00 WT2 O ATOM 30266 H1 TIP3 3429 2.554 -17.570 1.183 1.00 0.00 WT2 H ATOM 30267 H2 TIP3 3429 1.527 -34.635 2.061 1.00 0.00 WT2 H ATOM 30268 OH2 TIP3 3430 -3.131 6.292 -4.393 1.00 0.00 WT2 O ATOM 30269 H1 TIP3 3430 -3.154 29.149 7.869 1.00 0.00 WT2 H ATOM 30270 H2 TIP3 3430 -14.628 2.574 -3.888 1.00 0.00 WT2 H ATOM 30271 OH2 TIP3 3431 3.480 -2.613 -4.862 1.00 0.00 WT2 O ATOM 30272 H1 TIP3 3431 -23.328 -9.577 0.762 1.00 0.00 WT2 H ATOM 30273 H2 TIP3 3431 -18.952 -6.652 -26.692 1.00 0.00 WT2 H ATOM 30274 OH2 TIP3 3442 2.549 4.018 -1.712 1.00 0.00 WT2 O ATOM 30275 H1 TIP3 3442 -5.257 15.609 7.510 1.00 0.00 WT2 H ATOM 30276 H2 TIP3 3442 18.518 6.159 3.634 1.00 0.00 WT2 H ATOM 30277 OH2 TIP3 3444 0.172 -1.403 -4.558 1.00 0.00 WT2 O ATOM 30278 H1 TIP3 3444 1.353 -8.589 -7.964 1.00 0.00 WT2 H ATOM 30279 H2 TIP3 3444 5.876 1.495 -5.893 1.00 0.00 WT2 H ATOM 30280 OH2 TIP3 3446 -6.760 -3.838 -4.640 1.00 0.00 WT2 O ATOM 30281 H1 TIP3 3446 3.826 -4.174 -14.233 1.00 0.00 WT2 H ATOM 30282 H2 TIP3 3446 -5.300 -4.149 5.552 1.00 0.00 WT2 H ATOM 30283 OH2 TIP3 3447 -0.142 -3.907 -5.812 1.00 0.00 WT2 O ATOM 30284 H1 TIP3 3447 -26.227 -14.081 -0.556 1.00 0.00 WT2 H ATOM 30285 H2 TIP3 3447 -31.353 6.744 -9.014 1.00 0.00 WT2 H ATOM 30286 OH2 TIP3 3449 -3.851 2.290 -1.253 1.00 0.00 WT2 O ATOM 30287 H1 TIP3 3449 -3.370 -1.187 7.922 1.00 0.00 WT2 H ATOM 30288 H2 TIP3 3449 -15.821 -4.059 16.880 1.00 0.00 WT2 H ATOM 30289 OH2 TIP3 3450 -0.521 -3.030 5.243 1.00 0.00 WT2 O ATOM 30290 H1 TIP3 3450 -15.614 -9.962 -2.712 1.00 0.00 WT2 H ATOM 30291 H2 TIP3 3450 -26.131 -16.798 -8.752 1.00 0.00 WT2 H ATOM 30292 OH2 TIP3 3465 -1.153 -2.622 2.897 1.00 0.00 WT2 O ATOM 30293 H1 TIP3 3465 20.397 -28.641 -7.792 1.00 0.00 WT2 H ATOM 30294 H2 TIP3 3465 -13.880 1.031 5.661 1.00 0.00 WT2 H ATOM 30295 OH2 TIP3 3466 -2.053 4.431 4.694 1.00 0.00 WT2 O ATOM 30296 H1 TIP3 3466 -25.372 5.752 35.528 1.00 0.00 WT2 H ATOM 30297 H2 TIP3 3466 -1.270 4.191 3.150 1.00 0.00 WT2 H ATOM 30298 OH2 TIP3 3467 4.500 -2.822 5.056 1.00 0.00 WT2 O ATOM 30299 H1 TIP3 3467 -4.308 -1.935 7.738 1.00 0.00 WT2 H ATOM 30300 H2 TIP3 3467 5.307 -2.047 5.123 1.00 0.00 WT2 H ATOM 30301 OH2 TIP3 3470 5.277 -0.509 -0.387 1.00 0.00 WT2 O ATOM 30302 H1 TIP3 3470 -7.517 10.023 -8.838 1.00 0.00 WT2 H ATOM 30303 H2 TIP3 3470 7.258 1.155 -0.502 1.00 0.00 WT2 H ATOM 30304 OH2 TIP3 3471 9.271 1.832 -0.847 1.00 0.00 WT2 O ATOM 30305 H1 TIP3 3471 4.648 -6.442 1.704 1.00 0.00 WT2 H ATOM 30306 H2 TIP3 3471 8.870 -8.950 -23.886 1.00 0.00 WT2 H ATOM 30307 OH2 TIP3 3472 2.890 4.154 2.153 1.00 0.00 WT2 O ATOM 30308 H1 TIP3 3472 11.066 -2.423 -0.961 1.00 0.00 WT2 H ATOM 30309 H2 TIP3 3472 -3.817 10.533 1.330 1.00 0.00 WT2 H ATOM 30310 OH2 TIP3 3473 -7.983 -1.594 0.714 1.00 0.00 WT2 O ATOM 30311 H1 TIP3 3473 -7.524 -17.070 -5.687 1.00 0.00 WT2 H ATOM 30312 H2 TIP3 3473 -5.622 8.935 -2.693 1.00 0.00 WT2 H ATOM 30313 OH2 TIP3 3484 -5.088 3.140 5.449 1.00 0.00 WT2 O ATOM 30314 H1 TIP3 3484 -9.473 -8.339 2.406 1.00 0.00 WT2 H ATOM 30315 H2 TIP3 3484 -27.752 4.651 -2.309 1.00 0.00 WT2 H ATOM 30316 OH2 TIP3 3486 -2.738 -10.311 -2.301 1.00 0.00 WT2 O ATOM 30317 H1 TIP3 3486 -6.495 -12.017 -3.488 1.00 0.00 WT2 H ATOM 30318 H2 TIP3 3486 1.885 -2.425 0.663 1.00 0.00 WT2 H ATOM 30319 OH2 TIP3 3488 -1.392 -5.211 3.203 1.00 0.00 WT2 O ATOM 30320 H1 TIP3 3488 -2.704 -2.380 5.745 1.00 0.00 WT2 H ATOM 30321 H2 TIP3 3488 0.799 -2.472 2.160 1.00 0.00 WT2 H ATOM 30322 OH2 TIP3 3489 -2.148 4.094 6.192 1.00 0.00 WT2 O ATOM 30323 H1 TIP3 3489 8.858 -3.669 -4.437 1.00 0.00 WT2 H ATOM 30324 H2 TIP3 3489 -5.201 5.369 5.708 1.00 0.00 WT2 H ATOM 30325 OH2 TIP3 3490 0.375 3.378 -5.858 1.00 0.00 WT2 O ATOM 30326 H1 TIP3 3490 -19.771 3.781 -2.445 1.00 0.00 WT2 H ATOM 30327 H2 TIP3 3490 -9.291 7.755 7.388 1.00 0.00 WT2 H ATOM 30328 OH2 TIP3 3494 -7.727 4.015 -7.614 1.00 0.00 WT2 O ATOM 30329 H1 TIP3 3494 -6.500 17.354 -18.561 1.00 0.00 WT2 H ATOM 30330 H2 TIP3 3494 12.772 -8.762 -10.195 1.00 0.00 WT2 H ATOM 30331 OH2 TIP3 3495 -3.791 1.279 -4.081 1.00 0.00 WT2 O ATOM 30332 H1 TIP3 3495 10.470 5.898 -8.384 1.00 0.00 WT2 H ATOM 30333 H2 TIP3 3495 -34.900 -7.817 5.979 1.00 0.00 WT2 H ATOM 30334 OH2 TIP3 3508 0.076 2.335 -2.130 1.00 0.00 WT2 O ATOM 30335 H1 TIP3 3508 24.405 -5.047 9.841 1.00 0.00 WT2 H ATOM 30336 H2 TIP3 3508 -18.437 -7.654 15.990 1.00 0.00 WT2 H ATOM 30337 OH2 TIP3 3510 -4.648 -8.831 3.277 1.00 0.00 WT2 O ATOM 30338 H1 TIP3 3510 -2.952 -9.573 2.294 1.00 0.00 WT2 H ATOM 30339 H2 TIP3 3510 0.173 -11.837 1.730 1.00 0.00 WT2 H ATOM 30340 OH2 TIP3 3511 -9.712 -3.858 -5.934 1.00 0.00 WT2 O ATOM 30341 H1 TIP3 3511 12.639 -14.676 -1.331 1.00 0.00 WT2 H ATOM 30342 H2 TIP3 3511 -4.282 12.873 0.500 1.00 0.00 WT2 H ATOM 30343 OH2 TIP3 3512 -0.751 6.412 -5.012 1.00 0.00 WT2 O ATOM 30344 H1 TIP3 3512 -0.079 10.901 -7.872 1.00 0.00 WT2 H ATOM 30345 H2 TIP3 3512 -5.104 4.189 -6.749 1.00 0.00 WT2 H ATOM 30346 OH2 TIP3 3513 0.096 -3.302 2.569 1.00 0.00 WT2 O ATOM 30347 H1 TIP3 3513 3.366 7.478 -6.410 1.00 0.00 WT2 H ATOM 30348 H2 TIP3 3513 -7.315 -4.427 0.707 1.00 0.00 WT2 H ATOM 30349 OH2 TIP3 3514 5.211 0.853 -5.951 1.00 0.00 WT2 O ATOM 30350 H1 TIP3 3514 0.327 4.004 -4.569 1.00 0.00 WT2 H ATOM 30351 H2 TIP3 3514 7.256 1.570 -0.448 1.00 0.00 WT2 H ATOM 30352 OH2 TIP3 3516 6.273 4.958 0.864 1.00 0.00 WT2 O ATOM 30353 H1 TIP3 3516 12.532 8.850 27.193 1.00 0.00 WT2 H ATOM 30354 H2 TIP3 3516 -2.919 -0.422 -2.144 1.00 0.00 WT2 H ATOM 30355 OH2 TIP3 3526 1.212 0.054 -5.153 1.00 0.00 WT2 O ATOM 30356 H1 TIP3 3526 -4.765 -10.523 7.720 1.00 0.00 WT2 H ATOM 30357 H2 TIP3 3526 -25.390 -10.821 -5.452 1.00 0.00 WT2 H ATOM 30358 OH2 TIP3 3527 -1.361 0.878 2.165 1.00 0.00 WT2 O ATOM 30359 H1 TIP3 3527 -1.086 2.338 -3.187 1.00 0.00 WT2 H ATOM 30360 H2 TIP3 3527 -14.694 3.003 25.089 1.00 0.00 WT2 H ATOM 30361 OH2 TIP3 3530 0.571 -3.100 4.062 1.00 0.00 WT2 O ATOM 30362 H1 TIP3 3530 -12.262 6.334 -4.617 1.00 0.00 WT2 H ATOM 30363 H2 TIP3 3530 3.367 -8.690 27.163 1.00 0.00 WT2 H ATOM 30364 OH2 TIP3 3531 -0.429 -6.866 1.656 1.00 0.00 WT2 O ATOM 30365 H1 TIP3 3531 8.403 27.367 -4.541 1.00 0.00 WT2 H ATOM 30366 H2 TIP3 3531 -24.214 -0.729 12.400 1.00 0.00 WT2 H ATOM 30367 OH2 TIP3 3533 -3.215 3.367 3.176 1.00 0.00 WT2 O ATOM 30368 H1 TIP3 3533 -12.144 2.746 -2.365 1.00 0.00 WT2 H ATOM 30369 H2 TIP3 3533 -19.786 -8.596 0.501 1.00 0.00 WT2 H ATOM 30370 OH2 TIP3 3534 -3.924 -1.546 2.715 1.00 0.00 WT2 O ATOM 30371 H1 TIP3 3534 4.589 -9.362 -6.988 1.00 0.00 WT2 H ATOM 30372 H2 TIP3 3534 -27.004 0.108 8.158 1.00 0.00 WT2 H ATOM 30373 OH2 TIP3 3535 0.888 -1.073 -5.072 1.00 0.00 WT2 O ATOM 30374 H1 TIP3 3535 -4.808 14.054 0.919 1.00 0.00 WT2 H ATOM 30375 H2 TIP3 3535 -1.750 -8.398 -3.073 1.00 0.00 WT2 H ATOM 30376 OH2 TIP3 3536 1.021 5.115 -2.863 1.00 0.00 WT2 O ATOM 30377 H1 TIP3 3536 4.215 13.585 -1.353 1.00 0.00 WT2 H ATOM 30378 H2 TIP3 3536 -9.465 -17.244 2.365 1.00 0.00 WT2 H ATOM 30379 OH2 TIP3 3545 -1.772 0.646 -4.119 1.00 0.00 WT2 O ATOM 30380 H1 TIP3 3545 -2.935 6.529 16.991 1.00 0.00 WT2 H ATOM 30381 H2 TIP3 3545 15.858 9.646 -10.620 1.00 0.00 WT2 H ATOM 30382 OH2 TIP3 3548 1.134 0.902 -1.822 1.00 0.00 WT2 O ATOM 30383 H1 TIP3 3548 3.127 11.506 1.128 1.00 0.00 WT2 H ATOM 30384 H2 TIP3 3548 7.888 4.163 -2.570 1.00 0.00 WT2 H ATOM 30385 OH2 TIP3 3549 -0.046 1.283 1.419 1.00 0.00 WT2 O ATOM 30386 H1 TIP3 3549 4.762 1.329 0.139 1.00 0.00 WT2 H ATOM 30387 H2 TIP3 3549 -0.214 -0.024 -0.660 1.00 0.00 WT2 H ATOM 30388 OH2 TIP3 3550 -2.214 5.549 0.887 1.00 0.00 WT2 O ATOM 30389 H1 TIP3 3550 -11.961 8.624 12.032 1.00 0.00 WT2 H ATOM 30390 H2 TIP3 3550 7.534 13.602 15.762 1.00 0.00 WT2 H ATOM 30391 OH2 TIP3 3551 -1.592 -1.039 -4.400 1.00 0.00 WT2 O ATOM 30392 H1 TIP3 3551 13.873 9.619 -12.751 1.00 0.00 WT2 H ATOM 30393 H2 TIP3 3551 -15.920 -4.685 -14.894 1.00 0.00 WT2 H ATOM 30394 OH2 TIP3 3554 1.177 3.289 3.453 1.00 0.00 WT2 O ATOM 30395 H1 TIP3 3554 3.620 -0.434 0.639 1.00 0.00 WT2 H ATOM 30396 H2 TIP3 3554 21.714 -22.664 4.848 1.00 0.00 WT2 H ATOM 30397 OH2 TIP3 3555 -0.166 4.283 0.056 1.00 0.00 WT2 O ATOM 30398 H1 TIP3 3555 -1.517 4.597 -7.715 1.00 0.00 WT2 H ATOM 30399 H2 TIP3 3555 5.156 -9.041 -4.562 1.00 0.00 WT2 H ATOM 30400 OH2 TIP3 3559 2.031 -4.586 1.437 1.00 0.00 WT2 O ATOM 30401 H1 TIP3 3559 6.695 2.089 -2.233 1.00 0.00 WT2 H ATOM 30402 H2 TIP3 3559 0.766 -6.874 4.655 1.00 0.00 WT2 H ATOM 30403 OH2 TIP3 3569 3.231 5.856 -0.590 1.00 0.00 WT2 O ATOM 30404 H1 TIP3 3569 3.839 10.412 7.386 1.00 0.00 WT2 H ATOM 30405 H2 TIP3 3569 3.814 -0.613 -11.188 1.00 0.00 WT2 H ATOM 30406 OH2 TIP3 3570 1.460 4.118 -0.757 1.00 0.00 WT2 O ATOM 30407 H1 TIP3 3570 32.340 39.744 -11.730 1.00 0.00 WT2 H ATOM 30408 H2 TIP3 3570 -14.540 9.754 27.542 1.00 0.00 WT2 H ATOM 30409 OH2 TIP3 3572 1.997 5.204 -0.265 1.00 0.00 WT2 O ATOM 30410 H1 TIP3 3572 3.904 4.573 18.123 1.00 0.00 WT2 H ATOM 30411 H2 TIP3 3572 1.522 6.968 -26.192 1.00 0.00 WT2 H ATOM 30412 OH2 TIP3 3573 -1.295 -4.645 -1.288 1.00 0.00 WT2 O ATOM 30413 H1 TIP3 3573 4.932 -8.842 6.517 1.00 0.00 WT2 H ATOM 30414 H2 TIP3 3573 -7.788 -10.860 -11.722 1.00 0.00 WT2 H ATOM 30415 OH2 TIP3 3574 9.712 4.176 -2.208 1.00 0.00 WT2 O ATOM 30416 H1 TIP3 3574 8.281 3.799 -22.555 1.00 0.00 WT2 H ATOM 30417 H2 TIP3 3574 18.603 -2.249 16.482 1.00 0.00 WT2 H ATOM 30418 OH2 TIP3 3575 4.880 -2.684 -1.456 1.00 0.00 WT2 O ATOM 30419 H1 TIP3 3575 -2.371 -0.671 9.295 1.00 0.00 WT2 H ATOM 30420 H2 TIP3 3575 15.561 -17.777 -13.523 1.00 0.00 WT2 H ATOM 30421 OH2 TIP3 3591 0.667 -0.154 -0.458 1.00 0.00 WT2 O ATOM 30422 H1 TIP3 3591 11.403 -5.133 -5.775 1.00 0.00 WT2 H ATOM 30423 H2 TIP3 3591 -0.501 5.293 1.153 1.00 0.00 WT2 H ATOM 30424 OH2 TIP3 3593 0.158 -6.019 -2.089 1.00 0.00 WT2 O ATOM 30425 H1 TIP3 3593 -5.073 2.691 -7.649 1.00 0.00 WT2 H ATOM 30426 H2 TIP3 3593 9.014 -13.840 -7.979 1.00 0.00 WT2 H ATOM 30427 OH2 TIP3 3594 -2.974 -3.201 -2.365 1.00 0.00 WT2 O ATOM 30428 H1 TIP3 3594 2.565 -9.670 11.243 1.00 0.00 WT2 H ATOM 30429 H2 TIP3 3594 -14.353 -9.156 5.757 1.00 0.00 WT2 H ATOM 30430 OH2 TIP3 3595 -2.871 -2.721 -0.775 1.00 0.00 WT2 O ATOM 30431 H1 TIP3 3595 -7.697 -3.100 -14.927 1.00 0.00 WT2 H ATOM 30432 H2 TIP3 3595 10.228 2.839 -1.220 1.00 0.00 WT2 H ATOM 30433 OH2 TIP3 3596 -3.834 -5.361 -1.005 1.00 0.00 WT2 O ATOM 30434 H1 TIP3 3596 -12.527 -1.965 16.789 1.00 0.00 WT2 H ATOM 30435 H2 TIP3 3596 -10.990 -22.854 -8.320 1.00 0.00 WT2 H ATOM 30436 OH2 TIP3 3597 0.799 1.924 -3.682 1.00 0.00 WT2 O ATOM 30437 H1 TIP3 3597 2.973 0.661 -5.576 1.00 0.00 WT2 H ATOM 30438 H2 TIP3 3597 -3.350 3.919 -2.052 1.00 0.00 WT2 H ATOM 30439 OH2 TIP3 3599 -1.319 -1.709 -4.545 1.00 0.00 WT2 O ATOM 30440 H1 TIP3 3599 -3.624 17.638 -7.725 1.00 0.00 WT2 H ATOM 30441 H2 TIP3 3599 -6.464 33.157 -15.869 1.00 0.00 WT2 H ATOM 30442 OH2 TIP3 3612 1.047 0.534 1.806 1.00 0.00 WT2 O ATOM 30443 H1 TIP3 3612 6.038 -0.676 -2.818 1.00 0.00 WT2 H ATOM 30444 H2 TIP3 3612 2.514 -14.948 0.700 1.00 0.00 WT2 H ATOM 30445 OH2 TIP3 3614 3.407 0.477 -1.073 1.00 0.00 WT2 O ATOM 30446 H1 TIP3 3614 17.638 -3.118 -9.131 1.00 0.00 WT2 H ATOM 30447 H2 TIP3 3614 -6.769 2.159 -2.371 1.00 0.00 WT2 H ATOM 30448 OH2 TIP3 3615 -2.788 -0.795 5.553 1.00 0.00 WT2 O ATOM 30449 H1 TIP3 3615 16.285 -7.765 -11.315 1.00 0.00 WT2 H ATOM 30450 H2 TIP3 3615 6.321 9.044 11.018 1.00 0.00 WT2 H ATOM 30451 OH2 TIP3 3619 -0.240 -0.782 2.644 1.00 0.00 WT2 O ATOM 30452 H1 TIP3 3619 -3.383 4.686 27.717 1.00 0.00 WT2 H ATOM 30453 H2 TIP3 3619 -12.078 -2.987 4.979 1.00 0.00 WT2 H ATOM 30454 OH2 TIP3 3623 -2.923 5.496 5.236 1.00 0.00 WT2 O ATOM 30455 H1 TIP3 3623 14.748 -3.761 -0.945 1.00 0.00 WT2 H ATOM 30456 H2 TIP3 3623 -4.813 4.421 0.238 1.00 0.00 WT2 H ATOM 30457 OH2 TIP3 3633 -3.664 -3.190 -3.121 1.00 0.00 WT2 O ATOM 30458 H1 TIP3 3633 -15.941 20.481 2.278 1.00 0.00 WT2 H ATOM 30459 H2 TIP3 3633 -2.958 7.703 -7.486 1.00 0.00 WT2 H ATOM 30460 OH2 TIP3 3634 1.817 -0.539 -3.969 1.00 0.00 WT2 O ATOM 30461 H1 TIP3 3634 4.781 -0.608 20.999 1.00 0.00 WT2 H ATOM 30462 H2 TIP3 3634 7.700 1.293 39.511 1.00 0.00 WT2 H ATOM 30463 OH2 TIP3 3636 -9.633 -1.282 2.517 1.00 0.00 WT2 O ATOM 30464 H1 TIP3 3636 -6.700 -5.165 6.352 1.00 0.00 WT2 H ATOM 30465 H2 TIP3 3636 -4.742 11.344 9.317 1.00 0.00 WT2 H ATOM 30466 OH2 TIP3 3638 0.375 2.300 -0.873 1.00 0.00 WT2 O ATOM 30467 H1 TIP3 3638 9.941 -9.860 2.840 1.00 0.00 WT2 H ATOM 30468 H2 TIP3 3638 9.005 7.686 -9.834 1.00 0.00 WT2 H ATOM 30469 OH2 TIP3 3639 1.861 0.068 0.536 1.00 0.00 WT2 O ATOM 30470 H1 TIP3 3639 4.690 7.238 7.943 1.00 0.00 WT2 H ATOM 30471 H2 TIP3 3639 -6.064 -19.887 -7.087 1.00 0.00 WT2 H ATOM 30472 OH2 TIP3 3641 -5.406 1.304 -0.274 1.00 0.00 WT2 O ATOM 30473 H1 TIP3 3641 -5.781 9.267 27.067 1.00 0.00 WT2 H ATOM 30474 H2 TIP3 3641 -1.030 9.694 -12.837 1.00 0.00 WT2 H ATOM 30475 OH2 TIP3 3650 2.147 0.072 4.114 1.00 0.00 WT2 O ATOM 30476 H1 TIP3 3650 14.062 -3.820 6.965 1.00 0.00 WT2 H ATOM 30477 H2 TIP3 3650 5.603 -5.754 6.957 1.00 0.00 WT2 H ATOM 30478 OH2 TIP3 3651 2.818 -4.328 -3.251 1.00 0.00 WT2 O ATOM 30479 H1 TIP3 3651 13.579 -2.452 11.487 1.00 0.00 WT2 H ATOM 30480 H2 TIP3 3651 13.809 40.794 13.218 1.00 0.00 WT2 H ATOM 30481 OH2 TIP3 3653 -1.932 -6.234 -6.358 1.00 0.00 WT2 O ATOM 30482 H1 TIP3 3653 -29.283 -8.015 -20.347 1.00 0.00 WT2 H ATOM 30483 H2 TIP3 3653 -40.307 -8.406 -25.843 1.00 0.00 WT2 H ATOM 30484 OH2 TIP3 3659 -1.809 5.086 2.986 1.00 0.00 WT2 O ATOM 30485 H1 TIP3 3659 20.963 6.627 10.635 1.00 0.00 WT2 H ATOM 30486 H2 TIP3 3659 -0.302 8.391 -5.530 1.00 0.00 WT2 H ATOM 30487 OH2 TIP3 3660 -4.808 4.210 3.180 1.00 0.00 WT2 O ATOM 30488 H1 TIP3 3660 -4.351 2.288 0.216 1.00 0.00 WT2 H ATOM 30489 H2 TIP3 3660 -9.625 9.275 9.696 1.00 0.00 WT2 H ATOM 30490 OH2 TIP3 3661 2.945 -5.181 -4.819 1.00 0.00 WT2 O ATOM 30491 H1 TIP3 3661 -0.800 4.211 -5.585 1.00 0.00 WT2 H ATOM 30492 H2 TIP3 3661 14.196 -15.465 -1.904 1.00 0.00 WT2 H ATOM 30493 OH2 TIP3 3662 2.951 -4.162 -5.102 1.00 0.00 WT2 O ATOM 30494 H1 TIP3 3662 -0.675 10.811 -12.152 1.00 0.00 WT2 H ATOM 30495 H2 TIP3 3662 -2.876 -14.287 -13.984 1.00 0.00 WT2 H ATOM 30496 OH2 TIP3 3674 -6.792 -4.864 1.476 1.00 0.00 WT2 O ATOM 30497 H1 TIP3 3674 5.339 -16.314 -0.126 1.00 0.00 WT2 H ATOM 30498 H2 TIP3 3674 -2.277 13.756 6.721 1.00 0.00 WT2 H ATOM 30499 OH2 TIP3 3675 1.990 -4.594 -2.333 1.00 0.00 WT2 O ATOM 30500 H1 TIP3 3675 3.341 -13.207 -1.771 1.00 0.00 WT2 H ATOM 30501 H2 TIP3 3675 5.047 -2.580 7.580 1.00 0.00 WT2 H ATOM 30502 OH2 TIP3 3677 4.039 2.916 -3.811 1.00 0.00 WT2 O ATOM 30503 H1 TIP3 3677 17.739 -2.545 -5.155 1.00 0.00 WT2 H ATOM 30504 H2 TIP3 3677 -7.539 10.656 -16.051 1.00 0.00 WT2 H ATOM 30505 OH2 TIP3 3681 -4.812 0.884 -2.991 1.00 0.00 WT2 O ATOM 30506 H1 TIP3 3681 -14.870 -8.797 -1.167 1.00 0.00 WT2 H ATOM 30507 H2 TIP3 3681 9.016 8.345 -0.161 1.00 0.00 WT2 H ATOM 30508 OH2 TIP3 3693 4.767 -2.662 5.824 1.00 0.00 WT2 O ATOM 30509 H1 TIP3 3693 1.314 -10.483 -10.558 1.00 0.00 WT2 H ATOM 30510 H2 TIP3 3693 3.479 12.077 13.302 1.00 0.00 WT2 H ATOM 30511 OH2 TIP3 3697 -3.243 -4.839 2.281 1.00 0.00 WT2 O ATOM 30512 H1 TIP3 3697 -3.258 -5.034 11.170 1.00 0.00 WT2 H ATOM 30513 H2 TIP3 3697 -6.606 -12.012 -1.878 1.00 0.00 WT2 H ATOM 30514 OH2 TIP3 3698 2.586 -2.719 -2.097 1.00 0.00 WT2 O ATOM 30515 H1 TIP3 3698 4.140 -9.746 17.806 1.00 0.00 WT2 H ATOM 30516 H2 TIP3 3698 -20.997 7.446 8.562 1.00 0.00 WT2 H ATOM 30517 OH2 TIP3 3700 -8.047 5.114 6.716 1.00 0.00 WT2 O ATOM 30518 H1 TIP3 3700 -30.890 -13.223 -9.395 1.00 0.00 WT2 H ATOM 30519 H2 TIP3 3700 2.389 -3.862 -5.328 1.00 0.00 WT2 H ATOM 30520 OH2 TIP3 3701 -0.767 -3.541 6.109 1.00 0.00 WT2 O ATOM 30521 H1 TIP3 3701 -15.853 -4.542 11.847 1.00 0.00 WT2 H ATOM 30522 H2 TIP3 3701 -2.271 12.036 -2.787 1.00 0.00 WT2 H ATOM 30523 OH2 TIP3 3702 -2.045 -1.561 -3.130 1.00 0.00 WT2 O ATOM 30524 H1 TIP3 3702 -5.543 -6.249 -0.305 1.00 0.00 WT2 H ATOM 30525 H2 TIP3 3702 -0.995 -4.684 -7.527 1.00 0.00 WT2 H ATOM 30526 OH2 TIP3 3703 2.206 0.279 -1.374 1.00 0.00 WT2 O ATOM 30527 H1 TIP3 3703 2.366 3.472 -10.748 1.00 0.00 WT2 H ATOM 30528 H2 TIP3 3703 -9.599 3.241 3.789 1.00 0.00 WT2 H ATOM 30529 OH2 TIP3 3705 -7.803 0.291 -5.511 1.00 0.00 WT2 O ATOM 30530 H1 TIP3 3705 14.420 -1.969 10.683 1.00 0.00 WT2 H ATOM 30531 H2 TIP3 3705 0.300 -2.594 15.404 1.00 0.00 WT2 H ATOM 30532 OH2 TIP3 3708 -2.392 4.652 -1.965 1.00 0.00 WT2 O ATOM 30533 H1 TIP3 3708 2.450 3.529 7.592 1.00 0.00 WT2 H ATOM 30534 H2 TIP3 3708 -3.632 7.837 0.119 1.00 0.00 WT2 H ATOM 30535 OH2 TIP3 3718 0.577 -7.889 3.640 1.00 0.00 WT2 O ATOM 30536 H1 TIP3 3718 2.735 16.882 6.781 1.00 0.00 WT2 H ATOM 30537 H2 TIP3 3718 -27.498 -33.368 18.146 1.00 0.00 WT2 H ATOM 30538 OH2 TIP3 3719 -2.453 4.972 -0.488 1.00 0.00 WT2 O ATOM 30539 H1 TIP3 3719 -2.949 15.927 0.686 1.00 0.00 WT2 H ATOM 30540 H2 TIP3 3719 -5.798 0.851 -3.664 1.00 0.00 WT2 H ATOM 30541 OH2 TIP3 3720 -1.173 -6.553 -3.528 1.00 0.00 WT2 O ATOM 30542 H1 TIP3 3720 -9.282 -10.190 -7.919 1.00 0.00 WT2 H ATOM 30543 H2 TIP3 3720 -3.393 -3.999 -3.436 1.00 0.00 WT2 H ATOM 30544 OH2 TIP3 3721 -6.155 2.457 0.240 1.00 0.00 WT2 O ATOM 30545 H1 TIP3 3721 -18.746 -2.947 -5.439 1.00 0.00 WT2 H ATOM 30546 H2 TIP3 3721 -3.649 -10.604 -4.017 1.00 0.00 WT2 H ATOM 30547 OH2 TIP3 3722 4.058 -1.366 -3.713 1.00 0.00 WT2 O ATOM 30548 H1 TIP3 3722 28.486 10.495 -16.910 1.00 0.00 WT2 H ATOM 30549 H2 TIP3 3722 -9.330 -6.503 -0.763 1.00 0.00 WT2 H ATOM 30550 OH2 TIP3 3723 0.650 0.028 3.028 1.00 0.00 WT2 O ATOM 30551 H1 TIP3 3723 13.979 -13.835 1.419 1.00 0.00 WT2 H ATOM 30552 H2 TIP3 3723 -7.998 5.687 -18.544 1.00 0.00 WT2 H ATOM 30553 OH2 TIP3 3727 1.573 0.946 -4.724 1.00 0.00 WT2 O ATOM 30554 H1 TIP3 3727 -9.741 -9.363 -14.336 1.00 0.00 WT2 H ATOM 30555 H2 TIP3 3727 4.947 -12.126 6.351 1.00 0.00 WT2 H ATOM 30556 OH2 TIP3 3737 0.035 -8.934 -2.017 1.00 0.00 WT2 O ATOM 30557 H1 TIP3 3737 33.875 -0.562 -15.025 1.00 0.00 WT2 H ATOM 30558 H2 TIP3 3737 19.929 4.040 -17.961 1.00 0.00 WT2 H ATOM 30559 OH2 TIP3 3740 -2.056 -1.092 -1.097 1.00 0.00 WT2 O ATOM 30560 H1 TIP3 3740 8.330 12.679 -0.607 1.00 0.00 WT2 H ATOM 30561 H2 TIP3 3740 3.132 1.155 -31.617 1.00 0.00 WT2 H ATOM 30562 OH2 TIP3 3743 -3.441 2.733 -2.069 1.00 0.00 WT2 O ATOM 30563 H1 TIP3 3743 5.766 -19.786 -6.677 1.00 0.00 WT2 H ATOM 30564 H2 TIP3 3743 -9.473 2.409 13.744 1.00 0.00 WT2 H ATOM 30565 OH2 TIP3 3757 0.071 -2.078 -4.104 1.00 0.00 WT2 O ATOM 30566 H1 TIP3 3757 0.617 2.879 -16.589 1.00 0.00 WT2 H ATOM 30567 H2 TIP3 3757 15.541 -24.464 -39.491 1.00 0.00 WT2 H ATOM 30568 OH2 TIP3 3758 1.312 -3.154 -7.994 1.00 0.00 WT2 O ATOM 30569 H1 TIP3 3758 20.270 10.052 -7.520 1.00 0.00 WT2 H ATOM 30570 H2 TIP3 3758 -2.182 -17.360 12.112 1.00 0.00 WT2 H ATOM 30571 OH2 TIP3 3761 1.881 -2.337 7.887 1.00 0.00 WT2 O ATOM 30572 H1 TIP3 3761 5.270 2.643 17.102 1.00 0.00 WT2 H ATOM 30573 H2 TIP3 3761 2.746 0.576 12.623 1.00 0.00 WT2 H ATOM 30574 OH2 TIP3 3762 -2.403 2.761 8.089 1.00 0.00 WT2 O ATOM 30575 H1 TIP3 3762 -8.356 -10.353 -4.342 1.00 0.00 WT2 H ATOM 30576 H2 TIP3 3762 -24.287 7.540 7.493 1.00 0.00 WT2 H ATOM 30577 OH2 TIP3 3763 6.041 -5.222 2.673 1.00 0.00 WT2 O ATOM 30578 H1 TIP3 3763 9.015 -7.873 -0.772 1.00 0.00 WT2 H ATOM 30579 H2 TIP3 3763 22.361 33.093 -9.117 1.00 0.00 WT2 H ATOM 30580 OH2 TIP3 3764 1.355 0.510 5.830 1.00 0.00 WT2 O ATOM 30581 H1 TIP3 3764 13.347 -24.957 -13.079 1.00 0.00 WT2 H ATOM 30582 H2 TIP3 3764 19.617 -28.798 -3.325 1.00 0.00 WT2 H ATOM 30583 OH2 TIP3 3765 1.098 -5.372 -2.765 1.00 0.00 WT2 O ATOM 30584 H1 TIP3 3765 6.689 -0.297 3.345 1.00 0.00 WT2 H ATOM 30585 H2 TIP3 3765 -9.086 -10.314 -11.592 1.00 0.00 WT2 H ATOM 30586 OH2 TIP3 3770 -1.920 6.175 2.096 1.00 0.00 WT2 O ATOM 30587 H1 TIP3 3770 8.494 -2.414 3.414 1.00 0.00 WT2 H ATOM 30588 H2 TIP3 3770 -10.178 15.595 -13.330 1.00 0.00 WT2 H ATOM 30589 OH2 TIP3 3776 0.031 -4.996 -1.906 1.00 0.00 WT2 O ATOM 30590 H1 TIP3 3776 1.095 -5.150 -2.727 1.00 0.00 WT2 H ATOM 30591 H2 TIP3 3776 11.447 -11.672 -10.881 1.00 0.00 WT2 H ATOM 30592 OH2 TIP3 3779 1.302 1.320 -3.064 1.00 0.00 WT2 O ATOM 30593 H1 TIP3 3779 -0.441 -2.437 -2.189 1.00 0.00 WT2 H ATOM 30594 H2 TIP3 3779 -7.373 -2.140 -19.654 1.00 0.00 WT2 H ATOM 30595 OH2 TIP3 3783 -1.749 6.059 15.393 1.00 0.00 WT2 O ATOM 30596 H1 TIP3 3783 8.497 0.026 13.037 1.00 0.00 WT2 H ATOM 30597 H2 TIP3 3783 1.098 20.584 1.835 1.00 0.00 WT2 H ATOM 30598 OH2 TIP3 3784 -1.440 1.908 2.984 1.00 0.00 WT2 O ATOM 30599 H1 TIP3 3784 -4.603 1.840 0.043 1.00 0.00 WT2 H ATOM 30600 H2 TIP3 3784 5.728 -17.815 15.421 1.00 0.00 WT2 H ATOM 30601 OH2 TIP3 3785 0.498 5.015 1.285 1.00 0.00 WT2 O ATOM 30602 H1 TIP3 3785 12.568 -2.429 -9.345 1.00 0.00 WT2 H ATOM 30603 H2 TIP3 3785 -1.268 4.582 5.297 1.00 0.00 WT2 H ATOM 30604 OH2 TIP3 3786 -2.890 -5.658 4.451 1.00 0.00 WT2 O ATOM 30605 H1 TIP3 3786 -13.362 4.821 -16.741 1.00 0.00 WT2 H ATOM 30606 H2 TIP3 3786 -4.924 5.220 20.242 1.00 0.00 WT2 H ATOM 30607 OH2 TIP3 3798 2.259 2.138 3.503 1.00 0.00 WT2 O ATOM 30608 H1 TIP3 3798 -10.241 0.156 2.121 1.00 0.00 WT2 H ATOM 30609 H2 TIP3 3798 5.730 1.516 0.638 1.00 0.00 WT2 H ATOM 30610 OH2 TIP3 3800 3.404 -2.942 -4.648 1.00 0.00 WT2 O ATOM 30611 H1 TIP3 3800 2.096 -2.731 -2.504 1.00 0.00 WT2 H ATOM 30612 H2 TIP3 3800 14.679 3.740 3.073 1.00 0.00 WT2 H ATOM 30613 OH2 TIP3 3801 -3.223 1.721 -4.156 1.00 0.00 WT2 O ATOM 30614 H1 TIP3 3801 -4.282 0.693 -10.418 1.00 0.00 WT2 H ATOM 30615 H2 TIP3 3801 2.077 7.183 -2.984 1.00 0.00 WT2 H ATOM 30616 OH2 TIP3 3802 1.693 0.471 -6.351 1.00 0.00 WT2 O ATOM 30617 H1 TIP3 3802 -5.676 6.348 -5.446 1.00 0.00 WT2 H ATOM 30618 H2 TIP3 3802 -1.215 -6.311 -11.525 1.00 0.00 WT2 H ATOM 30619 OH2 TIP3 3804 -5.717 -9.385 4.820 1.00 0.00 WT2 O ATOM 30620 H1 TIP3 3804 -0.691 -3.354 3.012 1.00 0.00 WT2 H ATOM 30621 H2 TIP3 3804 -2.224 22.766 -3.082 1.00 0.00 WT2 H ATOM 30622 OH2 TIP3 3805 -1.927 -5.715 -3.893 1.00 0.00 WT2 O ATOM 30623 H1 TIP3 3805 2.750 4.316 -27.848 1.00 0.00 WT2 H ATOM 30624 H2 TIP3 3805 -22.646 2.468 -10.594 1.00 0.00 WT2 H ATOM 30625 OH2 TIP3 3806 -3.993 -1.015 -1.519 1.00 0.00 WT2 O ATOM 30626 H1 TIP3 3806 -11.327 -2.641 -4.015 1.00 0.00 WT2 H ATOM 30627 H2 TIP3 3806 5.962 1.821 -11.477 1.00 0.00 WT2 H ATOM 30628 OH2 TIP3 3807 0.590 -6.529 -0.973 1.00 0.00 WT2 O ATOM 30629 H1 TIP3 3807 -3.462 -6.584 -0.691 1.00 0.00 WT2 H ATOM 30630 H2 TIP3 3807 -7.695 -13.357 3.390 1.00 0.00 WT2 H ATOM 30631 OH2 TIP3 3808 -2.325 -1.036 2.407 1.00 0.00 WT2 O ATOM 30632 H1 TIP3 3808 1.167 7.498 -15.176 1.00 0.00 WT2 H ATOM 30633 H2 TIP3 3808 -15.646 10.657 7.654 1.00 0.00 WT2 H ATOM 30634 OH2 TIP3 3809 5.745 -2.028 -7.193 1.00 0.00 WT2 O ATOM 30635 H1 TIP3 3809 16.510 3.299 -9.578 1.00 0.00 WT2 H ATOM 30636 H2 TIP3 3809 -2.060 8.160 -11.483 1.00 0.00 WT2 H ATOM 30637 OH2 TIP3 3821 -0.840 6.286 2.902 1.00 0.00 WT2 O ATOM 30638 H1 TIP3 3821 6.012 6.120 -3.992 1.00 0.00 WT2 H ATOM 30639 H2 TIP3 3821 -25.153 13.587 -25.874 1.00 0.00 WT2 H ATOM 30640 OH2 TIP3 3823 -1.344 -0.435 -2.594 1.00 0.00 WT2 O ATOM 30641 H1 TIP3 3823 6.601 4.296 -5.637 1.00 0.00 WT2 H ATOM 30642 H2 TIP3 3823 -6.581 -16.228 -3.482 1.00 0.00 WT2 H ATOM 30643 OH2 TIP3 3826 2.928 2.366 -1.124 1.00 0.00 WT2 O ATOM 30644 H1 TIP3 3826 0.849 4.590 7.050 1.00 0.00 WT2 H ATOM 30645 H2 TIP3 3826 2.558 21.815 23.092 1.00 0.00 WT2 H ATOM 30646 OH2 TIP3 3827 5.103 -6.027 -2.234 1.00 0.00 WT2 O ATOM 30647 H1 TIP3 3827 -4.302 -5.406 -5.022 1.00 0.00 WT2 H ATOM 30648 H2 TIP3 3827 -10.092 3.529 6.797 1.00 0.00 WT2 H ATOM 30649 OH2 TIP3 3828 -2.858 -0.175 3.479 1.00 0.00 WT2 O ATOM 30650 H1 TIP3 3828 9.595 -9.088 0.944 1.00 0.00 WT2 H ATOM 30651 H2 TIP3 3828 -8.179 -1.785 39.516 1.00 0.00 WT2 H ATOM 30652 OH2 TIP3 3829 4.604 -1.662 -2.735 1.00 0.00 WT2 O ATOM 30653 H1 TIP3 3829 7.839 -3.243 -9.201 1.00 0.00 WT2 H ATOM 30654 H2 TIP3 3829 1.949 7.212 2.655 1.00 0.00 WT2 H ATOM 30655 OH2 TIP3 3845 9.899 -0.167 -1.920 1.00 0.00 WT2 O ATOM 30656 H1 TIP3 3845 -8.200 0.228 -7.726 1.00 0.00 WT2 H ATOM 30657 H2 TIP3 3845 11.168 -5.060 12.659 1.00 0.00 WT2 H ATOM 30658 OH2 TIP3 3846 0.540 6.203 -0.544 1.00 0.00 WT2 O ATOM 30659 H1 TIP3 3846 2.189 19.969 -25.814 1.00 0.00 WT2 H ATOM 30660 H2 TIP3 3846 -13.627 29.709 4.714 1.00 0.00 WT2 H ATOM 30661 OH2 TIP3 3847 4.238 -5.646 0.549 1.00 0.00 WT2 O ATOM 30662 H1 TIP3 3847 -4.113 0.631 -22.350 1.00 0.00 WT2 H ATOM 30663 H2 TIP3 3847 -8.691 -37.277 10.391 1.00 0.00 WT2 H ATOM 30664 OH2 TIP3 3848 -2.262 1.683 -5.297 1.00 0.00 WT2 O ATOM 30665 H1 TIP3 3848 11.379 -0.031 1.478 1.00 0.00 WT2 H ATOM 30666 H2 TIP3 3848 -3.311 -1.283 4.978 1.00 0.00 WT2 H ATOM 30667 OH2 TIP3 3849 5.807 0.359 -2.733 1.00 0.00 WT2 O ATOM 30668 H1 TIP3 3849 -2.900 -9.034 1.471 1.00 0.00 WT2 H ATOM 30669 H2 TIP3 3849 -2.490 -12.102 7.629 1.00 0.00 WT2 H ATOM 30670 OH2 TIP3 3853 -1.462 -4.500 0.766 1.00 0.00 WT2 O ATOM 30671 H1 TIP3 3853 -3.874 -0.634 9.162 1.00 0.00 WT2 H ATOM 30672 H2 TIP3 3853 3.547 -2.066 -0.164 1.00 0.00 WT2 H ATOM 30673 OH2 TIP3 3863 -1.663 5.349 -2.916 1.00 0.00 WT2 O ATOM 30674 H1 TIP3 3863 -19.314 13.428 22.470 1.00 0.00 WT2 H ATOM 30675 H2 TIP3 3863 17.748 21.697 6.955 1.00 0.00 WT2 H ATOM 30676 OH2 TIP3 3867 -2.059 -5.404 5.305 1.00 0.00 WT2 O ATOM 30677 H1 TIP3 3867 8.940 6.459 11.467 1.00 0.00 WT2 H ATOM 30678 H2 TIP3 3867 14.196 2.847 -13.217 1.00 0.00 WT2 H ATOM 30679 OH2 TIP3 3868 1.332 -6.324 -0.944 1.00 0.00 WT2 O ATOM 30680 H1 TIP3 3868 -1.593 16.666 -3.224 1.00 0.00 WT2 H ATOM 30681 H2 TIP3 3868 -12.635 -5.833 -4.318 1.00 0.00 WT2 H ATOM 30682 OH2 TIP3 3869 7.141 -2.596 -0.238 1.00 0.00 WT2 O ATOM 30683 H1 TIP3 3869 16.709 1.128 22.657 1.00 0.00 WT2 H ATOM 30684 H2 TIP3 3869 -6.639 17.936 -6.270 1.00 0.00 WT2 H ATOM 30685 OH2 TIP3 3873 -6.560 0.131 -1.626 1.00 0.00 WT2 O ATOM 30686 H1 TIP3 3873 1.075 -18.132 -9.414 1.00 0.00 WT2 H ATOM 30687 H2 TIP3 3873 28.933 21.362 -19.858 1.00 0.00 WT2 H ATOM 30688 OH2 TIP3 3875 -2.242 -1.929 -0.590 1.00 0.00 WT2 O ATOM 30689 H1 TIP3 3875 28.290 -22.786 25.686 1.00 0.00 WT2 H ATOM 30690 H2 TIP3 3875 12.709 -4.282 7.893 1.00 0.00 WT2 H ATOM 30691 OH2 TIP3 3882 -5.491 -9.543 6.756 1.00 0.00 WT2 O ATOM 30692 H1 TIP3 3882 9.426 4.578 19.479 1.00 0.00 WT2 H ATOM 30693 H2 TIP3 3882 -2.031 -6.915 9.812 1.00 0.00 WT2 H ATOM 30694 OH2 TIP3 3886 -4.322 1.188 -2.801 1.00 0.00 WT2 O ATOM 30695 H1 TIP3 3886 29.107 21.226 -15.812 1.00 0.00 WT2 H ATOM 30696 H2 TIP3 3886 0.909 2.580 -3.134 1.00 0.00 WT2 H ATOM 30697 OH2 TIP3 3888 1.204 -3.723 -0.727 1.00 0.00 WT2 O ATOM 30698 H1 TIP3 3888 2.649 6.048 -29.959 1.00 0.00 WT2 H ATOM 30699 H2 TIP3 3888 -10.242 -0.342 18.776 1.00 0.00 WT2 H ATOM 30700 OH2 TIP3 3889 5.396 6.583 0.533 1.00 0.00 WT2 O ATOM 30701 H1 TIP3 3889 29.229 24.215 10.190 1.00 0.00 WT2 H ATOM 30702 H2 TIP3 3889 16.134 13.809 18.725 1.00 0.00 WT2 H ATOM 30703 OH2 TIP3 3891 1.741 -2.020 -7.807 1.00 0.00 WT2 O ATOM 30704 H1 TIP3 3891 11.971 7.800 -16.088 1.00 0.00 WT2 H ATOM 30705 H2 TIP3 3891 9.490 20.941 -14.654 1.00 0.00 WT2 H ATOM 30706 OH2 TIP3 3892 -1.782 3.919 7.306 1.00 0.00 WT2 O ATOM 30707 H1 TIP3 3892 11.958 12.529 -18.118 1.00 0.00 WT2 H ATOM 30708 H2 TIP3 3892 -13.057 -2.557 4.647 1.00 0.00 WT2 H ATOM 30709 OH2 TIP3 3907 -0.643 -0.755 3.194 1.00 0.00 WT2 O ATOM 30710 H1 TIP3 3907 1.713 -5.588 12.869 1.00 0.00 WT2 H ATOM 30711 H2 TIP3 3907 6.781 -16.447 35.818 1.00 0.00 WT2 H ATOM 30712 OH2 TIP3 3909 2.219 2.495 -6.139 1.00 0.00 WT2 O ATOM 30713 H1 TIP3 3909 -1.306 8.583 -10.258 1.00 0.00 WT2 H ATOM 30714 H2 TIP3 3909 8.458 12.767 -0.429 1.00 0.00 WT2 H ATOM 30715 OH2 TIP3 3911 3.131 0.412 1.943 1.00 0.00 WT2 O ATOM 30716 H1 TIP3 3911 -5.546 -13.641 -4.634 1.00 0.00 WT2 H ATOM 30717 H2 TIP3 3911 13.990 -3.913 20.522 1.00 0.00 WT2 H ATOM 30718 OH2 TIP3 3912 -3.573 -1.094 0.786 1.00 0.00 WT2 O ATOM 30719 H1 TIP3 3912 11.322 -3.413 -8.074 1.00 0.00 WT2 H ATOM 30720 H2 TIP3 3912 -9.143 5.563 11.594 1.00 0.00 WT2 H ATOM 30721 OH2 TIP3 3925 0.971 2.324 2.755 1.00 0.00 WT2 O ATOM 30722 H1 TIP3 3925 3.746 9.459 -17.351 1.00 0.00 WT2 H ATOM 30723 H2 TIP3 3925 4.308 9.389 9.648 1.00 0.00 WT2 H ATOM 30724 OH2 TIP3 3928 4.550 5.177 5.166 1.00 0.00 WT2 O ATOM 30725 H1 TIP3 3928 17.610 -1.838 1.355 1.00 0.00 WT2 H ATOM 30726 H2 TIP3 3928 -3.143 7.037 3.242 1.00 0.00 WT2 H ATOM 30727 OH2 TIP3 3929 -2.819 2.464 -10.747 1.00 0.00 WT2 O ATOM 30728 H1 TIP3 3929 -6.105 -2.692 -15.360 1.00 0.00 WT2 H ATOM 30729 H2 TIP3 3929 4.188 7.185 3.331 1.00 0.00 WT2 H ATOM 30730 OH2 TIP3 3930 -2.254 -7.228 0.582 1.00 0.00 WT2 O ATOM 30731 H1 TIP3 3930 -20.182 18.409 -1.198 1.00 0.00 WT2 H ATOM 30732 H2 TIP3 3930 -13.916 -18.881 13.809 1.00 0.00 WT2 H ATOM 30733 OH2 TIP3 3931 -1.259 1.394 9.515 1.00 0.00 WT2 O ATOM 30734 H1 TIP3 3931 -3.454 2.055 9.505 1.00 0.00 WT2 H ATOM 30735 H2 TIP3 3931 25.072 -13.355 5.243 1.00 0.00 WT2 H ATOM 30736 OH2 TIP3 3932 0.360 1.297 -2.735 1.00 0.00 WT2 O ATOM 30737 H1 TIP3 3932 3.463 -5.379 -5.525 1.00 0.00 WT2 H ATOM 30738 H2 TIP3 3932 11.336 -3.508 8.878 1.00 0.00 WT2 H ATOM 30739 OH2 TIP3 3933 10.055 5.574 2.702 1.00 0.00 WT2 O ATOM 30740 H1 TIP3 3933 3.802 2.572 2.613 1.00 0.00 WT2 H ATOM 30741 H2 TIP3 3933 10.642 7.261 -0.227 1.00 0.00 WT2 H ATOM 30742 OH2 TIP3 3934 2.910 1.849 -0.492 1.00 0.00 WT2 O ATOM 30743 H1 TIP3 3934 15.775 -7.906 16.060 1.00 0.00 WT2 H ATOM 30744 H2 TIP3 3934 16.951 16.811 -8.308 1.00 0.00 WT2 H ATOM 30745 OH2 TIP3 3949 -3.194 -1.507 6.730 1.00 0.00 WT2 O ATOM 30746 H1 TIP3 3949 10.526 -8.732 14.670 1.00 0.00 WT2 H ATOM 30747 H2 TIP3 3949 -10.906 -5.124 -3.177 1.00 0.00 WT2 H ATOM 30748 OH2 TIP3 3951 0.414 -2.987 1.180 1.00 0.00 WT2 O ATOM 30749 H1 TIP3 3951 3.290 -1.382 15.909 1.00 0.00 WT2 H ATOM 30750 H2 TIP3 3951 2.660 -1.941 17.029 1.00 0.00 WT2 H ATOM 30751 OH2 TIP3 3955 -3.759 6.184 -0.296 1.00 0.00 WT2 O ATOM 30752 H1 TIP3 3955 1.078 0.940 -8.400 1.00 0.00 WT2 H ATOM 30753 H2 TIP3 3955 -20.573 -8.138 -10.059 1.00 0.00 WT2 H ATOM 30754 OH2 TIP3 3956 -2.042 -3.026 1.743 1.00 0.00 WT2 O ATOM 30755 H1 TIP3 3956 6.630 1.885 -12.221 1.00 0.00 WT2 H ATOM 30756 H2 TIP3 3956 -12.653 -8.101 20.096 1.00 0.00 WT2 H ATOM 30757 OH2 TIP3 3971 0.233 -2.880 6.247 1.00 0.00 WT2 O ATOM 30758 H1 TIP3 3971 13.352 -8.242 -21.188 1.00 0.00 WT2 H ATOM 30759 H2 TIP3 3971 -5.610 0.545 15.280 1.00 0.00 WT2 H ATOM 30760 OH2 TIP3 3972 2.474 -2.120 1.232 1.00 0.00 WT2 O ATOM 30761 H1 TIP3 3972 29.537 -12.182 4.427 1.00 0.00 WT2 H ATOM 30762 H2 TIP3 3972 -19.879 5.808 0.722 1.00 0.00 WT2 H ATOM 30763 OH2 TIP3 3973 2.396 -4.489 1.788 1.00 0.00 WT2 O ATOM 30764 H1 TIP3 3973 -2.974 8.668 -7.808 1.00 0.00 WT2 H ATOM 30765 H2 TIP3 3973 -1.931 -8.194 -28.500 1.00 0.00 WT2 H ATOM 30766 OH2 TIP3 3974 2.829 -0.180 0.021 1.00 0.00 WT2 O ATOM 30767 H1 TIP3 3974 12.333 -3.469 -21.255 1.00 0.00 WT2 H ATOM 30768 H2 TIP3 3974 19.299 13.062 -22.492 1.00 0.00 WT2 H ATOM 30769 OH2 TIP3 3975 0.236 0.333 5.184 1.00 0.00 WT2 O ATOM 30770 H1 TIP3 3975 -12.538 1.419 11.167 1.00 0.00 WT2 H ATOM 30771 H2 TIP3 3975 10.427 -1.384 -11.138 1.00 0.00 WT2 H ATOM 30772 OH2 TIP3 3976 0.897 -0.697 -0.924 1.00 0.00 WT2 O ATOM 30773 H1 TIP3 3976 -31.964 -5.837 -1.343 1.00 0.00 WT2 H ATOM 30774 H2 TIP3 3976 -5.876 2.934 -22.264 1.00 0.00 WT2 H ATOM 30775 OH2 TIP3 3977 0.932 0.214 3.264 1.00 0.00 WT2 O ATOM 30776 H1 TIP3 3977 0.130 2.953 1.749 1.00 0.00 WT2 H ATOM 30777 H2 TIP3 3977 10.171 -5.706 -4.775 1.00 0.00 WT2 H ATOM 30778 OH2 TIP3 3978 5.983 1.550 -4.002 1.00 0.00 WT2 O ATOM 30779 H1 TIP3 3978 -6.533 15.045 3.656 1.00 0.00 WT2 H ATOM 30780 H2 TIP3 3978 1.483 3.333 5.783 1.00 0.00 WT2 H ATOM 30781 OH2 TIP3 3986 -2.039 -2.249 -2.583 1.00 0.00 WT2 O ATOM 30782 H1 TIP3 3986 -17.554 12.296 -13.744 1.00 0.00 WT2 H ATOM 30783 H2 TIP3 3986 -28.677 -13.672 16.470 1.00 0.00 WT2 H ATOM 30784 OH2 TIP3 3991 -2.700 0.156 0.717 1.00 0.00 WT2 O ATOM 30785 H1 TIP3 3991 -19.660 -13.472 20.253 1.00 0.00 WT2 H ATOM 30786 H2 TIP3 3991 -16.755 5.804 -13.502 1.00 0.00 WT2 H ATOM 30787 OH2 TIP3 3992 4.897 -3.925 5.827 1.00 0.00 WT2 O ATOM 30788 H1 TIP3 3992 10.221 1.702 10.749 1.00 0.00 WT2 H ATOM 30789 H2 TIP3 3992 -11.830 -1.821 13.479 1.00 0.00 WT2 H ATOM 30790 OH2 TIP3 3993 -2.137 -1.180 3.261 1.00 0.00 WT2 O ATOM 30791 H1 TIP3 3993 19.741 16.803 7.920 1.00 0.00 WT2 H ATOM 30792 H2 TIP3 3993 17.369 12.489 5.074 1.00 0.00 WT2 H ATOM 30793 OH2 TIP3 3994 2.568 0.831 -9.384 1.00 0.00 WT2 O ATOM 30794 H1 TIP3 3994 -8.364 -19.631 21.641 1.00 0.00 WT2 H ATOM 30795 H2 TIP3 3994 17.242 -4.200 -7.204 1.00 0.00 WT2 H ATOM 30796 OH2 TIP3 3995 -0.347 -2.987 -6.764 1.00 0.00 WT2 O ATOM 30797 H1 TIP3 3995 -4.930 1.697 -3.441 1.00 0.00 WT2 H ATOM 30798 H2 TIP3 3995 -15.816 1.484 12.790 1.00 0.00 WT2 H ATOM 30799 OH2 TIP3 3996 -1.826 -0.959 -0.231 1.00 0.00 WT2 O ATOM 30800 H1 TIP3 3996 10.548 -1.933 3.160 1.00 0.00 WT2 H ATOM 30801 H2 TIP3 3996 8.948 -4.404 5.593 1.00 0.00 WT2 H ATOM 30802 OH2 TIP3 4009 -1.299 -1.785 -6.761 1.00 0.00 WT2 O ATOM 30803 H1 TIP3 4009 4.726 -0.781 0.407 1.00 0.00 WT2 H ATOM 30804 H2 TIP3 4009 -10.640 -4.103 -14.303 1.00 0.00 WT2 H ATOM 30805 OH2 TIP3 4010 3.829 3.458 -0.872 1.00 0.00 WT2 O ATOM 30806 H1 TIP3 4010 5.067 12.724 -1.151 1.00 0.00 WT2 H ATOM 30807 H2 TIP3 4010 0.000 8.549 2.773 1.00 0.00 WT2 H ATOM 30808 OH2 TIP3 4011 1.005 1.616 4.694 1.00 0.00 WT2 O ATOM 30809 H1 TIP3 4011 -1.974 8.156 -10.475 1.00 0.00 WT2 H ATOM 30810 H2 TIP3 4011 9.256 5.839 4.987 1.00 0.00 WT2 H ATOM 30811 OH2 TIP3 4012 3.792 -0.760 -1.466 1.00 0.00 WT2 O ATOM 30812 H1 TIP3 4012 -1.766 -6.326 -13.404 1.00 0.00 WT2 H ATOM 30813 H2 TIP3 4012 -0.221 -1.103 -13.994 1.00 0.00 WT2 H ATOM 30814 OH2 TIP3 4014 -1.642 0.177 -0.983 1.00 0.00 WT2 O ATOM 30815 H1 TIP3 4014 1.652 36.304 9.445 1.00 0.00 WT2 H ATOM 30816 H2 TIP3 4014 0.347 10.084 2.470 1.00 0.00 WT2 H ATOM 30817 OH2 TIP3 4015 8.064 4.446 0.829 1.00 0.00 WT2 O ATOM 30818 H1 TIP3 4015 -4.810 -2.834 2.670 1.00 0.00 WT2 H ATOM 30819 H2 TIP3 4015 14.907 5.663 2.475 1.00 0.00 WT2 H ATOM 30820 OH2 TIP3 4016 9.669 2.030 3.656 1.00 0.00 WT2 O ATOM 30821 H1 TIP3 4016 0.994 5.378 -4.781 1.00 0.00 WT2 H ATOM 30822 H2 TIP3 4016 14.139 -10.451 -8.690 1.00 0.00 WT2 H ATOM 30823 OH2 TIP3 4017 -3.590 1.273 4.487 1.00 0.00 WT2 O ATOM 30824 H1 TIP3 4017 -4.075 0.859 5.117 1.00 0.00 WT2 H ATOM 30825 H2 TIP3 4017 -6.200 -0.788 10.217 1.00 0.00 WT2 H ATOM 30826 OH2 TIP3 4021 -6.385 -2.521 -2.423 1.00 0.00 WT2 O ATOM 30827 H1 TIP3 4021 9.984 -31.516 29.881 1.00 0.00 WT2 H ATOM 30828 H2 TIP3 4021 2.787 16.170 -2.707 1.00 0.00 WT2 H ATOM 30829 OH2 TIP3 4022 1.477 -0.736 3.842 1.00 0.00 WT2 O ATOM 30830 H1 TIP3 4022 -10.064 -19.669 -1.769 1.00 0.00 WT2 H ATOM 30831 H2 TIP3 4022 -9.477 3.974 4.490 1.00 0.00 WT2 H ATOM 30832 OH2 TIP3 4030 1.122 -7.984 2.761 1.00 0.00 WT2 O ATOM 30833 H1 TIP3 4030 6.773 6.453 2.453 1.00 0.00 WT2 H ATOM 30834 H2 TIP3 4030 19.006 0.779 -27.263 1.00 0.00 WT2 H ATOM 30835 OH2 TIP3 4033 -0.833 -4.237 -3.013 1.00 0.00 WT2 O ATOM 30836 H1 TIP3 4033 1.865 5.563 0.824 1.00 0.00 WT2 H ATOM 30837 H2 TIP3 4033 1.778 -9.793 6.125 1.00 0.00 WT2 H ATOM 30838 OH2 TIP3 4035 -3.656 2.131 0.045 1.00 0.00 WT2 O ATOM 30839 H1 TIP3 4035 -15.868 1.119 6.846 1.00 0.00 WT2 H ATOM 30840 H2 TIP3 4035 -1.374 5.734 11.559 1.00 0.00 WT2 H ATOM 30841 OH2 TIP3 4036 2.637 0.154 3.428 1.00 0.00 WT2 O ATOM 30842 H1 TIP3 4036 -1.569 3.682 4.884 1.00 0.00 WT2 H ATOM 30843 H2 TIP3 4036 4.813 -0.774 2.476 1.00 0.00 WT2 H ATOM 30844 OH2 TIP3 4037 3.892 0.540 1.745 1.00 0.00 WT2 O ATOM 30845 H1 TIP3 4037 2.024 -17.759 -1.764 1.00 0.00 WT2 H ATOM 30846 H2 TIP3 4037 10.345 6.294 0.454 1.00 0.00 WT2 H ATOM 30847 OH2 TIP3 4040 -1.259 4.722 2.704 1.00 0.00 WT2 O ATOM 30848 H1 TIP3 4040 6.387 -1.697 -1.745 1.00 0.00 WT2 H ATOM 30849 H2 TIP3 4040 -30.521 -19.429 -11.710 1.00 0.00 WT2 H ATOM 30850 OH2 TIP3 4053 -6.584 -6.801 -0.888 1.00 0.00 WT2 O ATOM 30851 H1 TIP3 4053 3.018 -3.183 -15.640 1.00 0.00 WT2 H ATOM 30852 H2 TIP3 4053 0.532 -4.257 -9.000 1.00 0.00 WT2 H ATOM 30853 OH2 TIP3 4054 -1.086 2.355 3.543 1.00 0.00 WT2 O ATOM 30854 H1 TIP3 4054 32.071 8.541 24.318 1.00 0.00 WT2 H ATOM 30855 H2 TIP3 4054 -15.351 -23.241 14.022 1.00 0.00 WT2 H ATOM 30856 OH2 TIP3 4055 5.736 5.022 1.241 1.00 0.00 WT2 O ATOM 30857 H1 TIP3 4055 1.161 1.329 0.925 1.00 0.00 WT2 H ATOM 30858 H2 TIP3 4055 13.013 2.986 2.566 1.00 0.00 WT2 H ATOM 30859 OH2 TIP3 4056 -6.524 0.582 -3.422 1.00 0.00 WT2 O ATOM 30860 H1 TIP3 4056 -20.422 27.990 -0.988 1.00 0.00 WT2 H ATOM 30861 H2 TIP3 4056 -13.012 5.978 4.897 1.00 0.00 WT2 H ATOM 30862 OH2 TIP3 4057 -1.407 -3.585 -1.681 1.00 0.00 WT2 O ATOM 30863 H1 TIP3 4057 17.790 16.684 6.739 1.00 0.00 WT2 H ATOM 30864 H2 TIP3 4057 -9.773 -10.905 2.259 1.00 0.00 WT2 H ATOM 30865 OH2 TIP3 4058 -5.790 -4.519 -5.350 1.00 0.00 WT2 O ATOM 30866 H1 TIP3 4058 8.157 -25.258 -8.146 1.00 0.00 WT2 H ATOM 30867 H2 TIP3 4058 -10.588 23.039 12.387 1.00 0.00 WT2 H ATOM 30868 OH2 TIP3 4059 -1.229 -8.747 0.119 1.00 0.00 WT2 O ATOM 30869 H1 TIP3 4059 -1.404 4.192 -7.637 1.00 0.00 WT2 H ATOM 30870 H2 TIP3 4059 -15.888 -10.699 0.975 1.00 0.00 WT2 H ATOM 30871 OH2 TIP3 4060 0.367 1.346 -0.892 1.00 0.00 WT2 O ATOM 30872 H1 TIP3 4060 6.593 -14.997 -8.993 1.00 0.00 WT2 H ATOM 30873 H2 TIP3 4060 0.017 -4.102 -5.111 1.00 0.00 WT2 H ATOM 30874 OH2 TIP3 4064 -3.698 8.343 -0.874 1.00 0.00 WT2 O ATOM 30875 H1 TIP3 4064 -13.668 14.546 2.086 1.00 0.00 WT2 H ATOM 30876 H2 TIP3 4064 13.095 -2.621 -7.147 1.00 0.00 WT2 H ATOM 30877 OH2 TIP3 4072 -1.571 0.968 -2.304 1.00 0.00 WT2 O ATOM 30878 H1 TIP3 4072 3.187 -4.653 2.207 1.00 0.00 WT2 H ATOM 30879 H2 TIP3 4072 3.687 23.254 -14.045 1.00 0.00 WT2 H ATOM 30880 OH2 TIP3 4074 -4.772 -6.431 4.335 1.00 0.00 WT2 O ATOM 30881 H1 TIP3 4074 -6.581 -6.152 8.769 1.00 0.00 WT2 H ATOM 30882 H2 TIP3 4074 -3.669 -8.625 3.479 1.00 0.00 WT2 H ATOM 30883 OH2 TIP3 4076 1.894 -1.945 -2.896 1.00 0.00 WT2 O ATOM 30884 H1 TIP3 4076 -6.851 1.971 5.759 1.00 0.00 WT2 H ATOM 30885 H2 TIP3 4076 -3.666 0.530 2.599 1.00 0.00 WT2 H ATOM 30886 OH2 TIP3 4077 -2.380 -10.593 3.582 1.00 0.00 WT2 O ATOM 30887 H1 TIP3 4077 -9.829 -10.823 -15.471 1.00 0.00 WT2 H ATOM 30888 H2 TIP3 4077 8.040 9.760 -1.276 1.00 0.00 WT2 H ATOM 30889 OH2 TIP3 4078 -4.786 1.022 0.791 1.00 0.00 WT2 O ATOM 30890 H1 TIP3 4078 -21.925 1.782 12.198 1.00 0.00 WT2 H ATOM 30891 H2 TIP3 4078 12.000 15.077 11.805 1.00 0.00 WT2 H ATOM 30892 OH2 TIP3 4083 -2.932 -2.618 0.525 1.00 0.00 WT2 O ATOM 30893 H1 TIP3 4083 -5.615 9.477 -5.821 1.00 0.00 WT2 H ATOM 30894 H2 TIP3 4083 -5.008 6.165 -4.565 1.00 0.00 WT2 H ATOM 30895 OH2 TIP3 4093 1.145 -1.557 -5.989 1.00 0.00 WT2 O ATOM 30896 H1 TIP3 4093 -4.180 -3.038 0.055 1.00 0.00 WT2 H ATOM 30897 H2 TIP3 4093 -8.579 -9.129 4.034 1.00 0.00 WT2 H ATOM 30898 OH2 TIP3 4097 -0.528 -1.377 -2.652 1.00 0.00 WT2 O ATOM 30899 H1 TIP3 4097 -0.422 -23.461 -3.887 1.00 0.00 WT2 H ATOM 30900 H2 TIP3 4097 -3.333 3.992 -4.347 1.00 0.00 WT2 H ATOM 30901 OH2 TIP3 4098 -3.363 3.021 -3.542 1.00 0.00 WT2 O ATOM 30902 H1 TIP3 4098 -8.736 -5.175 -13.837 1.00 0.00 WT2 H ATOM 30903 H2 TIP3 4098 -7.771 3.142 21.090 1.00 0.00 WT2 H ATOM 30904 OH2 TIP3 4099 -0.342 -4.567 -0.845 1.00 0.00 WT2 O ATOM 30905 H1 TIP3 4099 5.372 -3.864 6.594 1.00 0.00 WT2 H ATOM 30906 H2 TIP3 4099 -1.392 -2.896 0.870 1.00 0.00 WT2 H ATOM 30907 OH2 TIP3 4100 5.764 -0.641 0.267 1.00 0.00 WT2 O ATOM 30908 H1 TIP3 4100 3.652 -2.327 1.001 1.00 0.00 WT2 H ATOM 30909 H2 TIP3 4100 15.602 18.612 -5.958 1.00 0.00 WT2 H ATOM 30910 OH2 TIP3 4101 -2.974 -0.983 2.514 1.00 0.00 WT2 O ATOM 30911 H1 TIP3 4101 -13.879 9.739 -13.171 1.00 0.00 WT2 H ATOM 30912 H2 TIP3 4101 -2.182 10.823 6.967 1.00 0.00 WT2 H ATOM 30913 OH2 TIP3 4104 3.358 -1.263 2.589 1.00 0.00 WT2 O ATOM 30914 H1 TIP3 4104 5.776 -4.236 3.556 1.00 0.00 WT2 H ATOM 30915 H2 TIP3 4104 -0.911 -3.908 9.168 1.00 0.00 WT2 H ATOM 30916 OH2 TIP3 4116 -0.773 -2.912 -2.456 1.00 0.00 WT2 O ATOM 30917 H1 TIP3 4116 -24.280 18.533 4.780 1.00 0.00 WT2 H ATOM 30918 H2 TIP3 4116 -11.981 -0.459 4.043 1.00 0.00 WT2 H ATOM 30919 OH2 TIP3 4119 -3.254 7.240 -5.431 1.00 0.00 WT2 O ATOM 30920 H1 TIP3 4119 15.781 7.900 18.408 1.00 0.00 WT2 H ATOM 30921 H2 TIP3 4119 -3.728 -5.201 13.634 1.00 0.00 WT2 H ATOM 30922 OH2 TIP3 4120 -6.549 0.293 4.677 1.00 0.00 WT2 O ATOM 30923 H1 TIP3 4120 -1.689 -10.710 16.404 1.00 0.00 WT2 H ATOM 30924 H2 TIP3 4120 -6.077 -2.548 7.031 1.00 0.00 WT2 H ATOM 30925 OH2 TIP3 4121 -2.369 4.281 -0.664 1.00 0.00 WT2 O ATOM 30926 H1 TIP3 4121 0.050 -2.549 -1.533 1.00 0.00 WT2 H ATOM 30927 H2 TIP3 4121 4.208 6.883 3.082 1.00 0.00 WT2 H ATOM 30928 OH2 TIP3 4123 -0.015 -2.254 -3.059 1.00 0.00 WT2 O ATOM 30929 H1 TIP3 4123 -11.647 -1.599 -11.103 1.00 0.00 WT2 H ATOM 30930 H2 TIP3 4123 -3.450 -9.858 -1.155 1.00 0.00 WT2 H ATOM 30931 OH2 TIP3 4138 -0.529 -2.817 -1.412 1.00 0.00 WT2 O ATOM 30932 H1 TIP3 4138 -3.740 -4.819 12.099 1.00 0.00 WT2 H ATOM 30933 H2 TIP3 4138 -3.696 -0.154 -2.256 1.00 0.00 WT2 H ATOM 30934 OH2 TIP3 4139 1.122 3.489 2.112 1.00 0.00 WT2 O ATOM 30935 H1 TIP3 4139 -15.536 8.194 -4.598 1.00 0.00 WT2 H ATOM 30936 H2 TIP3 4139 -4.181 -4.935 2.402 1.00 0.00 WT2 H ATOM 30937 OH2 TIP3 4140 -4.209 -1.016 -2.056 1.00 0.00 WT2 O ATOM 30938 H1 TIP3 4140 -2.818 10.851 -14.813 1.00 0.00 WT2 H ATOM 30939 H2 TIP3 4140 7.071 -1.981 12.981 1.00 0.00 WT2 H ATOM 30940 OH2 TIP3 4141 -3.941 1.490 -4.975 1.00 0.00 WT2 O ATOM 30941 H1 TIP3 4141 -6.879 -11.035 -2.564 1.00 0.00 WT2 H ATOM 30942 H2 TIP3 4141 -11.988 -5.045 7.934 1.00 0.00 WT2 H ATOM 30943 OH2 TIP3 4142 4.190 -0.547 -0.527 1.00 0.00 WT2 O ATOM 30944 H1 TIP3 4142 5.762 -5.339 -13.298 1.00 0.00 WT2 H ATOM 30945 H2 TIP3 4142 29.141 -6.034 -2.638 1.00 0.00 WT2 H ATOM 30946 OH2 TIP3 4143 -7.022 -0.531 0.525 1.00 0.00 WT2 O ATOM 30947 H1 TIP3 4143 2.485 -2.776 3.155 1.00 0.00 WT2 H ATOM 30948 H2 TIP3 4143 -23.860 10.389 9.970 1.00 0.00 WT2 H ATOM 30949 OH2 TIP3 4157 -3.990 2.643 2.060 1.00 0.00 WT2 O ATOM 30950 H1 TIP3 4157 -5.821 -0.954 14.054 1.00 0.00 WT2 H ATOM 30951 H2 TIP3 4157 -8.237 3.421 0.305 1.00 0.00 WT2 H ATOM 30952 OH2 TIP3 4158 -4.605 -0.857 3.863 1.00 0.00 WT2 O ATOM 30953 H1 TIP3 4158 13.174 0.936 20.643 1.00 0.00 WT2 H ATOM 30954 H2 TIP3 4158 -8.156 2.377 2.285 1.00 0.00 WT2 H ATOM 30955 OH2 TIP3 4159 -0.068 -3.201 -4.345 1.00 0.00 WT2 O ATOM 30956 H1 TIP3 4159 3.288 -2.822 -2.029 1.00 0.00 WT2 H ATOM 30957 H2 TIP3 4159 0.026 -7.492 -9.478 1.00 0.00 WT2 H ATOM 30958 OH2 TIP3 4161 4.652 -1.686 5.390 1.00 0.00 WT2 O ATOM 30959 H1 TIP3 4161 1.905 -2.600 23.302 1.00 0.00 WT2 H ATOM 30960 H2 TIP3 4161 -3.546 5.784 -11.021 1.00 0.00 WT2 H ATOM 30961 OH2 TIP3 4165 6.668 0.981 1.703 1.00 0.00 WT2 O ATOM 30962 H1 TIP3 4165 5.968 -17.561 -6.895 1.00 0.00 WT2 H ATOM 30963 H2 TIP3 4165 2.631 29.946 16.683 1.00 0.00 WT2 H ATOM 30964 OH2 TIP3 4179 1.916 1.287 -3.617 1.00 0.00 WT2 O ATOM 30965 H1 TIP3 4179 -3.928 -6.564 1.607 1.00 0.00 WT2 H ATOM 30966 H2 TIP3 4179 9.344 4.244 2.247 1.00 0.00 WT2 H ATOM 30967 OH2 TIP3 4181 5.374 -0.132 6.550 1.00 0.00 WT2 O ATOM 30968 H1 TIP3 4181 -2.864 8.234 1.351 1.00 0.00 WT2 H ATOM 30969 H2 TIP3 4181 1.447 -11.717 2.708 1.00 0.00 WT2 H ATOM 30970 OH2 TIP3 4182 6.461 2.079 3.853 1.00 0.00 WT2 O ATOM 30971 H1 TIP3 4182 -2.652 -1.807 15.998 1.00 0.00 WT2 H ATOM 30972 H2 TIP3 4182 -3.323 -13.323 -16.139 1.00 0.00 WT2 H ATOM 30973 OH2 TIP3 4183 4.956 -2.194 -1.826 1.00 0.00 WT2 O ATOM 30974 H1 TIP3 4183 -7.279 2.192 5.627 1.00 0.00 WT2 H ATOM 30975 H2 TIP3 4183 -17.219 5.491 9.203 1.00 0.00 WT2 H ATOM 30976 OH2 TIP3 4184 -7.700 -0.416 -4.028 1.00 0.00 WT2 O ATOM 30977 H1 TIP3 4184 -5.385 -4.661 -0.588 1.00 0.00 WT2 H ATOM 30978 H2 TIP3 4184 1.936 -18.056 -1.163 1.00 0.00 WT2 H ATOM 30979 OH2 TIP3 4186 -6.837 1.174 4.536 1.00 0.00 WT2 O ATOM 30980 H1 TIP3 4186 20.257 17.437 22.317 1.00 0.00 WT2 H ATOM 30981 H2 TIP3 4186 -15.524 -6.249 12.487 1.00 0.00 WT2 H ATOM 30982 OH2 TIP3 4187 5.742 -3.427 3.501 1.00 0.00 WT2 O ATOM 30983 H1 TIP3 4187 12.694 12.359 9.817 1.00 0.00 WT2 H ATOM 30984 H2 TIP3 4187 -8.667 -7.675 -2.297 1.00 0.00 WT2 H ATOM 30985 OH2 TIP3 4198 0.119 -3.294 -1.797 1.00 0.00 WT2 O ATOM 30986 H1 TIP3 4198 1.387 -3.633 14.767 1.00 0.00 WT2 H ATOM 30987 H2 TIP3 4198 3.382 8.881 0.557 1.00 0.00 WT2 H ATOM 30988 OH2 TIP3 4200 0.831 1.290 -2.555 1.00 0.00 WT2 O ATOM 30989 H1 TIP3 4200 -10.854 0.507 1.534 1.00 0.00 WT2 H ATOM 30990 H2 TIP3 4200 -32.979 -11.330 -1.861 1.00 0.00 WT2 H ATOM 30991 OH2 TIP3 4201 0.561 3.673 3.175 1.00 0.00 WT2 O ATOM 30992 H1 TIP3 4201 19.357 -27.729 8.712 1.00 0.00 WT2 H ATOM 30993 H2 TIP3 4201 2.940 2.802 6.153 1.00 0.00 WT2 H ATOM 30994 OH2 TIP3 4202 -2.708 5.036 3.204 1.00 0.00 WT2 O ATOM 30995 H1 TIP3 4202 7.522 -0.284 8.699 1.00 0.00 WT2 H ATOM 30996 H2 TIP3 4202 5.103 13.733 -0.590 1.00 0.00 WT2 H ATOM 30997 OH2 TIP3 4205 1.082 1.514 1.175 1.00 0.00 WT2 O ATOM 30998 H1 TIP3 4205 3.407 -10.355 6.581 1.00 0.00 WT2 H ATOM 30999 H2 TIP3 4205 -1.938 2.588 -1.732 1.00 0.00 WT2 H ATOM 31000 OH2 TIP3 4206 -1.243 0.952 0.796 1.00 0.00 WT2 O ATOM 31001 H1 TIP3 4206 -14.855 -14.869 5.625 1.00 0.00 WT2 H ATOM 31002 H2 TIP3 4206 -10.872 2.156 9.796 1.00 0.00 WT2 H ATOM 31003 OH2 TIP3 4207 -6.541 1.365 3.025 1.00 0.00 WT2 O ATOM 31004 H1 TIP3 4207 -26.377 12.690 8.109 1.00 0.00 WT2 H ATOM 31005 H2 TIP3 4207 -1.394 3.557 -3.940 1.00 0.00 WT2 H ATOM 31006 OH2 TIP3 4218 -1.226 6.944 -0.697 1.00 0.00 WT2 O ATOM 31007 H1 TIP3 4218 2.766 9.729 1.054 1.00 0.00 WT2 H ATOM 31008 H2 TIP3 4218 -21.589 -7.761 -11.214 1.00 0.00 WT2 H ATOM 31009 OH2 TIP3 4219 3.356 5.043 0.539 1.00 0.00 WT2 O ATOM 31010 H1 TIP3 4219 18.889 18.164 -12.771 1.00 0.00 WT2 H ATOM 31011 H2 TIP3 4219 -3.834 -11.525 -6.034 1.00 0.00 WT2 H ATOM 31012 OH2 TIP3 4224 -3.753 -8.464 -2.139 1.00 0.00 WT2 O ATOM 31013 H1 TIP3 4224 -2.279 -15.013 -7.065 1.00 0.00 WT2 H ATOM 31014 H2 TIP3 4224 21.853 3.054 11.668 1.00 0.00 WT2 H ATOM 31015 OH2 TIP3 4225 1.597 2.574 2.552 1.00 0.00 WT2 O ATOM 31016 H1 TIP3 4225 5.806 8.099 -9.272 1.00 0.00 WT2 H ATOM 31017 H2 TIP3 4225 -6.879 10.268 23.523 1.00 0.00 WT2 H ATOM 31018 OH2 TIP3 4226 -4.313 2.217 -5.264 1.00 0.00 WT2 O ATOM 31019 H1 TIP3 4226 -5.558 10.940 3.820 1.00 0.00 WT2 H ATOM 31020 H2 TIP3 4226 2.997 -17.317 1.485 1.00 0.00 WT2 H ATOM 31021 OH2 TIP3 4227 2.703 0.754 4.583 1.00 0.00 WT2 O ATOM 31022 H1 TIP3 4227 12.805 0.009 2.039 1.00 0.00 WT2 H ATOM 31023 H2 TIP3 4227 1.751 6.044 0.753 1.00 0.00 WT2 H ATOM 31024 OH2 TIP3 4229 -5.787 1.202 -2.679 1.00 0.00 WT2 O ATOM 31025 H1 TIP3 4229 19.477 24.814 7.400 1.00 0.00 WT2 H ATOM 31026 H2 TIP3 4229 13.634 -14.479 4.230 1.00 0.00 WT2 H ATOM 31027 OH2 TIP3 4243 3.555 -3.764 -7.826 1.00 0.00 WT2 O ATOM 31028 H1 TIP3 4243 -8.598 -4.151 1.787 1.00 0.00 WT2 H ATOM 31029 H2 TIP3 4243 -17.812 -4.303 -14.469 1.00 0.00 WT2 H ATOM 31030 OH2 TIP3 4245 -4.394 -1.431 3.190 1.00 0.00 WT2 O ATOM 31031 H1 TIP3 4245 0.982 10.096 4.212 1.00 0.00 WT2 H ATOM 31032 H2 TIP3 4245 -1.500 1.324 6.311 1.00 0.00 WT2 H ATOM 31033 OH2 TIP3 4246 8.849 -1.079 -3.923 1.00 0.00 WT2 O ATOM 31034 H1 TIP3 4246 -2.809 6.788 2.474 1.00 0.00 WT2 H ATOM 31035 H2 TIP3 4246 -6.757 9.781 4.000 1.00 0.00 WT2 H ATOM 31036 OH2 TIP3 4247 -7.963 1.052 0.958 1.00 0.00 WT2 O ATOM 31037 H1 TIP3 4247 13.155 -30.392 21.406 1.00 0.00 WT2 H ATOM 31038 H2 TIP3 4247 13.169 -9.572 12.688 1.00 0.00 WT2 H ATOM 31039 OH2 TIP3 4248 2.498 -7.060 3.720 1.00 0.00 WT2 O ATOM 31040 H1 TIP3 4248 6.328 -17.767 -6.512 1.00 0.00 WT2 H ATOM 31041 H2 TIP3 4248 17.296 -6.095 -10.801 1.00 0.00 WT2 H ATOM 31042 OH2 TIP3 4251 3.347 -5.817 3.522 1.00 0.00 WT2 O ATOM 31043 H1 TIP3 4251 7.738 -8.329 2.218 1.00 0.00 WT2 H ATOM 31044 H2 TIP3 4251 2.321 5.388 -0.009 1.00 0.00 WT2 H ATOM 31045 OH2 TIP3 4262 -5.169 1.461 -0.336 1.00 0.00 WT2 O ATOM 31046 H1 TIP3 4262 -12.477 -15.093 17.537 1.00 0.00 WT2 H ATOM 31047 H2 TIP3 4262 15.373 -16.359 -19.240 1.00 0.00 WT2 H ATOM 31048 OH2 TIP3 4264 -6.270 -2.058 0.328 1.00 0.00 WT2 O ATOM 31049 H1 TIP3 4264 15.202 -28.154 -5.606 1.00 0.00 WT2 H ATOM 31050 H2 TIP3 4264 -13.159 2.416 1.255 1.00 0.00 WT2 H ATOM 31051 OH2 TIP3 4266 7.240 -1.531 1.076 1.00 0.00 WT2 O ATOM 31052 H1 TIP3 4266 -23.562 -11.081 -7.724 1.00 0.00 WT2 H ATOM 31053 H2 TIP3 4266 12.131 8.347 -7.419 1.00 0.00 WT2 H ATOM 31054 OH2 TIP3 4267 0.646 -5.684 2.407 1.00 0.00 WT2 O ATOM 31055 H1 TIP3 4267 22.235 5.945 -22.116 1.00 0.00 WT2 H ATOM 31056 H2 TIP3 4267 -9.581 -9.834 -14.103 1.00 0.00 WT2 H ATOM 31057 OH2 TIP3 4268 2.847 -7.460 7.373 1.00 0.00 WT2 O ATOM 31058 H1 TIP3 4268 -5.739 -0.229 9.253 1.00 0.00 WT2 H ATOM 31059 H2 TIP3 4268 17.399 -29.053 16.473 1.00 0.00 WT2 H ATOM 31060 OH2 TIP3 4269 -6.767 3.048 -4.870 1.00 0.00 WT2 O ATOM 31061 H1 TIP3 4269 0.147 -1.871 -11.650 1.00 0.00 WT2 H ATOM 31062 H2 TIP3 4269 -16.289 -12.525 0.625 1.00 0.00 WT2 H ATOM 31063 OH2 TIP3 4282 -1.555 -6.551 0.410 1.00 0.00 WT2 O ATOM 31064 H1 TIP3 4282 -3.715 8.894 5.717 1.00 0.00 WT2 H ATOM 31065 H2 TIP3 4282 9.859 -5.032 -11.291 1.00 0.00 WT2 H ATOM 31066 OH2 TIP3 4283 -4.460 0.587 -1.822 1.00 0.00 WT2 O ATOM 31067 H1 TIP3 4283 -30.964 6.317 -15.273 1.00 0.00 WT2 H ATOM 31068 H2 TIP3 4283 -8.977 -31.875 2.819 1.00 0.00 WT2 H ATOM 31069 OH2 TIP3 4287 -2.434 4.541 -4.833 1.00 0.00 WT2 O ATOM 31070 H1 TIP3 4287 17.886 -14.202 -13.394 1.00 0.00 WT2 H ATOM 31071 H2 TIP3 4287 1.372 31.259 6.493 1.00 0.00 WT2 H ATOM 31072 OH2 TIP3 4288 -6.140 -3.643 6.133 1.00 0.00 WT2 O ATOM 31073 H1 TIP3 4288 -3.171 -12.195 -7.625 1.00 0.00 WT2 H ATOM 31074 H2 TIP3 4288 -12.084 23.379 1.879 1.00 0.00 WT2 H ATOM 31075 OH2 TIP3 4289 0.827 6.659 4.767 1.00 0.00 WT2 O ATOM 31076 H1 TIP3 4289 -20.320 6.613 -8.499 1.00 0.00 WT2 H ATOM 31077 H2 TIP3 4289 -3.602 21.763 22.425 1.00 0.00 WT2 H ATOM 31078 OH2 TIP3 4290 0.739 3.838 -1.699 1.00 0.00 WT2 O ATOM 31079 H1 TIP3 4290 9.346 -3.598 -20.594 1.00 0.00 WT2 H ATOM 31080 H2 TIP3 4290 11.393 12.910 3.651 1.00 0.00 WT2 H ATOM 31081 OH2 TIP3 4293 -1.830 3.381 4.218 1.00 0.00 WT2 O ATOM 31082 H1 TIP3 4293 2.727 9.343 7.469 1.00 0.00 WT2 H ATOM 31083 H2 TIP3 4293 -2.032 3.783 3.958 1.00 0.00 WT2 H ATOM 31084 OH2 TIP3 4297 4.785 2.056 -0.950 1.00 0.00 WT2 O ATOM 31085 H1 TIP3 4297 20.749 -2.439 -15.659 1.00 0.00 WT2 H ATOM 31086 H2 TIP3 4297 -12.011 -11.346 0.153 1.00 0.00 WT2 H ATOM 31087 OH2 TIP3 4304 2.116 2.621 0.121 1.00 0.00 WT2 O ATOM 31088 H1 TIP3 4304 8.934 1.350 -8.082 1.00 0.00 WT2 H ATOM 31089 H2 TIP3 4304 -13.367 3.231 14.971 1.00 0.00 WT2 H ATOM 31090 OH2 TIP3 4306 -4.721 4.647 -4.832 1.00 0.00 WT2 O ATOM 31091 H1 TIP3 4306 5.666 21.863 -1.519 1.00 0.00 WT2 H ATOM 31092 H2 TIP3 4306 -5.019 8.868 7.830 1.00 0.00 WT2 H ATOM 31093 OH2 TIP3 4307 -7.203 5.079 -0.574 1.00 0.00 WT2 O ATOM 31094 H1 TIP3 4307 -13.338 19.037 -3.868 1.00 0.00 WT2 H ATOM 31095 H2 TIP3 4307 -1.469 6.536 14.464 1.00 0.00 WT2 H ATOM 31096 OH2 TIP3 4311 -0.919 5.177 1.406 1.00 0.00 WT2 O ATOM 31097 H1 TIP3 4311 -11.725 -2.554 -6.068 1.00 0.00 WT2 H ATOM 31098 H2 TIP3 4311 -0.590 9.459 8.733 1.00 0.00 WT2 H ATOM 31099 OH2 TIP3 4313 -1.883 4.769 0.731 1.00 0.00 WT2 O ATOM 31100 H1 TIP3 4313 -4.189 0.400 8.020 1.00 0.00 WT2 H ATOM 31101 H2 TIP3 4313 -7.560 -1.561 -5.186 1.00 0.00 WT2 H ATOM 31102 OH2 TIP3 4321 -0.017 2.465 1.320 1.00 0.00 WT2 O ATOM 31103 H1 TIP3 4321 11.018 -14.673 13.013 1.00 0.00 WT2 H ATOM 31104 H2 TIP3 4321 2.869 -2.204 6.545 1.00 0.00 WT2 H ATOM 31105 OH2 TIP3 4328 -5.855 -5.474 -1.224 1.00 0.00 WT2 O ATOM 31106 H1 TIP3 4328 19.098 0.361 -3.706 1.00 0.00 WT2 H ATOM 31107 H2 TIP3 4328 2.033 6.134 -9.578 1.00 0.00 WT2 H ATOM 31108 OH2 TIP3 4329 4.556 2.406 -4.650 1.00 0.00 WT2 O ATOM 31109 H1 TIP3 4329 5.570 8.477 3.182 1.00 0.00 WT2 H ATOM 31110 H2 TIP3 4329 -38.340 -11.184 0.427 1.00 0.00 WT2 H ATOM 31111 OH2 TIP3 4330 -0.244 -1.866 3.699 1.00 0.00 WT2 O ATOM 31112 H1 TIP3 4330 2.846 -1.814 10.840 1.00 0.00 WT2 H ATOM 31113 H2 TIP3 4330 1.393 -0.852 -0.142 1.00 0.00 WT2 H ATOM 31114 OH2 TIP3 4332 -4.379 1.683 3.202 1.00 0.00 WT2 O ATOM 31115 H1 TIP3 4332 15.713 -18.869 17.225 1.00 0.00 WT2 H ATOM 31116 H2 TIP3 4332 -21.001 -2.213 6.715 1.00 0.00 WT2 H ATOM 31117 OH2 TIP3 4337 0.066 2.706 -0.023 1.00 0.00 WT2 O ATOM 31118 H1 TIP3 4337 8.542 3.424 -16.497 1.00 0.00 WT2 H ATOM 31119 H2 TIP3 4337 14.175 -1.135 2.875 1.00 0.00 WT2 H ATOM 31120 OH2 TIP3 4349 -3.892 -4.226 2.759 1.00 0.00 WT2 O ATOM 31121 H1 TIP3 4349 -0.471 -2.182 14.576 1.00 0.00 WT2 H ATOM 31122 H2 TIP3 4349 -5.507 3.149 -5.317 1.00 0.00 WT2 H ATOM 31123 OH2 TIP3 4350 -6.597 -0.031 -4.106 1.00 0.00 WT2 O ATOM 31124 H1 TIP3 4350 5.913 0.782 19.905 1.00 0.00 WT2 H ATOM 31125 H2 TIP3 4350 -19.718 -1.286 -18.125 1.00 0.00 WT2 H ATOM 31126 OH2 TIP3 4351 -5.237 0.423 -0.033 1.00 0.00 WT2 O ATOM 31127 H1 TIP3 4351 23.539 6.807 10.601 1.00 0.00 WT2 H ATOM 31128 H2 TIP3 4351 29.914 25.297 17.553 1.00 0.00 WT2 H ATOM 31129 OH2 TIP3 4352 -0.486 0.732 2.701 1.00 0.00 WT2 O ATOM 31130 H1 TIP3 4352 5.327 -20.959 11.454 1.00 0.00 WT2 H ATOM 31131 H2 TIP3 4352 -1.720 5.629 7.205 1.00 0.00 WT2 H ATOM 31132 OH2 TIP3 4353 -0.643 0.831 1.497 1.00 0.00 WT2 O ATOM 31133 H1 TIP3 4353 28.318 -0.322 -6.009 1.00 0.00 WT2 H ATOM 31134 H2 TIP3 4353 30.232 -16.115 8.944 1.00 0.00 WT2 H ATOM 31135 OH2 TIP3 4356 -3.320 6.957 -1.164 1.00 0.00 WT2 O ATOM 31136 H1 TIP3 4356 -26.437 -0.577 -27.495 1.00 0.00 WT2 H ATOM 31137 H2 TIP3 4356 10.657 31.958 6.321 1.00 0.00 WT2 H ATOM 31138 OH2 TIP3 4357 -2.508 -4.659 0.600 1.00 0.00 WT2 O ATOM 31139 H1 TIP3 4357 -3.269 28.175 16.091 1.00 0.00 WT2 H ATOM 31140 H2 TIP3 4357 -9.416 -22.221 9.089 1.00 0.00 WT2 H ATOM 31141 OH2 TIP3 4363 -0.186 -2.318 4.292 1.00 0.00 WT2 O ATOM 31142 H1 TIP3 4363 4.582 -5.992 -4.091 1.00 0.00 WT2 H ATOM 31143 H2 TIP3 4363 -4.686 -2.932 -6.396 1.00 0.00 WT2 H ATOM 31144 OH2 TIP3 4373 -2.049 -0.240 4.011 1.00 0.00 WT2 O ATOM 31145 H1 TIP3 4373 -5.580 24.970 12.217 1.00 0.00 WT2 H ATOM 31146 H2 TIP3 4373 19.726 -19.807 20.031 1.00 0.00 WT2 H ATOM 31147 OH2 TIP3 4374 3.467 -1.587 -6.013 1.00 0.00 WT2 O ATOM 31148 H1 TIP3 4374 -7.986 -9.997 -7.967 1.00 0.00 WT2 H ATOM 31149 H2 TIP3 4374 -7.446 12.294 1.355 1.00 0.00 WT2 H ATOM 31150 OH2 TIP3 4387 -3.901 0.009 1.859 1.00 0.00 WT2 O ATOM 31151 H1 TIP3 4387 2.175 -20.492 -14.211 1.00 0.00 WT2 H ATOM 31152 H2 TIP3 4387 -14.702 -3.373 -8.517 1.00 0.00 WT2 H ATOM 31153 OH2 TIP3 4391 5.754 -4.761 4.617 1.00 0.00 WT2 O ATOM 31154 H1 TIP3 4391 11.669 0.065 3.220 1.00 0.00 WT2 H ATOM 31155 H2 TIP3 4391 2.601 17.619 27.687 1.00 0.00 WT2 H ATOM 31156 OH2 TIP3 4392 2.722 -1.116 5.702 1.00 0.00 WT2 O ATOM 31157 H1 TIP3 4392 20.428 -6.772 18.000 1.00 0.00 WT2 H ATOM 31158 H2 TIP3 4392 -4.210 1.775 -6.820 1.00 0.00 WT2 H ATOM 31159 OH2 TIP3 4393 -0.507 4.376 11.486 1.00 0.00 WT2 O ATOM 31160 H1 TIP3 4393 3.248 -7.451 -6.636 1.00 0.00 WT2 H ATOM 31161 H2 TIP3 4393 5.668 -4.963 0.760 1.00 0.00 WT2 H ATOM 31162 OH2 TIP3 4394 -13.081 5.128 -3.677 1.00 0.00 WT2 O ATOM 31163 H1 TIP3 4394 -19.788 -3.208 15.955 1.00 0.00 WT2 H ATOM 31164 H2 TIP3 4394 -19.968 -2.935 16.314 1.00 0.00 WT2 H ATOM 31165 OH2 TIP3 4395 1.285 2.583 5.046 1.00 0.00 WT2 O ATOM 31166 H1 TIP3 4395 1.257 -0.240 -1.064 1.00 0.00 WT2 H ATOM 31167 H2 TIP3 4395 -4.793 13.764 31.766 1.00 0.00 WT2 H ATOM 31168 OH2 TIP3 4399 -2.624 -0.179 -0.428 1.00 0.00 WT2 O ATOM 31169 H1 TIP3 4399 -5.042 -12.653 0.292 1.00 0.00 WT2 H ATOM 31170 H2 TIP3 4399 -9.179 1.648 3.965 1.00 0.00 WT2 H ATOM 31171 OH2 TIP3 4411 -1.443 4.888 -4.374 1.00 0.00 WT2 O ATOM 31172 H1 TIP3 4411 -1.017 -31.700 -8.178 1.00 0.00 WT2 H ATOM 31173 H2 TIP3 4411 -5.755 -17.163 16.770 1.00 0.00 WT2 H ATOM 31174 OH2 TIP3 4414 -3.869 -4.739 7.426 1.00 0.00 WT2 O ATOM 31175 H1 TIP3 4414 -8.640 1.393 3.916 1.00 0.00 WT2 H ATOM 31176 H2 TIP3 4414 3.180 -5.052 0.388 1.00 0.00 WT2 H ATOM 31177 OH2 TIP3 4417 0.324 -0.875 -0.759 1.00 0.00 WT2 O ATOM 31178 H1 TIP3 4417 -10.172 9.394 -5.665 1.00 0.00 WT2 H ATOM 31179 H2 TIP3 4417 -6.764 -7.483 -5.354 1.00 0.00 WT2 H ATOM 31180 OH2 TIP3 4419 5.353 6.253 2.101 1.00 0.00 WT2 O ATOM 31181 H1 TIP3 4419 -7.227 -9.348 -25.105 1.00 0.00 WT2 H ATOM 31182 H2 TIP3 4419 -4.465 27.315 1.034 1.00 0.00 WT2 H ATOM 31183 OH2 TIP3 4432 -0.254 -1.154 2.021 1.00 0.00 WT2 O ATOM 31184 H1 TIP3 4432 10.211 16.903 15.822 1.00 0.00 WT2 H ATOM 31185 H2 TIP3 4432 5.778 14.975 13.904 1.00 0.00 WT2 H ATOM 31186 OH2 TIP3 4434 -10.829 -5.374 7.136 1.00 0.00 WT2 O ATOM 31187 H1 TIP3 4434 -26.467 -23.998 -2.376 1.00 0.00 WT2 H ATOM 31188 H2 TIP3 4434 -3.724 -26.547 -1.861 1.00 0.00 WT2 H ATOM 31189 OH2 TIP3 4435 -0.948 -3.509 4.011 1.00 0.00 WT2 O ATOM 31190 H1 TIP3 4435 5.054 -10.422 10.130 1.00 0.00 WT2 H ATOM 31191 H2 TIP3 4435 -5.999 -0.917 -1.131 1.00 0.00 WT2 H ATOM 31192 OH2 TIP3 4437 2.776 -1.443 -0.141 1.00 0.00 WT2 O ATOM 31193 H1 TIP3 4437 6.828 1.902 9.694 1.00 0.00 WT2 H ATOM 31194 H2 TIP3 4437 -1.984 -6.813 -4.421 1.00 0.00 WT2 H ATOM 31195 OH2 TIP3 4438 -2.958 4.065 2.128 1.00 0.00 WT2 O ATOM 31196 H1 TIP3 4438 1.379 8.006 -0.212 1.00 0.00 WT2 H ATOM 31197 H2 TIP3 4438 4.737 10.328 -0.546 1.00 0.00 WT2 H ATOM 31198 OH2 TIP3 4453 5.618 -4.140 3.430 1.00 0.00 WT2 O ATOM 31199 H1 TIP3 4453 -8.118 -11.767 -2.530 1.00 0.00 WT2 H ATOM 31200 H2 TIP3 4453 15.251 0.650 -8.472 1.00 0.00 WT2 H ATOM 31201 OH2 TIP3 4454 1.015 -6.461 2.577 1.00 0.00 WT2 O ATOM 31202 H1 TIP3 4454 11.072 -4.824 7.311 1.00 0.00 WT2 H ATOM 31203 H2 TIP3 4454 -17.265 -7.696 -10.067 1.00 0.00 WT2 H ATOM 31204 OH2 TIP3 4455 7.638 -4.746 3.791 1.00 0.00 WT2 O ATOM 31205 H1 TIP3 4455 -8.509 5.779 23.768 1.00 0.00 WT2 H ATOM 31206 H2 TIP3 4455 -4.076 1.272 17.379 1.00 0.00 WT2 H ATOM 31207 OH2 TIP3 4457 0.224 2.210 -3.091 1.00 0.00 WT2 O ATOM 31208 H1 TIP3 4457 -1.046 -8.113 0.446 1.00 0.00 WT2 H ATOM 31209 H2 TIP3 4457 17.443 20.926 -0.181 1.00 0.00 WT2 H ATOM 31210 OH2 TIP3 4461 -1.767 -1.512 1.604 1.00 0.00 WT2 O ATOM 31211 H1 TIP3 4461 -6.022 -3.966 -3.064 1.00 0.00 WT2 H ATOM 31212 H2 TIP3 4461 -15.214 11.287 7.592 1.00 0.00 WT2 H ATOM 31213 OH2 TIP3 4473 5.745 -0.658 -1.400 1.00 0.00 WT2 O ATOM 31214 H1 TIP3 4473 16.993 -7.162 15.017 1.00 0.00 WT2 H ATOM 31215 H2 TIP3 4473 8.996 8.473 -9.424 1.00 0.00 WT2 H ATOM 31216 OH2 TIP3 4474 -2.469 -1.854 4.020 1.00 0.00 WT2 O ATOM 31217 H1 TIP3 4474 4.851 -9.796 0.541 1.00 0.00 WT2 H ATOM 31218 H2 TIP3 4474 -24.091 -11.475 0.724 1.00 0.00 WT2 H ATOM 31219 OH2 TIP3 4477 0.237 4.285 -1.720 1.00 0.00 WT2 O ATOM 31220 H1 TIP3 4477 1.529 10.698 0.484 1.00 0.00 WT2 H ATOM 31221 H2 TIP3 4477 -0.558 -4.404 -7.414 1.00 0.00 WT2 H ATOM 31222 OH2 TIP3 4478 1.285 3.696 0.007 1.00 0.00 WT2 O ATOM 31223 H1 TIP3 4478 14.656 -0.415 2.572 1.00 0.00 WT2 H ATOM 31224 H2 TIP3 4478 23.444 -9.422 7.502 1.00 0.00 WT2 H ATOM 31225 OH2 TIP3 4479 3.926 5.332 1.952 1.00 0.00 WT2 O ATOM 31226 H1 TIP3 4479 10.209 9.328 -10.409 1.00 0.00 WT2 H ATOM 31227 H2 TIP3 4479 12.291 -0.255 -1.215 1.00 0.00 WT2 H ATOM 31228 OH2 TIP3 4480 -5.179 -4.462 5.526 1.00 0.00 WT2 O ATOM 31229 H1 TIP3 4480 -3.945 -14.456 -4.322 1.00 0.00 WT2 H ATOM 31230 H2 TIP3 4480 -4.553 -3.730 1.680 1.00 0.00 WT2 H ATOM 31231 OH2 TIP3 4481 -2.281 1.002 -1.629 1.00 0.00 WT2 O ATOM 31232 H1 TIP3 4481 -3.798 -11.087 4.448 1.00 0.00 WT2 H ATOM 31233 H2 TIP3 4481 -3.099 -9.158 -1.007 1.00 0.00 WT2 H ATOM 31234 OH2 TIP3 4496 5.958 1.639 0.317 1.00 0.00 WT2 O ATOM 31235 H1 TIP3 4496 -0.615 -4.829 10.552 1.00 0.00 WT2 H ATOM 31236 H2 TIP3 4496 4.910 6.027 11.222 1.00 0.00 WT2 H ATOM 31237 OH2 TIP3 4497 -5.711 1.116 0.885 1.00 0.00 WT2 O ATOM 31238 H1 TIP3 4497 2.854 -8.267 3.094 1.00 0.00 WT2 H ATOM 31239 H2 TIP3 4497 -1.953 10.168 9.884 1.00 0.00 WT2 H ATOM 31240 OH2 TIP3 4499 -8.378 0.591 1.918 1.00 0.00 WT2 O ATOM 31241 H1 TIP3 4499 -19.736 -5.967 5.797 1.00 0.00 WT2 H ATOM 31242 H2 TIP3 4499 3.488 6.592 -2.015 1.00 0.00 WT2 H ATOM 31243 OH2 TIP3 4500 -7.553 -0.287 0.172 1.00 0.00 WT2 O ATOM 31244 H1 TIP3 4500 -8.984 2.863 11.675 1.00 0.00 WT2 H ATOM 31245 H2 TIP3 4500 -2.384 1.368 1.423 1.00 0.00 WT2 H ATOM 31246 OH2 TIP3 4501 -6.630 -7.006 1.278 1.00 0.00 WT2 O ATOM 31247 H1 TIP3 4501 5.320 -6.002 -6.892 1.00 0.00 WT2 H ATOM 31248 H2 TIP3 4501 -11.335 -8.344 4.390 1.00 0.00 WT2 H ATOM 31249 OH2 TIP3 4513 -2.462 2.981 -2.163 1.00 0.00 WT2 O ATOM 31250 H1 TIP3 4513 -14.504 10.957 10.883 1.00 0.00 WT2 H ATOM 31251 H2 TIP3 4513 -6.030 -16.279 -2.855 1.00 0.00 WT2 H ATOM 31252 OH2 TIP3 4515 -0.736 -3.073 6.342 1.00 0.00 WT2 O ATOM 31253 H1 TIP3 4515 -7.962 -0.601 -2.709 1.00 0.00 WT2 H ATOM 31254 H2 TIP3 4515 -4.139 1.947 -7.355 1.00 0.00 WT2 H ATOM 31255 OH2 TIP3 4516 1.753 -0.892 -2.231 1.00 0.00 WT2 O ATOM 31256 H1 TIP3 4516 -5.118 -9.645 11.787 1.00 0.00 WT2 H ATOM 31257 H2 TIP3 4516 7.403 2.316 -2.830 1.00 0.00 WT2 H ATOM 31258 OH2 TIP3 4517 1.882 -0.687 -6.301 1.00 0.00 WT2 O ATOM 31259 H1 TIP3 4517 9.179 0.138 -4.983 1.00 0.00 WT2 H ATOM 31260 H2 TIP3 4517 -2.961 -10.705 -1.728 1.00 0.00 WT2 H ATOM 31261 OH2 TIP3 4518 -0.379 -3.790 -5.677 1.00 0.00 WT2 O ATOM 31262 H1 TIP3 4518 -20.771 11.305 -10.483 1.00 0.00 WT2 H ATOM 31263 H2 TIP3 4518 1.084 -6.154 -5.220 1.00 0.00 WT2 H ATOM 31264 OH2 TIP3 4519 -10.293 7.201 -0.375 1.00 0.00 WT2 O ATOM 31265 H1 TIP3 4519 -23.698 9.202 8.946 1.00 0.00 WT2 H ATOM 31266 H2 TIP3 4519 15.311 4.688 -6.836 1.00 0.00 WT2 H ATOM 31267 OH2 TIP3 4523 4.005 -4.370 8.317 1.00 0.00 WT2 O ATOM 31268 H1 TIP3 4523 4.340 -4.322 7.384 1.00 0.00 WT2 H ATOM 31269 H2 TIP3 4523 7.980 -13.305 1.653 1.00 0.00 WT2 H ATOM 31270 OH2 TIP3 4524 4.578 -2.247 5.044 1.00 0.00 WT2 O ATOM 31271 H1 TIP3 4524 2.905 0.168 4.111 1.00 0.00 WT2 H ATOM 31272 H2 TIP3 4524 6.876 0.210 -12.298 1.00 0.00 WT2 H ATOM 31273 OH2 TIP3 4536 -0.022 5.350 -0.015 1.00 0.00 WT2 O ATOM 31274 H1 TIP3 4536 -0.268 -16.954 6.389 1.00 0.00 WT2 H ATOM 31275 H2 TIP3 4536 -7.529 -8.148 -11.303 1.00 0.00 WT2 H ATOM 31276 OH2 TIP3 4537 1.476 5.906 0.544 1.00 0.00 WT2 O ATOM 31277 H1 TIP3 4537 9.585 11.471 12.222 1.00 0.00 WT2 H ATOM 31278 H2 TIP3 4537 11.142 -5.607 -29.710 1.00 0.00 WT2 H ATOM 31279 OH2 TIP3 4538 2.470 0.498 -6.559 1.00 0.00 WT2 O ATOM 31280 H1 TIP3 4538 5.774 -2.224 -12.577 1.00 0.00 WT2 H ATOM 31281 H2 TIP3 4538 4.318 -1.106 -10.508 1.00 0.00 WT2 H ATOM 31282 OH2 TIP3 4540 -6.563 -4.024 -2.912 1.00 0.00 WT2 O ATOM 31283 H1 TIP3 4540 -7.876 -9.571 5.348 1.00 0.00 WT2 H ATOM 31284 H2 TIP3 4540 -5.452 -4.260 8.900 1.00 0.00 WT2 H ATOM 31285 OH2 TIP3 4544 -1.642 -2.401 6.229 1.00 0.00 WT2 O ATOM 31286 H1 TIP3 4544 -14.015 -2.650 22.757 1.00 0.00 WT2 H ATOM 31287 H2 TIP3 4544 -10.761 17.890 -9.674 1.00 0.00 WT2 H ATOM 31288 OH2 TIP3 4553 3.546 -2.694 4.543 1.00 0.00 WT2 O ATOM 31289 H1 TIP3 4553 9.770 -3.764 1.508 1.00 0.00 WT2 H ATOM 31290 H2 TIP3 4553 5.518 -2.991 9.224 1.00 0.00 WT2 H ATOM 31291 OH2 TIP3 4558 5.100 2.940 -4.276 1.00 0.00 WT2 O ATOM 31292 H1 TIP3 4558 16.903 -11.889 7.095 1.00 0.00 WT2 H ATOM 31293 H2 TIP3 4558 -15.456 10.790 -17.307 1.00 0.00 WT2 H ATOM 31294 OH2 TIP3 4559 -0.675 -4.452 3.179 1.00 0.00 WT2 O ATOM 31295 H1 TIP3 4559 1.412 -3.874 2.371 1.00 0.00 WT2 H ATOM 31296 H2 TIP3 4559 5.675 -30.988 -35.908 1.00 0.00 WT2 H ATOM 31297 OH2 TIP3 4560 0.311 -2.028 2.982 1.00 0.00 WT2 O ATOM 31298 H1 TIP3 4560 -15.820 0.593 10.052 1.00 0.00 WT2 H ATOM 31299 H2 TIP3 4560 6.285 -14.861 13.816 1.00 0.00 WT2 H ATOM 31300 OH2 TIP3 4561 1.921 -8.682 0.228 1.00 0.00 WT2 O ATOM 31301 H1 TIP3 4561 0.545 -5.973 1.097 1.00 0.00 WT2 H ATOM 31302 H2 TIP3 4561 -6.889 14.598 -5.969 1.00 0.00 WT2 H ATOM 31303 OH2 TIP3 4562 -3.832 5.088 -5.177 1.00 0.00 WT2 O ATOM 31304 H1 TIP3 4562 -7.730 15.303 -21.204 1.00 0.00 WT2 H ATOM 31305 H2 TIP3 4562 2.239 -5.347 14.586 1.00 0.00 WT2 H ATOM 31306 OH2 TIP3 4563 -3.391 -8.354 2.595 1.00 0.00 WT2 O ATOM 31307 H1 TIP3 4563 -6.377 -2.653 -7.137 1.00 0.00 WT2 H ATOM 31308 H2 TIP3 4563 4.664 -4.269 15.676 1.00 0.00 WT2 H ATOM 31309 OH2 TIP3 4565 -4.826 -1.035 3.208 1.00 0.00 WT2 O ATOM 31310 H1 TIP3 4565 -15.578 3.994 1.803 1.00 0.00 WT2 H ATOM 31311 H2 TIP3 4565 -16.649 5.652 2.057 1.00 0.00 WT2 H ATOM 31312 OH2 TIP3 4569 1.960 7.629 2.054 1.00 0.00 WT2 O ATOM 31313 H1 TIP3 4569 28.007 2.580 -5.252 1.00 0.00 WT2 H ATOM 31314 H2 TIP3 4569 2.945 8.100 26.476 1.00 0.00 WT2 H ATOM 31315 OH2 TIP3 4578 -4.881 2.539 -5.911 1.00 0.00 WT2 O ATOM 31316 H1 TIP3 4578 10.083 16.015 0.325 1.00 0.00 WT2 H ATOM 31317 H2 TIP3 4578 -3.209 -1.333 -4.505 1.00 0.00 WT2 H ATOM 31318 OH2 TIP3 4581 2.875 -3.735 -7.780 1.00 0.00 WT2 O ATOM 31319 H1 TIP3 4581 14.362 19.294 -7.794 1.00 0.00 WT2 H ATOM 31320 H2 TIP3 4581 -26.572 13.416 30.182 1.00 0.00 WT2 H ATOM 31321 OH2 TIP3 4582 -2.469 -3.338 -0.529 1.00 0.00 WT2 O ATOM 31322 H1 TIP3 4582 12.656 0.838 4.057 1.00 0.00 WT2 H ATOM 31323 H2 TIP3 4582 -3.661 0.642 -18.878 1.00 0.00 WT2 H ATOM 31324 OH2 TIP3 4586 -3.221 0.417 1.470 1.00 0.00 WT2 O ATOM 31325 H1 TIP3 4586 21.333 10.821 4.091 1.00 0.00 WT2 H ATOM 31326 H2 TIP3 4586 -50.080 -2.688 30.370 1.00 0.00 WT2 H ATOM 31327 OH2 TIP3 4599 -2.751 0.191 -9.739 1.00 0.00 WT2 O ATOM 31328 H1 TIP3 4599 3.569 1.505 -7.443 1.00 0.00 WT2 H ATOM 31329 H2 TIP3 4599 -27.777 -14.855 -14.969 1.00 0.00 WT2 H ATOM 31330 OH2 TIP3 4600 -2.236 3.235 -3.534 1.00 0.00 WT2 O ATOM 31331 H1 TIP3 4600 5.793 -4.107 3.203 1.00 0.00 WT2 H ATOM 31332 H2 TIP3 4600 -12.309 12.630 -16.668 1.00 0.00 WT2 H ATOM 31333 OH2 TIP3 4602 0.424 4.307 6.791 1.00 0.00 WT2 O ATOM 31334 H1 TIP3 4602 -4.037 5.971 1.480 1.00 0.00 WT2 H ATOM 31335 H2 TIP3 4602 1.025 -9.395 9.155 1.00 0.00 WT2 H ATOM 31336 OH2 TIP3 4603 -2.396 5.596 -2.125 1.00 0.00 WT2 O ATOM 31337 H1 TIP3 4603 9.188 -2.280 14.223 1.00 0.00 WT2 H ATOM 31338 H2 TIP3 4603 -5.395 3.021 -1.113 1.00 0.00 WT2 H ATOM 31339 OH2 TIP3 4621 2.021 0.339 1.460 1.00 0.00 WT2 O ATOM 31340 H1 TIP3 4621 -0.175 16.034 -3.205 1.00 0.00 WT2 H ATOM 31341 H2 TIP3 4621 5.190 3.677 19.318 1.00 0.00 WT2 H ATOM 31342 OH2 TIP3 4622 8.632 -1.257 -0.624 1.00 0.00 WT2 O ATOM 31343 H1 TIP3 4622 -14.947 5.940 21.462 1.00 0.00 WT2 H ATOM 31344 H2 TIP3 4622 26.609 0.808 -25.958 1.00 0.00 WT2 H ATOM 31345 OH2 TIP3 4623 -2.824 -2.235 -0.969 1.00 0.00 WT2 O ATOM 31346 H1 TIP3 4623 -4.386 -1.876 1.236 1.00 0.00 WT2 H ATOM 31347 H2 TIP3 4623 -7.254 -3.279 -3.236 1.00 0.00 WT2 H ATOM 31348 OH2 TIP3 4625 1.499 4.270 1.756 1.00 0.00 WT2 O ATOM 31349 H1 TIP3 4625 -7.324 2.929 15.445 1.00 0.00 WT2 H ATOM 31350 H2 TIP3 4625 -8.942 12.679 -9.547 1.00 0.00 WT2 H ATOM 31351 OH2 TIP3 4627 -0.721 -2.579 0.633 1.00 0.00 WT2 O ATOM 31352 H1 TIP3 4627 11.341 28.204 -1.178 1.00 0.00 WT2 H ATOM 31353 H2 TIP3 4627 -0.875 -2.151 10.326 1.00 0.00 WT2 H ATOM 31354 OH2 TIP3 4628 0.952 -6.170 -1.510 1.00 0.00 WT2 O ATOM 31355 H1 TIP3 4628 -2.032 0.346 -1.321 1.00 0.00 WT2 H ATOM 31356 H2 TIP3 4628 2.736 -9.245 0.766 1.00 0.00 WT2 H ATOM 31357 OH2 TIP3 4641 7.471 -8.210 -6.137 1.00 0.00 WT2 O ATOM 31358 H1 TIP3 4641 -4.238 -17.460 -1.691 1.00 0.00 WT2 H ATOM 31359 H2 TIP3 4641 -7.931 4.218 -25.215 1.00 0.00 WT2 H ATOM 31360 OH2 TIP3 4643 -3.302 3.856 2.449 1.00 0.00 WT2 O ATOM 31361 H1 TIP3 4643 9.577 2.843 0.672 1.00 0.00 WT2 H ATOM 31362 H2 TIP3 4643 13.531 20.266 -6.222 1.00 0.00 WT2 H ATOM 31363 OH2 TIP3 4644 4.165 -3.614 0.232 1.00 0.00 WT2 O ATOM 31364 H1 TIP3 4644 18.486 6.808 -14.914 1.00 0.00 WT2 H ATOM 31365 H2 TIP3 4644 37.011 26.876 27.709 1.00 0.00 WT2 H ATOM 31366 OH2 TIP3 4645 0.720 0.534 3.731 1.00 0.00 WT2 O ATOM 31367 H1 TIP3 4645 12.291 -3.845 2.228 1.00 0.00 WT2 H ATOM 31368 H2 TIP3 4645 -3.902 -11.593 2.066 1.00 0.00 WT2 H ATOM 31369 OH2 TIP3 4647 -1.136 1.071 1.179 1.00 0.00 WT2 O ATOM 31370 H1 TIP3 4647 -4.276 0.470 -52.276 1.00 0.00 WT2 H ATOM 31371 H2 TIP3 4647 -17.850 -3.205 5.752 1.00 0.00 WT2 H ATOM 31372 OH2 TIP3 4648 1.055 -4.208 -0.805 1.00 0.00 WT2 O ATOM 31373 H1 TIP3 4648 7.951 -5.370 4.696 1.00 0.00 WT2 H ATOM 31374 H2 TIP3 4648 20.722 9.691 26.952 1.00 0.00 WT2 H ATOM 31375 OH2 TIP3 4661 -0.137 -4.285 7.715 1.00 0.00 WT2 O ATOM 31376 H1 TIP3 4661 -14.399 1.168 -3.988 1.00 0.00 WT2 H ATOM 31377 H2 TIP3 4661 5.136 -5.329 -18.897 1.00 0.00 WT2 H ATOM 31378 OH2 TIP3 4663 0.249 -1.823 3.831 1.00 0.00 WT2 O ATOM 31379 H1 TIP3 4663 5.714 14.761 -1.453 1.00 0.00 WT2 H ATOM 31380 H2 TIP3 4663 10.818 -13.707 -5.401 1.00 0.00 WT2 H ATOM 31381 OH2 TIP3 4664 -1.793 -2.235 5.265 1.00 0.00 WT2 O ATOM 31382 H1 TIP3 4664 6.011 -1.291 8.094 1.00 0.00 WT2 H ATOM 31383 H2 TIP3 4664 -4.144 -4.495 3.101 1.00 0.00 WT2 H ATOM 31384 OH2 TIP3 4665 -0.203 -7.596 -0.680 1.00 0.00 WT2 O ATOM 31385 H1 TIP3 4665 2.130 -11.060 -6.362 1.00 0.00 WT2 H ATOM 31386 H2 TIP3 4665 -9.043 -5.578 1.439 1.00 0.00 WT2 H ATOM 31387 OH2 TIP3 4666 3.322 6.214 -5.214 1.00 0.00 WT2 O ATOM 31388 H1 TIP3 4666 12.342 -11.925 -2.572 1.00 0.00 WT2 H ATOM 31389 H2 TIP3 4666 -0.522 11.402 -20.196 1.00 0.00 WT2 H ATOM 31390 OH2 TIP3 4667 -4.017 1.071 -9.275 1.00 0.00 WT2 O ATOM 31391 H1 TIP3 4667 4.968 0.991 -11.039 1.00 0.00 WT2 H ATOM 31392 H2 TIP3 4667 -28.967 -7.136 1.572 1.00 0.00 WT2 H ATOM 31393 OH2 TIP3 4668 1.709 3.510 -1.253 1.00 0.00 WT2 O ATOM 31394 H1 TIP3 4668 -5.378 -13.666 -3.964 1.00 0.00 WT2 H ATOM 31395 H2 TIP3 4668 0.243 4.630 -3.709 1.00 0.00 WT2 H ATOM 31396 OH2 TIP3 4670 2.402 4.999 6.101 1.00 0.00 WT2 O ATOM 31397 H1 TIP3 4670 4.759 10.678 4.580 1.00 0.00 WT2 H ATOM 31398 H2 TIP3 4670 1.005 12.537 -1.465 1.00 0.00 WT2 H ATOM 31399 OH2 TIP3 4673 -0.267 2.140 -1.637 1.00 0.00 WT2 O ATOM 31400 H1 TIP3 4673 12.023 7.703 0.401 1.00 0.00 WT2 H ATOM 31401 H2 TIP3 4673 -5.759 10.084 -0.111 1.00 0.00 WT2 H ATOM 31402 OH2 TIP3 4675 2.389 -4.594 -0.606 1.00 0.00 WT2 O ATOM 31403 H1 TIP3 4675 3.736 0.812 7.578 1.00 0.00 WT2 H ATOM 31404 H2 TIP3 4675 3.751 3.548 3.042 1.00 0.00 WT2 H ATOM 31405 OH2 TIP3 4685 7.319 -0.837 1.849 1.00 0.00 WT2 O ATOM 31406 H1 TIP3 4685 10.495 -5.678 36.107 1.00 0.00 WT2 H ATOM 31407 H2 TIP3 4685 -4.456 0.186 -28.996 1.00 0.00 WT2 H ATOM 31408 OH2 TIP3 4686 0.007 1.592 6.577 1.00 0.00 WT2 O ATOM 31409 H1 TIP3 4686 -13.112 0.065 -14.571 1.00 0.00 WT2 H ATOM 31410 H2 TIP3 4686 -0.538 -7.320 -2.754 1.00 0.00 WT2 H ATOM 31411 OH2 TIP3 4687 0.503 -2.437 2.870 1.00 0.00 WT2 O ATOM 31412 H1 TIP3 4687 5.617 0.122 11.442 1.00 0.00 WT2 H ATOM 31413 H2 TIP3 4687 -10.789 -0.555 -16.019 1.00 0.00 WT2 H ATOM 31414 OH2 TIP3 4690 0.145 -3.417 -2.512 1.00 0.00 WT2 O ATOM 31415 H1 TIP3 4690 -6.619 -17.105 23.314 1.00 0.00 WT2 H ATOM 31416 H2 TIP3 4690 -2.032 -12.578 8.540 1.00 0.00 WT2 H ATOM 31417 OH2 TIP3 4694 -0.786 1.213 -1.698 1.00 0.00 WT2 O ATOM 31418 H1 TIP3 4694 3.556 5.333 -7.831 1.00 0.00 WT2 H ATOM 31419 H2 TIP3 4694 0.682 -12.788 17.710 1.00 0.00 WT2 H ATOM 31420 OH2 TIP3 4704 -0.470 -4.433 5.939 1.00 0.00 WT2 O ATOM 31421 H1 TIP3 4704 2.934 -15.710 5.043 1.00 0.00 WT2 H ATOM 31422 H2 TIP3 4704 -3.737 -13.067 16.781 1.00 0.00 WT2 H ATOM 31423 OH2 TIP3 4706 -0.607 7.221 -3.676 1.00 0.00 WT2 O ATOM 31424 H1 TIP3 4706 -8.267 18.750 -3.522 1.00 0.00 WT2 H ATOM 31425 H2 TIP3 4706 4.191 -15.519 23.244 1.00 0.00 WT2 H ATOM 31426 OH2 TIP3 4707 -2.550 -0.504 -3.633 1.00 0.00 WT2 O ATOM 31427 H1 TIP3 4707 -3.762 -18.607 5.238 1.00 0.00 WT2 H ATOM 31428 H2 TIP3 4707 3.834 7.786 6.067 1.00 0.00 WT2 H ATOM 31429 OH2 TIP3 4708 8.498 3.259 0.462 1.00 0.00 WT2 O ATOM 31430 H1 TIP3 4708 -5.592 -0.593 6.964 1.00 0.00 WT2 H ATOM 31431 H2 TIP3 4708 8.967 2.080 -2.369 1.00 0.00 WT2 H ATOM 31432 OH2 TIP3 4710 2.237 -2.459 3.660 1.00 0.00 WT2 O ATOM 31433 H1 TIP3 4710 0.159 -0.101 -18.402 1.00 0.00 WT2 H ATOM 31434 H2 TIP3 4710 8.940 -0.809 7.558 1.00 0.00 WT2 H ATOM 31435 OH2 TIP3 4713 2.418 0.943 -0.141 1.00 0.00 WT2 O ATOM 31436 H1 TIP3 4713 -7.643 -0.571 -1.252 1.00 0.00 WT2 H ATOM 31437 H2 TIP3 4713 -0.978 -1.056 -22.200 1.00 0.00 WT2 H ATOM 31438 OH2 TIP3 4725 -0.646 -0.472 6.572 1.00 0.00 WT2 O ATOM 31439 H1 TIP3 4725 -3.523 3.976 9.178 1.00 0.00 WT2 H ATOM 31440 H2 TIP3 4725 -5.693 -20.899 12.688 1.00 0.00 WT2 H ATOM 31441 OH2 TIP3 4727 1.823 3.230 2.428 1.00 0.00 WT2 O ATOM 31442 H1 TIP3 4727 -4.169 -9.656 15.760 1.00 0.00 WT2 H ATOM 31443 H2 TIP3 4727 -0.548 27.832 -13.219 1.00 0.00 WT2 H ATOM 31444 OH2 TIP3 4732 -2.943 3.280 6.244 1.00 0.00 WT2 O ATOM 31445 H1 TIP3 4732 0.805 1.059 14.351 1.00 0.00 WT2 H ATOM 31446 H2 TIP3 4732 0.425 -11.517 5.636 1.00 0.00 WT2 H ATOM 31447 OH2 TIP3 4748 -1.141 1.697 1.972 1.00 0.00 WT2 O ATOM 31448 H1 TIP3 4748 -1.410 -0.771 -5.074 1.00 0.00 WT2 H ATOM 31449 H2 TIP3 4748 -3.482 6.801 9.950 1.00 0.00 WT2 H ATOM 31450 OH2 TIP3 4750 -1.579 -1.449 5.426 1.00 0.00 WT2 O ATOM 31451 H1 TIP3 4750 -15.229 -8.656 6.006 1.00 0.00 WT2 H ATOM 31452 H2 TIP3 4750 7.483 -11.421 -0.659 1.00 0.00 WT2 H ATOM 31453 OH2 TIP3 4751 -2.409 2.033 3.039 1.00 0.00 WT2 O ATOM 31454 H1 TIP3 4751 -13.954 -3.185 -0.765 1.00 0.00 WT2 H ATOM 31455 H2 TIP3 4751 10.297 11.798 18.950 1.00 0.00 WT2 H ATOM 31456 OH2 TIP3 4767 -2.028 -4.265 9.912 1.00 0.00 WT2 O ATOM 31457 H1 TIP3 4767 0.823 -1.021 6.606 1.00 0.00 WT2 H ATOM 31458 H2 TIP3 4767 0.818 -7.921 10.949 1.00 0.00 WT2 H ATOM 31459 OH2 TIP3 4768 3.292 0.114 2.029 1.00 0.00 WT2 O ATOM 31460 H1 TIP3 4768 -5.320 -4.263 5.595 1.00 0.00 WT2 H ATOM 31461 H2 TIP3 4768 5.252 0.142 1.752 1.00 0.00 WT2 H ATOM 31462 OH2 TIP3 4770 -0.841 1.663 3.692 1.00 0.00 WT2 O ATOM 31463 H1 TIP3 4770 -1.370 15.413 6.434 1.00 0.00 WT2 H ATOM 31464 H2 TIP3 4770 -4.040 6.263 8.412 1.00 0.00 WT2 H ATOM 31465 OH2 TIP3 4774 -2.758 -2.904 -0.426 1.00 0.00 WT2 O ATOM 31466 H1 TIP3 4774 10.114 12.146 1.949 1.00 0.00 WT2 H ATOM 31467 H2 TIP3 4774 -21.199 -17.202 5.789 1.00 0.00 WT2 H ATOM 31468 OH2 TIP3 4787 3.032 -1.351 0.405 1.00 0.00 WT2 O ATOM 31469 H1 TIP3 4787 2.680 -15.868 10.445 1.00 0.00 WT2 H ATOM 31470 H2 TIP3 4787 -4.655 -4.736 4.800 1.00 0.00 WT2 H ATOM 31471 OH2 TIP3 4790 5.512 -4.294 0.709 1.00 0.00 WT2 O ATOM 31472 H1 TIP3 4790 27.292 -12.320 -5.775 1.00 0.00 WT2 H ATOM 31473 H2 TIP3 4790 -4.589 -3.563 1.177 1.00 0.00 WT2 H ATOM 31474 OH2 TIP3 4791 -7.198 -4.454 -4.784 1.00 0.00 WT2 O ATOM 31475 H1 TIP3 4791 -11.071 -1.113 -15.162 1.00 0.00 WT2 H ATOM 31476 H2 TIP3 4791 -20.354 -26.106 -1.388 1.00 0.00 WT2 H ATOM 31477 OH2 TIP3 4792 -7.084 -3.095 4.881 1.00 0.00 WT2 O ATOM 31478 H1 TIP3 4792 -0.685 -13.930 -5.804 1.00 0.00 WT2 H ATOM 31479 H2 TIP3 4792 -4.560 -10.178 -1.063 1.00 0.00 WT2 H ATOM 31480 OH2 TIP3 4793 2.398 6.301 2.515 1.00 0.00 WT2 O ATOM 31481 H1 TIP3 4793 24.023 -21.574 4.386 1.00 0.00 WT2 H ATOM 31482 H2 TIP3 4793 -16.958 14.865 -6.749 1.00 0.00 WT2 H ATOM 31483 OH2 TIP3 4794 -1.670 -2.263 1.590 1.00 0.00 WT2 O ATOM 31484 H1 TIP3 4794 2.386 -5.563 2.517 1.00 0.00 WT2 H ATOM 31485 H2 TIP3 4794 5.733 10.742 -18.394 1.00 0.00 WT2 H ATOM 31486 OH2 TIP3 4808 4.515 8.308 0.277 1.00 0.00 WT2 O ATOM 31487 H1 TIP3 4808 -3.707 3.034 4.480 1.00 0.00 WT2 H ATOM 31488 H2 TIP3 4808 -22.217 -9.008 -8.732 1.00 0.00 WT2 H ATOM 31489 OH2 TIP3 4809 -2.136 -2.467 1.074 1.00 0.00 WT2 O ATOM 31490 H1 TIP3 4809 3.840 7.683 3.191 1.00 0.00 WT2 H ATOM 31491 H2 TIP3 4809 -3.608 -7.367 -4.555 1.00 0.00 WT2 H ATOM 31492 OH2 TIP3 4811 5.816 -8.374 2.139 1.00 0.00 WT2 O ATOM 31493 H1 TIP3 4811 14.223 7.158 -21.178 1.00 0.00 WT2 H ATOM 31494 H2 TIP3 4811 -3.002 -21.424 1.696 1.00 0.00 WT2 H ATOM 31495 OH2 TIP3 4813 4.328 -7.167 3.444 1.00 0.00 WT2 O ATOM 31496 H1 TIP3 4813 -4.515 8.720 10.206 1.00 0.00 WT2 H ATOM 31497 H2 TIP3 4813 -1.339 -7.956 -1.057 1.00 0.00 WT2 H ATOM 31498 OH2 TIP3 4816 2.408 2.680 3.358 1.00 0.00 WT2 O ATOM 31499 H1 TIP3 4816 5.418 4.361 -4.001 1.00 0.00 WT2 H ATOM 31500 H2 TIP3 4816 7.747 0.201 -7.348 1.00 0.00 WT2 H ATOM 31501 OH2 TIP3 4832 -4.266 -5.141 1.825 1.00 0.00 WT2 O ATOM 31502 H1 TIP3 4832 -0.856 -8.807 -0.024 1.00 0.00 WT2 H ATOM 31503 H2 TIP3 4832 -6.897 4.363 -3.196 1.00 0.00 WT2 H ATOM 31504 OH2 TIP3 4834 -2.550 -0.754 -5.007 1.00 0.00 WT2 O ATOM 31505 H1 TIP3 4834 25.012 13.904 11.668 1.00 0.00 WT2 H ATOM 31506 H2 TIP3 4834 -4.239 21.347 -3.728 1.00 0.00 WT2 H ATOM 31507 OH2 TIP3 4835 -2.614 -4.735 7.324 1.00 0.00 WT2 O ATOM 31508 H1 TIP3 4835 5.803 -16.581 11.912 1.00 0.00 WT2 H ATOM 31509 H2 TIP3 4835 -14.574 14.885 -3.915 1.00 0.00 WT2 H ATOM 31510 OH2 TIP3 4836 -1.601 0.327 4.423 1.00 0.00 WT2 O ATOM 31511 H1 TIP3 4836 -6.624 6.922 -1.102 1.00 0.00 WT2 H ATOM 31512 H2 TIP3 4836 6.236 1.954 4.200 1.00 0.00 WT2 H ATOM 31513 OH2 TIP3 4839 -6.217 -3.649 -5.917 1.00 0.00 WT2 O ATOM 31514 H1 TIP3 4839 -3.403 -29.261 -14.822 1.00 0.00 WT2 H ATOM 31515 H2 TIP3 4839 -24.478 12.187 12.139 1.00 0.00 WT2 H ATOM 31516 OH2 TIP3 4841 -2.262 4.452 3.373 1.00 0.00 WT2 O ATOM 31517 H1 TIP3 4841 -19.377 2.315 -21.367 1.00 0.00 WT2 H ATOM 31518 H2 TIP3 4841 1.872 5.437 8.520 1.00 0.00 WT2 H ATOM 31519 OH2 TIP3 4849 1.043 -0.387 9.422 1.00 0.00 WT2 O ATOM 31520 H1 TIP3 4849 -5.138 -1.108 12.053 1.00 0.00 WT2 H ATOM 31521 H2 TIP3 4849 0.516 -1.724 12.635 1.00 0.00 WT2 H ATOM 31522 OH2 TIP3 4851 -4.600 1.492 -1.067 1.00 0.00 WT2 O ATOM 31523 H1 TIP3 4851 -3.044 3.159 0.695 1.00 0.00 WT2 H ATOM 31524 H2 TIP3 4851 5.614 -3.254 -4.705 1.00 0.00 WT2 H ATOM 31525 OH2 TIP3 4853 5.746 6.227 -1.200 1.00 0.00 WT2 O ATOM 31526 H1 TIP3 4853 14.152 -2.200 17.460 1.00 0.00 WT2 H ATOM 31527 H2 TIP3 4853 10.659 -3.181 -14.413 1.00 0.00 WT2 H ATOM 31528 OH2 TIP3 4854 -3.206 0.129 -2.919 1.00 0.00 WT2 O ATOM 31529 H1 TIP3 4854 -11.879 14.141 -6.867 1.00 0.00 WT2 H ATOM 31530 H2 TIP3 4854 9.922 13.626 -5.881 1.00 0.00 WT2 H ATOM 31531 OH2 TIP3 4855 -5.766 0.974 -3.263 1.00 0.00 WT2 O ATOM 31532 H1 TIP3 4855 -5.469 8.569 -1.901 1.00 0.00 WT2 H ATOM 31533 H2 TIP3 4855 -4.000 6.590 -1.053 1.00 0.00 WT2 H ATOM 31534 OH2 TIP3 4857 -2.065 2.909 3.145 1.00 0.00 WT2 O ATOM 31535 H1 TIP3 4857 -2.788 2.976 3.331 1.00 0.00 WT2 H ATOM 31536 H2 TIP3 4857 0.401 3.070 1.470 1.00 0.00 WT2 H ATOM 31537 OH2 TIP3 4859 -1.696 1.957 -1.566 1.00 0.00 WT2 O ATOM 31538 H1 TIP3 4859 -2.647 10.395 21.483 1.00 0.00 WT2 H ATOM 31539 H2 TIP3 4859 -27.492 2.125 -17.242 1.00 0.00 WT2 H ATOM 31540 OH2 TIP3 4863 2.660 0.918 -0.917 1.00 0.00 WT2 O ATOM 31541 H1 TIP3 4863 0.172 -6.037 -5.114 1.00 0.00 WT2 H ATOM 31542 H2 TIP3 4863 9.216 -2.967 4.486 1.00 0.00 WT2 H ATOM 31543 OH2 TIP3 4872 4.543 -0.465 1.821 1.00 0.00 WT2 O ATOM 31544 H1 TIP3 4872 -14.156 33.656 -14.570 1.00 0.00 WT2 H ATOM 31545 H2 TIP3 4872 5.129 27.258 17.831 1.00 0.00 WT2 H ATOM 31546 OH2 TIP3 4875 -7.058 5.192 3.600 1.00 0.00 WT2 O ATOM 31547 H1 TIP3 4875 4.137 5.578 4.250 1.00 0.00 WT2 H ATOM 31548 H2 TIP3 4875 -17.892 15.541 3.060 1.00 0.00 WT2 H ATOM 31549 OH2 TIP3 4876 2.166 -1.805 -4.435 1.00 0.00 WT2 O ATOM 31550 H1 TIP3 4876 4.300 -13.715 6.874 1.00 0.00 WT2 H ATOM 31551 H2 TIP3 4876 6.717 -8.539 1.981 1.00 0.00 WT2 H ATOM 31552 OH2 TIP3 4877 -1.040 -3.855 -3.429 1.00 0.00 WT2 O ATOM 31553 H1 TIP3 4877 11.819 -18.055 -11.315 1.00 0.00 WT2 H ATOM 31554 H2 TIP3 4877 1.218 -5.329 -4.744 1.00 0.00 WT2 H ATOM 31555 OH2 TIP3 4879 -1.158 1.206 -2.128 1.00 0.00 WT2 O ATOM 31556 H1 TIP3 4879 18.667 12.341 2.843 1.00 0.00 WT2 H ATOM 31557 H2 TIP3 4879 5.409 -21.836 -14.369 1.00 0.00 WT2 H ATOM 31558 OH2 TIP3 4890 -0.592 -1.294 -2.845 1.00 0.00 WT2 O ATOM 31559 H1 TIP3 4890 -8.311 3.024 -22.489 1.00 0.00 WT2 H ATOM 31560 H2 TIP3 4890 2.385 -1.835 10.911 1.00 0.00 WT2 H ATOM 31561 OH2 TIP3 4896 4.968 -3.319 -4.358 1.00 0.00 WT2 O ATOM 31562 H1 TIP3 4896 5.523 5.819 26.138 1.00 0.00 WT2 H ATOM 31563 H2 TIP3 4896 10.225 -17.104 -24.801 1.00 0.00 WT2 H ATOM 31564 OH2 TIP3 4897 -9.909 1.843 -3.784 1.00 0.00 WT2 O ATOM 31565 H1 TIP3 4897 -13.377 10.149 -14.958 1.00 0.00 WT2 H ATOM 31566 H2 TIP3 4897 0.296 7.200 6.369 1.00 0.00 WT2 H ATOM 31567 OH2 TIP3 4898 -4.018 -4.433 -5.859 1.00 0.00 WT2 O ATOM 31568 H1 TIP3 4898 -9.008 32.474 -13.802 1.00 0.00 WT2 H ATOM 31569 H2 TIP3 4898 -7.325 -32.559 15.284 1.00 0.00 WT2 H ATOM 31570 OH2 TIP3 4899 -2.680 -3.131 -2.810 1.00 0.00 WT2 O ATOM 31571 H1 TIP3 4899 -7.027 -4.167 7.365 1.00 0.00 WT2 H ATOM 31572 H2 TIP3 4899 2.805 0.686 -15.848 1.00 0.00 WT2 H ATOM 31573 OH2 TIP3 4904 -6.580 -0.533 -5.509 1.00 0.00 WT2 O ATOM 31574 H1 TIP3 4904 -4.719 -4.173 -9.960 1.00 0.00 WT2 H ATOM 31575 H2 TIP3 4904 -7.178 -0.836 -5.603 1.00 0.00 WT2 H ATOM 31576 OH2 TIP3 4914 5.225 -1.307 4.622 1.00 0.00 WT2 O ATOM 31577 H1 TIP3 4914 6.416 -1.692 4.139 1.00 0.00 WT2 H ATOM 31578 H2 TIP3 4914 4.057 -0.454 5.994 1.00 0.00 WT2 H ATOM 31579 OH2 TIP3 4915 -0.391 3.606 1.986 1.00 0.00 WT2 O ATOM 31580 H1 TIP3 4915 -7.655 -0.121 2.140 1.00 0.00 WT2 H ATOM 31581 H2 TIP3 4915 6.374 0.902 -4.785 1.00 0.00 WT2 H ATOM 31582 OH2 TIP3 4916 -0.340 7.924 1.448 1.00 0.00 WT2 O ATOM 31583 H1 TIP3 4916 6.242 -5.333 -1.954 1.00 0.00 WT2 H ATOM 31584 H2 TIP3 4916 8.413 -6.336 -6.702 1.00 0.00 WT2 H ATOM 31585 OH2 TIP3 4918 0.397 -3.330 -1.679 1.00 0.00 WT2 O ATOM 31586 H1 TIP3 4918 13.694 -0.207 2.557 1.00 0.00 WT2 H ATOM 31587 H2 TIP3 4918 -9.669 10.711 3.642 1.00 0.00 WT2 H ATOM 31588 OH2 TIP3 4919 3.862 -0.102 2.714 1.00 0.00 WT2 O ATOM 31589 H1 TIP3 4919 -27.996 -17.517 11.987 1.00 0.00 WT2 H ATOM 31590 H2 TIP3 4919 5.063 -19.832 -20.649 1.00 0.00 WT2 H ATOM 31591 OH2 TIP3 4921 2.831 -1.053 -6.203 1.00 0.00 WT2 O ATOM 31592 H1 TIP3 4921 15.061 16.559 1.814 1.00 0.00 WT2 H ATOM 31593 H2 TIP3 4921 9.560 -5.907 -4.955 1.00 0.00 WT2 H ATOM 31594 OH2 TIP3 4922 -2.892 4.737 -10.955 1.00 0.00 WT2 O ATOM 31595 H1 TIP3 4922 -22.898 7.756 11.119 1.00 0.00 WT2 H ATOM 31596 H2 TIP3 4922 -2.286 6.721 0.736 1.00 0.00 WT2 H ATOM 31597 OH2 TIP3 4924 -0.191 -0.791 -1.174 1.00 0.00 WT2 O ATOM 31598 H1 TIP3 4924 -3.479 12.934 -1.629 1.00 0.00 WT2 H ATOM 31599 H2 TIP3 4924 0.790 -9.193 1.669 1.00 0.00 WT2 H ATOM 31600 OH2 TIP3 4934 -1.816 -5.033 4.428 1.00 0.00 WT2 O ATOM 31601 H1 TIP3 4934 9.370 -1.467 -9.920 1.00 0.00 WT2 H ATOM 31602 H2 TIP3 4934 -2.232 -2.255 -2.865 1.00 0.00 WT2 H ATOM 31603 OH2 TIP3 4935 -1.024 3.333 0.847 1.00 0.00 WT2 O ATOM 31604 H1 TIP3 4935 6.927 -0.617 8.059 1.00 0.00 WT2 H ATOM 31605 H2 TIP3 4935 -2.226 5.868 -0.565 1.00 0.00 WT2 H ATOM 31606 OH2 TIP3 4936 7.709 -1.102 3.273 1.00 0.00 WT2 O ATOM 31607 H1 TIP3 4936 -5.001 7.929 -8.366 1.00 0.00 WT2 H ATOM 31608 H2 TIP3 4936 -5.200 5.890 -4.448 1.00 0.00 WT2 H ATOM 31609 OH2 TIP3 4937 2.070 4.304 0.592 1.00 0.00 WT2 O ATOM 31610 H1 TIP3 4937 -5.955 21.115 -11.568 1.00 0.00 WT2 H ATOM 31611 H2 TIP3 4937 -32.754 -13.646 7.234 1.00 0.00 WT2 H ATOM 31612 OH2 TIP3 4939 1.804 1.603 5.538 1.00 0.00 WT2 O ATOM 31613 H1 TIP3 4939 -16.747 -1.383 -11.538 1.00 0.00 WT2 H ATOM 31614 H2 TIP3 4939 16.288 11.453 -4.737 1.00 0.00 WT2 H ATOM 31615 OH2 TIP3 4942 0.110 2.317 -4.122 1.00 0.00 WT2 O ATOM 31616 H1 TIP3 4942 3.841 25.260 18.159 1.00 0.00 WT2 H ATOM 31617 H2 TIP3 4942 -7.655 11.766 2.633 1.00 0.00 WT2 H ATOM 31618 OH2 TIP3 4956 -1.591 2.296 0.975 1.00 0.00 WT2 O ATOM 31619 H1 TIP3 4956 -2.493 14.054 2.548 1.00 0.00 WT2 H ATOM 31620 H2 TIP3 4956 6.449 -2.808 1.385 1.00 0.00 WT2 H ATOM 31621 OH2 TIP3 4957 -3.686 -1.082 1.129 1.00 0.00 WT2 O ATOM 31622 H1 TIP3 4957 1.177 -13.853 -1.027 1.00 0.00 WT2 H ATOM 31623 H2 TIP3 4957 4.559 35.399 15.601 1.00 0.00 WT2 H ATOM 31624 OH2 TIP3 4962 -3.227 -3.356 -2.819 1.00 0.00 WT2 O ATOM 31625 H1 TIP3 4962 9.523 0.299 3.449 1.00 0.00 WT2 H ATOM 31626 H2 TIP3 4962 -4.068 15.964 4.491 1.00 0.00 WT2 H ATOM 31627 OH2 TIP3 4963 -3.261 -1.677 4.465 1.00 0.00 WT2 O ATOM 31628 H1 TIP3 4963 17.726 0.357 0.713 1.00 0.00 WT2 H ATOM 31629 H2 TIP3 4963 4.197 19.949 2.043 1.00 0.00 WT2 H ATOM 31630 OH2 TIP3 4965 -0.989 0.941 -2.663 1.00 0.00 WT2 O ATOM 31631 H1 TIP3 4965 -5.364 29.290 -10.477 1.00 0.00 WT2 H ATOM 31632 H2 TIP3 4965 0.960 -11.534 1.658 1.00 0.00 WT2 H ATOM 31633 OH2 TIP3 4978 -3.511 0.392 -2.144 1.00 0.00 WT2 O ATOM 31634 H1 TIP3 4978 -13.388 -9.803 -7.424 1.00 0.00 WT2 H ATOM 31635 H2 TIP3 4978 3.791 9.530 -0.581 1.00 0.00 WT2 H ATOM 31636 OH2 TIP3 4980 -5.862 -3.769 -2.955 1.00 0.00 WT2 O ATOM 31637 H1 TIP3 4980 -12.121 -8.056 -10.341 1.00 0.00 WT2 H ATOM 31638 H2 TIP3 4980 18.707 7.889 -4.994 1.00 0.00 WT2 H ATOM 31639 OH2 TIP3 4981 -5.589 -4.012 -3.878 1.00 0.00 WT2 O ATOM 31640 H1 TIP3 4981 -3.738 18.850 10.309 1.00 0.00 WT2 H ATOM 31641 H2 TIP3 4981 -8.537 3.206 1.498 1.00 0.00 WT2 H ATOM 31642 OH2 TIP3 4982 -2.432 0.073 2.671 1.00 0.00 WT2 O ATOM 31643 H1 TIP3 4982 12.961 8.900 -10.053 1.00 0.00 WT2 H ATOM 31644 H2 TIP3 4982 5.778 -0.651 0.589 1.00 0.00 WT2 H ATOM 31645 OH2 TIP3 4983 3.256 -2.952 -2.561 1.00 0.00 WT2 O ATOM 31646 H1 TIP3 4983 19.377 -2.320 5.102 1.00 0.00 WT2 H ATOM 31647 H2 TIP3 4983 19.697 -5.691 -21.964 1.00 0.00 WT2 H ATOM 31648 OH2 TIP3 4985 0.714 -2.321 -10.141 1.00 0.00 WT2 O ATOM 31649 H1 TIP3 4985 2.307 9.098 18.797 1.00 0.00 WT2 H ATOM 31650 H2 TIP3 4985 11.418 -30.875 -6.931 1.00 0.00 WT2 H ATOM 31651 OH2 TIP3 4996 -2.511 2.708 -1.763 1.00 0.00 WT2 O ATOM 31652 H1 TIP3 4996 2.519 -9.411 -8.759 1.00 0.00 WT2 H ATOM 31653 H2 TIP3 4996 -6.563 13.675 4.047 1.00 0.00 WT2 H ATOM 31654 OH2 TIP3 4998 -4.192 1.956 3.740 1.00 0.00 WT2 O ATOM 31655 H1 TIP3 4998 -3.280 3.783 10.266 1.00 0.00 WT2 H ATOM 31656 H2 TIP3 4998 12.862 -3.336 32.776 1.00 0.00 WT2 H ATOM 31657 OH2 TIP3 4999 -1.473 -0.084 1.215 1.00 0.00 WT2 O ATOM 31658 H1 TIP3 4999 2.232 1.815 -2.911 1.00 0.00 WT2 H ATOM 31659 H2 TIP3 4999 -25.354 27.449 33.799 1.00 0.00 WT2 H ATOM 31660 OH2 TIP3 5000 -8.276 6.193 2.113 1.00 0.00 WT2 O ATOM 31661 H1 TIP3 5000 -12.061 -3.673 3.148 1.00 0.00 WT2 H ATOM 31662 H2 TIP3 5000 -4.584 15.037 1.906 1.00 0.00 WT2 H ATOM 31663 OH2 TIP3 5001 -1.562 -2.791 -0.434 1.00 0.00 WT2 O ATOM 31664 H1 TIP3 5001 6.842 -18.186 8.710 1.00 0.00 WT2 H ATOM 31665 H2 TIP3 5001 -11.844 -7.556 -12.186 1.00 0.00 WT2 H ATOM 31666 OH2 TIP3 5002 -1.676 -4.789 -0.247 1.00 0.00 WT2 O ATOM 31667 H1 TIP3 5002 -1.209 -14.955 3.613 1.00 0.00 WT2 H ATOM 31668 H2 TIP3 5002 1.062 0.549 4.820 1.00 0.00 WT2 H ATOM 31669 OH2 TIP3 5004 2.284 -0.000 3.220 1.00 0.00 WT2 O ATOM 31670 H1 TIP3 5004 9.805 12.198 43.112 1.00 0.00 WT2 H ATOM 31671 H2 TIP3 5004 -0.010 16.429 -3.207 1.00 0.00 WT2 H ATOM 31672 OH2 TIP3 5005 4.447 0.016 -3.627 1.00 0.00 WT2 O ATOM 31673 H1 TIP3 5005 6.966 0.548 7.912 1.00 0.00 WT2 H ATOM 31674 H2 TIP3 5005 3.251 1.427 -32.622 1.00 0.00 WT2 H ATOM 31675 OH2 TIP3 5019 -3.527 1.425 -0.364 1.00 0.00 WT2 O ATOM 31676 H1 TIP3 5019 -3.770 16.577 -16.918 1.00 0.00 WT2 H ATOM 31677 H2 TIP3 5019 -11.379 5.360 -6.919 1.00 0.00 WT2 H ATOM 31678 OH2 TIP3 5021 0.613 0.751 5.031 1.00 0.00 WT2 O ATOM 31679 H1 TIP3 5021 -8.988 -0.510 -12.094 1.00 0.00 WT2 H ATOM 31680 H2 TIP3 5021 -0.631 -11.147 17.169 1.00 0.00 WT2 H ATOM 31681 OH2 TIP3 5023 -2.355 -0.211 -2.609 1.00 0.00 WT2 O ATOM 31682 H1 TIP3 5023 -6.850 -9.054 20.055 1.00 0.00 WT2 H ATOM 31683 H2 TIP3 5023 -18.799 9.206 12.829 1.00 0.00 WT2 H ATOM 31684 OH2 TIP3 5025 6.616 -2.447 1.820 1.00 0.00 WT2 O ATOM 31685 H1 TIP3 5025 -16.539 8.743 22.975 1.00 0.00 WT2 H ATOM 31686 H2 TIP3 5025 -9.166 -19.941 -9.096 1.00 0.00 WT2 H ATOM 31687 OH2 TIP3 5040 0.236 -3.907 -0.169 1.00 0.00 WT2 O ATOM 31688 H1 TIP3 5040 -16.120 -4.817 21.068 1.00 0.00 WT2 H ATOM 31689 H2 TIP3 5040 2.188 -19.360 -16.666 1.00 0.00 WT2 H ATOM 31690 OH2 TIP3 5043 -3.249 1.286 -3.928 1.00 0.00 WT2 O ATOM 31691 H1 TIP3 5043 0.764 -20.091 -21.511 1.00 0.00 WT2 H ATOM 31692 H2 TIP3 5043 -3.640 2.758 12.436 1.00 0.00 WT2 H ATOM 31693 OH2 TIP3 5044 1.515 -1.115 -4.819 1.00 0.00 WT2 O ATOM 31694 H1 TIP3 5044 8.090 -13.713 -9.927 1.00 0.00 WT2 H ATOM 31695 H2 TIP3 5044 10.965 -9.656 11.731 1.00 0.00 WT2 H ATOM 31696 OH2 TIP3 5045 0.521 0.716 3.427 1.00 0.00 WT2 O ATOM 31697 H1 TIP3 5045 1.074 -15.733 7.011 1.00 0.00 WT2 H ATOM 31698 H2 TIP3 5045 19.879 0.425 -10.699 1.00 0.00 WT2 H ATOM 31699 OH2 TIP3 5049 2.812 2.964 -0.357 1.00 0.00 WT2 O ATOM 31700 H1 TIP3 5049 5.772 -2.834 -14.262 1.00 0.00 WT2 H ATOM 31701 H2 TIP3 5049 1.730 0.329 -6.575 1.00 0.00 WT2 H ATOM 31702 OH2 TIP3 5060 2.123 -1.070 -0.440 1.00 0.00 WT2 O ATOM 31703 H1 TIP3 5060 6.643 -9.655 7.284 1.00 0.00 WT2 H ATOM 31704 H2 TIP3 5060 21.466 19.537 -10.598 1.00 0.00 WT2 H ATOM 31705 OH2 TIP3 5061 5.750 -0.722 -3.899 1.00 0.00 WT2 O ATOM 31706 H1 TIP3 5061 10.329 4.506 -8.737 1.00 0.00 WT2 H ATOM 31707 H2 TIP3 5061 19.877 11.725 -15.849 1.00 0.00 WT2 H ATOM 31708 OH2 TIP3 5062 -1.257 2.466 -1.270 1.00 0.00 WT2 O ATOM 31709 H1 TIP3 5062 -6.157 6.795 -6.470 1.00 0.00 WT2 H ATOM 31710 H2 TIP3 5062 -5.991 6.205 -7.302 1.00 0.00 WT2 H ATOM 31711 OH2 TIP3 5063 -1.674 3.572 2.859 1.00 0.00 WT2 O ATOM 31712 H1 TIP3 5063 4.453 21.171 6.710 1.00 0.00 WT2 H ATOM 31713 H2 TIP3 5063 12.741 -7.860 -0.948 1.00 0.00 WT2 H ATOM 31714 OH2 TIP3 5064 -2.374 -0.273 3.624 1.00 0.00 WT2 O ATOM 31715 H1 TIP3 5064 19.134 11.336 2.286 1.00 0.00 WT2 H ATOM 31716 H2 TIP3 5064 -1.876 -10.032 25.884 1.00 0.00 WT2 H ATOM 31717 OH2 TIP3 5067 -5.881 4.592 -4.853 1.00 0.00 WT2 O ATOM 31718 H1 TIP3 5067 6.141 10.144 2.527 1.00 0.00 WT2 H ATOM 31719 H2 TIP3 5067 -2.482 11.701 0.646 1.00 0.00 WT2 H ATOM 31720 OH2 TIP3 5068 0.177 6.444 2.390 1.00 0.00 WT2 O ATOM 31721 H1 TIP3 5068 -1.859 6.645 -7.949 1.00 0.00 WT2 H ATOM 31722 H2 TIP3 5068 3.791 10.161 8.452 1.00 0.00 WT2 H ATOM 31723 OH2 TIP3 5069 2.795 -2.492 -0.603 1.00 0.00 WT2 O ATOM 31724 H1 TIP3 5069 3.901 -1.264 9.715 1.00 0.00 WT2 H ATOM 31725 H2 TIP3 5069 13.175 -15.743 -2.928 1.00 0.00 WT2 H ATOM 31726 OH2 TIP3 5085 -0.717 -4.478 1.452 1.00 0.00 WT2 O ATOM 31727 H1 TIP3 5085 -10.002 -0.554 1.328 1.00 0.00 WT2 H ATOM 31728 H2 TIP3 5085 -26.990 9.574 2.721 1.00 0.00 WT2 H ATOM 31729 OH2 TIP3 5088 -2.266 -1.173 -7.127 1.00 0.00 WT2 O ATOM 31730 H1 TIP3 5088 -5.311 15.318 -1.395 1.00 0.00 WT2 H ATOM 31731 H2 TIP3 5088 -6.471 -8.971 16.705 1.00 0.00 WT2 H ATOM 31732 OH2 TIP3 5090 1.741 -1.043 5.746 1.00 0.00 WT2 O ATOM 31733 H1 TIP3 5090 24.244 -4.569 2.967 1.00 0.00 WT2 H ATOM 31734 H2 TIP3 5090 -19.379 16.507 21.904 1.00 0.00 WT2 H ATOM 31735 OH2 TIP3 5091 -9.947 -2.206 -2.777 1.00 0.00 WT2 O ATOM 31736 H1 TIP3 5091 -29.071 28.704 -9.898 1.00 0.00 WT2 H ATOM 31737 H2 TIP3 5091 8.337 -6.146 11.903 1.00 0.00 WT2 H ATOM 31738 OH2 TIP3 5097 -5.061 1.937 -0.138 1.00 0.00 WT2 O ATOM 31739 H1 TIP3 5097 22.940 6.650 3.729 1.00 0.00 WT2 H ATOM 31740 H2 TIP3 5097 -13.543 0.643 -0.939 1.00 0.00 WT2 H ATOM 31741 OH2 TIP3 5104 3.923 -2.606 6.152 1.00 0.00 WT2 O ATOM 31742 H1 TIP3 5104 25.236 -0.108 31.761 1.00 0.00 WT2 H ATOM 31743 H2 TIP3 5104 7.692 -34.372 -3.631 1.00 0.00 WT2 H ATOM 31744 OH2 TIP3 5106 -2.359 -1.549 5.619 1.00 0.00 WT2 O ATOM 31745 H1 TIP3 5106 -23.493 -19.672 12.160 1.00 0.00 WT2 H ATOM 31746 H2 TIP3 5106 5.488 -9.770 5.886 1.00 0.00 WT2 H ATOM 31747 OH2 TIP3 5108 -0.858 -5.798 -4.290 1.00 0.00 WT2 O ATOM 31748 H1 TIP3 5108 -1.630 6.692 -6.581 1.00 0.00 WT2 H ATOM 31749 H2 TIP3 5108 -6.859 34.939 -2.303 1.00 0.00 WT2 H ATOM 31750 OH2 TIP3 5109 0.268 5.199 -1.618 1.00 0.00 WT2 O ATOM 31751 H1 TIP3 5109 -1.424 -5.805 -5.444 1.00 0.00 WT2 H ATOM 31752 H2 TIP3 5109 7.270 -1.678 -12.599 1.00 0.00 WT2 H ATOM 31753 OH2 TIP3 5110 -4.197 3.808 1.131 1.00 0.00 WT2 O ATOM 31754 H1 TIP3 5110 -7.409 6.112 8.256 1.00 0.00 WT2 H ATOM 31755 H2 TIP3 5110 -0.572 -2.982 -9.920 1.00 0.00 WT2 H ATOM 31756 OH2 TIP3 5111 1.345 -3.352 -2.205 1.00 0.00 WT2 O ATOM 31757 H1 TIP3 5111 -19.650 5.116 -9.058 1.00 0.00 WT2 H ATOM 31758 H2 TIP3 5111 5.954 -24.330 11.020 1.00 0.00 WT2 H ATOM 31759 OH2 TIP3 5126 4.643 -4.311 -4.850 1.00 0.00 WT2 O ATOM 31760 H1 TIP3 5126 6.246 -2.611 -1.521 1.00 0.00 WT2 H ATOM 31761 H2 TIP3 5126 -15.348 -7.757 -24.234 1.00 0.00 WT2 H ATOM 31762 OH2 TIP3 5127 -0.618 2.769 -7.495 1.00 0.00 WT2 O ATOM 31763 H1 TIP3 5127 -7.550 3.028 -5.488 1.00 0.00 WT2 H ATOM 31764 H2 TIP3 5127 6.795 -5.381 -15.872 1.00 0.00 WT2 H ATOM 31765 OH2 TIP3 5128 -3.467 -0.915 -3.429 1.00 0.00 WT2 O ATOM 31766 H1 TIP3 5128 -2.046 20.078 -8.301 1.00 0.00 WT2 H ATOM 31767 H2 TIP3 5128 -8.776 -5.598 3.523 1.00 0.00 WT2 H ATOM 31768 OH2 TIP3 5129 -2.202 -2.177 4.531 1.00 0.00 WT2 O ATOM 31769 H1 TIP3 5129 -16.523 -0.664 -16.884 1.00 0.00 WT2 H ATOM 31770 H2 TIP3 5129 -0.811 6.067 19.611 1.00 0.00 WT2 H ATOM 31771 OH2 TIP3 5130 -3.106 3.403 -3.240 1.00 0.00 WT2 O ATOM 31772 H1 TIP3 5130 0.812 9.124 -8.640 1.00 0.00 WT2 H ATOM 31773 H2 TIP3 5130 -12.033 5.686 6.527 1.00 0.00 WT2 H ATOM 31774 OH2 TIP3 5131 -1.217 1.315 -1.390 1.00 0.00 WT2 O ATOM 31775 H1 TIP3 5131 21.244 -5.099 -1.295 1.00 0.00 WT2 H ATOM 31776 H2 TIP3 5131 9.440 -19.917 0.862 1.00 0.00 WT2 H ATOM 31777 OH2 TIP3 5132 -2.267 4.080 -5.721 1.00 0.00 WT2 O ATOM 31778 H1 TIP3 5132 10.705 5.907 13.792 1.00 0.00 WT2 H ATOM 31779 H2 TIP3 5132 0.527 7.835 -9.601 1.00 0.00 WT2 H ATOM 31780 OH2 TIP3 5133 5.304 0.212 -3.785 1.00 0.00 WT2 O ATOM 31781 H1 TIP3 5133 -15.183 24.400 -2.800 1.00 0.00 WT2 H ATOM 31782 H2 TIP3 5133 -6.360 -24.401 5.620 1.00 0.00 WT2 H ATOM 31783 OH2 TIP3 5134 -2.683 1.828 -6.415 1.00 0.00 WT2 O ATOM 31784 H1 TIP3 5134 -8.518 9.325 5.877 1.00 0.00 WT2 H ATOM 31785 H2 TIP3 5134 4.319 12.126 -3.627 1.00 0.00 WT2 H ATOM 31786 OH2 TIP3 5146 4.084 5.541 4.276 1.00 0.00 WT2 O ATOM 31787 H1 TIP3 5146 15.420 -5.260 -5.932 1.00 0.00 WT2 H ATOM 31788 H2 TIP3 5146 9.672 30.195 25.042 1.00 0.00 WT2 H ATOM 31789 OH2 TIP3 5148 -1.393 0.309 5.746 1.00 0.00 WT2 O ATOM 31790 H1 TIP3 5148 20.409 8.275 22.348 1.00 0.00 WT2 H ATOM 31791 H2 TIP3 5148 19.074 15.037 -2.553 1.00 0.00 WT2 H ATOM 31792 OH2 TIP3 5149 -1.982 1.461 -2.710 1.00 0.00 WT2 O ATOM 31793 H1 TIP3 5149 0.353 -15.020 -10.272 1.00 0.00 WT2 H ATOM 31794 H2 TIP3 5149 6.089 2.313 13.323 1.00 0.00 WT2 H ATOM 31795 OH2 TIP3 5151 -2.386 -2.349 -1.230 1.00 0.00 WT2 O ATOM 31796 H1 TIP3 5151 -4.214 -15.309 -1.240 1.00 0.00 WT2 H ATOM 31797 H2 TIP3 5151 -2.136 -17.097 -5.325 1.00 0.00 WT2 H ATOM 31798 OH2 TIP3 5152 7.712 1.002 7.977 1.00 0.00 WT2 O ATOM 31799 H1 TIP3 5152 1.314 4.042 5.631 1.00 0.00 WT2 H ATOM 31800 H2 TIP3 5152 10.824 6.728 18.943 1.00 0.00 WT2 H ATOM 31801 OH2 TIP3 5156 1.169 0.968 -8.268 1.00 0.00 WT2 O ATOM 31802 H1 TIP3 5156 3.841 12.832 -6.480 1.00 0.00 WT2 H ATOM 31803 H2 TIP3 5156 10.275 0.776 -8.173 1.00 0.00 WT2 H ATOM 31804 OH2 TIP3 5162 -2.511 -3.493 -4.337 1.00 0.00 WT2 O ATOM 31805 H1 TIP3 5162 6.742 -5.048 2.142 1.00 0.00 WT2 H ATOM 31806 H2 TIP3 5162 0.540 -3.800 -2.710 1.00 0.00 WT2 H ATOM 31807 OH2 TIP3 5164 -2.114 2.849 -2.937 1.00 0.00 WT2 O ATOM 31808 H1 TIP3 5164 -9.313 -7.306 -8.543 1.00 0.00 WT2 H ATOM 31809 H2 TIP3 5164 8.910 1.938 -1.821 1.00 0.00 WT2 H ATOM 31810 OH2 TIP3 5165 2.087 -2.104 0.547 1.00 0.00 WT2 O ATOM 31811 H1 TIP3 5165 -0.236 -5.049 25.972 1.00 0.00 WT2 H ATOM 31812 H2 TIP3 5165 -4.783 -24.695 -5.500 1.00 0.00 WT2 H ATOM 31813 OH2 TIP3 5166 -0.810 -2.820 1.754 1.00 0.00 WT2 O ATOM 31814 H1 TIP3 5166 7.143 -14.361 -12.762 1.00 0.00 WT2 H ATOM 31815 H2 TIP3 5166 -18.778 -6.421 -5.389 1.00 0.00 WT2 H ATOM 31816 OH2 TIP3 5172 0.845 -2.714 0.365 1.00 0.00 WT2 O ATOM 31817 H1 TIP3 5172 -5.701 -0.741 -10.156 1.00 0.00 WT2 H ATOM 31818 H2 TIP3 5172 -8.158 -15.013 -12.251 1.00 0.00 WT2 H ATOM 31819 OH2 TIP3 5173 0.792 1.531 -0.649 1.00 0.00 WT2 O ATOM 31820 H1 TIP3 5173 -2.097 2.025 -3.500 1.00 0.00 WT2 H ATOM 31821 H2 TIP3 5173 -19.522 5.426 -23.162 1.00 0.00 WT2 H ATOM 31822 OH2 TIP3 5186 3.701 0.435 2.593 1.00 0.00 WT2 O ATOM 31823 H1 TIP3 5186 -8.154 -9.554 20.013 1.00 0.00 WT2 H ATOM 31824 H2 TIP3 5186 5.086 7.457 9.692 1.00 0.00 WT2 H ATOM 31825 OH2 TIP3 5189 -6.386 -0.621 3.539 1.00 0.00 WT2 O ATOM 31826 H1 TIP3 5189 8.349 -5.388 -0.506 1.00 0.00 WT2 H ATOM 31827 H2 TIP3 5189 1.961 -5.610 -8.276 1.00 0.00 WT2 H ATOM 31828 OH2 TIP3 5190 -3.528 2.354 -0.100 1.00 0.00 WT2 O ATOM 31829 H1 TIP3 5190 3.316 13.197 2.524 1.00 0.00 WT2 H ATOM 31830 H2 TIP3 5190 1.068 2.389 -2.521 1.00 0.00 WT2 H ATOM 31831 OH2 TIP3 5191 0.626 2.691 -1.404 1.00 0.00 WT2 O ATOM 31832 H1 TIP3 5191 -4.868 4.997 13.705 1.00 0.00 WT2 H ATOM 31833 H2 TIP3 5191 4.130 3.308 -13.037 1.00 0.00 WT2 H ATOM 31834 OH2 TIP3 5193 -5.752 1.494 -10.308 1.00 0.00 WT2 O ATOM 31835 H1 TIP3 5193 -9.747 -16.171 1.952 1.00 0.00 WT2 H ATOM 31836 H2 TIP3 5193 -11.378 -20.238 4.956 1.00 0.00 WT2 H ATOM 31837 OH2 TIP3 5194 -3.565 -2.132 -5.665 1.00 0.00 WT2 O ATOM 31838 H1 TIP3 5194 -5.611 5.556 -1.011 1.00 0.00 WT2 H ATOM 31839 H2 TIP3 5194 5.646 5.177 -9.239 1.00 0.00 WT2 H ATOM 31840 OH2 TIP3 5206 -0.276 -4.914 -3.358 1.00 0.00 WT2 O ATOM 31841 H1 TIP3 5206 -0.499 -2.917 3.361 1.00 0.00 WT2 H ATOM 31842 H2 TIP3 5206 9.319 11.789 -0.126 1.00 0.00 WT2 H ATOM 31843 OH2 TIP3 5211 4.906 -2.480 0.884 1.00 0.00 WT2 O ATOM 31844 H1 TIP3 5211 3.608 0.711 -7.971 1.00 0.00 WT2 H ATOM 31845 H2 TIP3 5211 -4.992 -0.744 5.632 1.00 0.00 WT2 H ATOM 31846 OH2 TIP3 5214 0.229 -3.375 -2.050 1.00 0.00 WT2 O ATOM 31847 H1 TIP3 5214 -20.164 -6.405 -8.014 1.00 0.00 WT2 H ATOM 31848 H2 TIP3 5214 -5.288 35.914 9.005 1.00 0.00 WT2 H ATOM 31849 OH2 TIP3 5216 2.667 1.496 4.359 1.00 0.00 WT2 O ATOM 31850 H1 TIP3 5216 12.331 8.391 -3.911 1.00 0.00 WT2 H ATOM 31851 H2 TIP3 5216 -4.588 -16.711 1.360 1.00 0.00 WT2 H ATOM 31852 OH2 TIP3 5230 3.173 1.848 7.817 1.00 0.00 WT2 O ATOM 31853 H1 TIP3 5230 8.067 16.498 -6.541 1.00 0.00 WT2 H ATOM 31854 H2 TIP3 5230 4.203 -2.429 -1.269 1.00 0.00 WT2 H ATOM 31855 OH2 TIP3 5231 2.172 -8.764 -8.978 1.00 0.00 WT2 O ATOM 31856 H1 TIP3 5231 -2.001 -12.198 -1.872 1.00 0.00 WT2 H ATOM 31857 H2 TIP3 5231 -1.423 2.869 -10.931 1.00 0.00 WT2 H ATOM 31858 OH2 TIP3 5232 -5.291 -3.122 -7.144 1.00 0.00 WT2 O ATOM 31859 H1 TIP3 5232 -6.628 2.643 11.933 1.00 0.00 WT2 H ATOM 31860 H2 TIP3 5232 0.201 -5.303 -5.465 1.00 0.00 WT2 H ATOM 31861 OH2 TIP3 5234 -0.694 0.708 -3.764 1.00 0.00 WT2 O ATOM 31862 H1 TIP3 5234 -9.276 -13.607 -1.226 1.00 0.00 WT2 H ATOM 31863 H2 TIP3 5234 8.529 1.131 10.116 1.00 0.00 WT2 H ATOM 31864 OH2 TIP3 5235 3.183 2.046 1.276 1.00 0.00 WT2 O ATOM 31865 H1 TIP3 5235 2.864 -17.108 -6.941 1.00 0.00 WT2 H ATOM 31866 H2 TIP3 5235 -19.459 -10.086 15.129 1.00 0.00 WT2 H ATOM 31867 OH2 TIP3 5239 -5.639 -2.154 3.049 1.00 0.00 WT2 O ATOM 31868 H1 TIP3 5239 2.681 13.925 17.880 1.00 0.00 WT2 H ATOM 31869 H2 TIP3 5239 -12.288 -10.061 -12.093 1.00 0.00 WT2 H ATOM 31870 OH2 TIP3 5241 0.528 -0.700 -1.555 1.00 0.00 WT2 O ATOM 31871 H1 TIP3 5241 -7.139 3.409 3.420 1.00 0.00 WT2 H ATOM 31872 H2 TIP3 5241 -14.471 -2.924 7.854 1.00 0.00 WT2 H ATOM 31873 OH2 TIP3 5251 -2.569 -2.568 -2.612 1.00 0.00 WT2 O ATOM 31874 H1 TIP3 5251 14.565 6.632 7.799 1.00 0.00 WT2 H ATOM 31875 H2 TIP3 5251 -1.512 -16.522 7.268 1.00 0.00 WT2 H ATOM 31876 OH2 TIP3 5253 -9.375 -1.382 6.546 1.00 0.00 WT2 O ATOM 31877 H1 TIP3 5253 -10.693 -0.336 4.317 1.00 0.00 WT2 H ATOM 31878 H2 TIP3 5253 6.754 2.270 8.399 1.00 0.00 WT2 H ATOM 31879 OH2 TIP3 5255 6.186 1.690 -4.932 1.00 0.00 WT2 O ATOM 31880 H1 TIP3 5255 -13.197 10.993 -9.529 1.00 0.00 WT2 H ATOM 31881 H2 TIP3 5255 -16.211 -40.732 -6.155 1.00 0.00 WT2 H ATOM 31882 OH2 TIP3 5256 4.638 -2.461 -5.155 1.00 0.00 WT2 O ATOM 31883 H1 TIP3 5256 -17.080 13.179 -17.597 1.00 0.00 WT2 H ATOM 31884 H2 TIP3 5256 19.642 25.296 0.006 1.00 0.00 WT2 H ATOM 31885 OH2 TIP3 5259 0.987 -5.900 11.168 1.00 0.00 WT2 O ATOM 31886 H1 TIP3 5259 0.396 -6.439 12.237 1.00 0.00 WT2 H ATOM 31887 H2 TIP3 5259 5.012 -5.056 13.789 1.00 0.00 WT2 H ATOM 31888 OH2 TIP3 5260 -3.858 5.789 3.293 1.00 0.00 WT2 O ATOM 31889 H1 TIP3 5260 7.064 -10.980 11.333 1.00 0.00 WT2 H ATOM 31890 H2 TIP3 5260 -14.673 -23.286 2.814 1.00 0.00 WT2 H ATOM 31891 OH2 TIP3 5271 -0.671 -2.747 1.770 1.00 0.00 WT2 O ATOM 31892 H1 TIP3 5271 -4.458 -10.200 -1.640 1.00 0.00 WT2 H ATOM 31893 H2 TIP3 5271 -5.668 -12.819 -8.779 1.00 0.00 WT2 H ATOM 31894 OH2 TIP3 5272 -1.007 2.256 2.797 1.00 0.00 WT2 O ATOM 31895 H1 TIP3 5272 2.357 1.894 -6.083 1.00 0.00 WT2 H ATOM 31896 H2 TIP3 5272 -8.006 1.080 6.480 1.00 0.00 WT2 H ATOM 31897 OH2 TIP3 5274 -1.681 -1.647 -1.283 1.00 0.00 WT2 O ATOM 31898 H1 TIP3 5274 -3.048 -5.972 30.625 1.00 0.00 WT2 H ATOM 31899 H2 TIP3 5274 -7.559 -2.904 2.888 1.00 0.00 WT2 H ATOM 31900 OH2 TIP3 5277 -6.135 -8.782 2.356 1.00 0.00 WT2 O ATOM 31901 H1 TIP3 5277 33.903 -20.316 -27.891 1.00 0.00 WT2 H ATOM 31902 H2 TIP3 5277 18.119 19.194 -1.453 1.00 0.00 WT2 H ATOM 31903 OH2 TIP3 5278 0.925 -0.718 -3.779 1.00 0.00 WT2 O ATOM 31904 H1 TIP3 5278 -22.757 8.135 -24.712 1.00 0.00 WT2 H ATOM 31905 H2 TIP3 5278 5.297 -20.371 -14.111 1.00 0.00 WT2 H ATOM 31906 OH2 TIP3 5279 3.094 0.802 0.609 1.00 0.00 WT2 O ATOM 31907 H1 TIP3 5279 0.365 8.968 -14.359 1.00 0.00 WT2 H ATOM 31908 H2 TIP3 5279 -8.750 -8.361 1.765 1.00 0.00 WT2 H ATOM 31909 OH2 TIP3 5293 0.847 2.404 -1.455 1.00 0.00 WT2 O ATOM 31910 H1 TIP3 5293 -4.584 15.384 -2.275 1.00 0.00 WT2 H ATOM 31911 H2 TIP3 5293 7.308 -3.756 1.400 1.00 0.00 WT2 H ATOM 31912 OH2 TIP3 5294 2.423 8.671 -8.304 1.00 0.00 WT2 O ATOM 31913 H1 TIP3 5294 1.086 17.106 -21.446 1.00 0.00 WT2 H ATOM 31914 H2 TIP3 5294 19.635 4.449 -19.419 1.00 0.00 WT2 H ATOM 31915 OH2 TIP3 5295 -3.651 -0.746 6.188 1.00 0.00 WT2 O ATOM 31916 H1 TIP3 5295 7.956 -6.826 -17.842 1.00 0.00 WT2 H ATOM 31917 H2 TIP3 5295 15.227 3.911 23.660 1.00 0.00 WT2 H ATOM 31918 OH2 TIP3 5296 3.849 1.459 3.481 1.00 0.00 WT2 O ATOM 31919 H1 TIP3 5296 5.741 -1.295 3.983 1.00 0.00 WT2 H ATOM 31920 H2 TIP3 5296 4.142 1.741 0.497 1.00 0.00 WT2 H ATOM 31921 OH2 TIP3 5297 2.912 -5.215 1.232 1.00 0.00 WT2 O ATOM 31922 H1 TIP3 5297 -7.938 -29.234 3.203 1.00 0.00 WT2 H ATOM 31923 H2 TIP3 5297 19.360 -7.780 -17.837 1.00 0.00 WT2 H ATOM 31924 OH2 TIP3 5300 -5.490 0.820 3.400 1.00 0.00 WT2 O ATOM 31925 H1 TIP3 5300 -8.355 -11.877 -7.181 1.00 0.00 WT2 H ATOM 31926 H2 TIP3 5300 -0.728 -6.195 6.248 1.00 0.00 WT2 H ATOM 31927 OH2 TIP3 5301 -0.269 5.227 3.412 1.00 0.00 WT2 O ATOM 31928 H1 TIP3 5301 -6.957 0.650 20.035 1.00 0.00 WT2 H ATOM 31929 H2 TIP3 5301 -6.950 -5.592 -10.283 1.00 0.00 WT2 H ATOM 31930 OH2 TIP3 5304 -1.801 -2.536 -0.459 1.00 0.00 WT2 O ATOM 31931 H1 TIP3 5304 4.610 -13.676 6.565 1.00 0.00 WT2 H ATOM 31932 H2 TIP3 5304 -3.550 7.103 -3.930 1.00 0.00 WT2 H ATOM 31933 OH2 TIP3 5315 -3.865 -0.581 0.226 1.00 0.00 WT2 O ATOM 31934 H1 TIP3 5315 -13.097 -3.380 0.213 1.00 0.00 WT2 H ATOM 31935 H2 TIP3 5315 -1.303 6.038 3.668 1.00 0.00 WT2 H ATOM 31936 OH2 TIP3 5317 1.285 2.116 3.008 1.00 0.00 WT2 O ATOM 31937 H1 TIP3 5317 -6.809 10.610 -3.089 1.00 0.00 WT2 H ATOM 31938 H2 TIP3 5317 -3.871 5.894 0.011 1.00 0.00 WT2 H ATOM 31939 OH2 TIP3 5318 -2.573 -1.060 2.842 1.00 0.00 WT2 O ATOM 31940 H1 TIP3 5318 3.673 10.281 16.369 1.00 0.00 WT2 H ATOM 31941 H2 TIP3 5318 -5.674 -11.377 -15.638 1.00 0.00 WT2 H ATOM 31942 OH2 TIP3 5319 -4.777 -0.426 -2.526 1.00 0.00 WT2 O ATOM 31943 H1 TIP3 5319 11.098 -12.846 -6.465 1.00 0.00 WT2 H ATOM 31944 H2 TIP3 5319 -18.088 -0.445 0.096 1.00 0.00 WT2 H ATOM 31945 OH2 TIP3 5320 2.163 2.849 -3.250 1.00 0.00 WT2 O ATOM 31946 H1 TIP3 5320 18.181 2.828 12.949 1.00 0.00 WT2 H ATOM 31947 H2 TIP3 5320 2.382 -1.570 -3.374 1.00 0.00 WT2 H ATOM 31948 OH2 TIP3 5335 -4.029 4.443 4.755 1.00 0.00 WT2 O ATOM 31949 H1 TIP3 5335 3.458 9.466 -3.200 1.00 0.00 WT2 H ATOM 31950 H2 TIP3 5335 -24.727 9.339 11.805 1.00 0.00 WT2 H ATOM 31951 OH2 TIP3 5336 5.521 4.310 -0.719 1.00 0.00 WT2 O ATOM 31952 H1 TIP3 5336 19.795 -5.888 11.582 1.00 0.00 WT2 H ATOM 31953 H2 TIP3 5336 -8.518 11.723 11.884 1.00 0.00 WT2 H ATOM 31954 OH2 TIP3 5339 -4.767 3.744 -2.390 1.00 0.00 WT2 O ATOM 31955 H1 TIP3 5339 13.876 4.417 -39.071 1.00 0.00 WT2 H ATOM 31956 H2 TIP3 5339 9.852 -27.406 -35.278 1.00 0.00 WT2 H ATOM 31957 OH2 TIP3 5340 -0.883 6.480 -1.926 1.00 0.00 WT2 O ATOM 31958 H1 TIP3 5340 14.353 -1.693 -13.781 1.00 0.00 WT2 H ATOM 31959 H2 TIP3 5340 -21.082 1.900 -4.851 1.00 0.00 WT2 H ATOM 31960 OH2 TIP3 5341 -3.688 -5.300 -5.093 1.00 0.00 WT2 O ATOM 31961 H1 TIP3 5341 16.087 -5.555 15.135 1.00 0.00 WT2 H ATOM 31962 H2 TIP3 5341 10.231 -25.030 4.752 1.00 0.00 WT2 H ATOM 31963 OH2 TIP3 5355 -2.487 4.464 0.844 1.00 0.00 WT2 O ATOM 31964 H1 TIP3 5355 -5.672 4.577 -5.178 1.00 0.00 WT2 H ATOM 31965 H2 TIP3 5355 11.250 4.801 -3.662 1.00 0.00 WT2 H ATOM 31966 OH2 TIP3 5356 -0.842 0.014 -2.152 1.00 0.00 WT2 O ATOM 31967 H1 TIP3 5356 -5.012 5.051 9.409 1.00 0.00 WT2 H ATOM 31968 H2 TIP3 5356 -1.561 -1.531 -0.119 1.00 0.00 WT2 H ATOM 31969 OH2 TIP3 5357 -1.360 3.526 10.386 1.00 0.00 WT2 O ATOM 31970 H1 TIP3 5357 13.246 -6.244 22.104 1.00 0.00 WT2 H ATOM 31971 H2 TIP3 5357 9.593 1.560 -8.020 1.00 0.00 WT2 H ATOM 31972 OH2 TIP3 5358 4.290 2.262 -4.027 1.00 0.00 WT2 O ATOM 31973 H1 TIP3 5358 -2.925 -7.154 -9.008 1.00 0.00 WT2 H ATOM 31974 H2 TIP3 5358 10.757 -4.574 5.612 1.00 0.00 WT2 H ATOM 31975 OH2 TIP3 5359 8.840 -0.833 3.910 1.00 0.00 WT2 O ATOM 31976 H1 TIP3 5359 7.854 -2.787 2.986 1.00 0.00 WT2 H ATOM 31977 H2 TIP3 5359 12.319 0.801 8.077 1.00 0.00 WT2 H ATOM 31978 OH2 TIP3 5360 -2.803 1.962 -0.874 1.00 0.00 WT2 O ATOM 31979 H1 TIP3 5360 -15.954 4.431 -3.068 1.00 0.00 WT2 H ATOM 31980 H2 TIP3 5360 -5.998 1.175 -9.580 1.00 0.00 WT2 H ATOM 31981 OH2 TIP3 5364 2.317 1.247 -1.620 1.00 0.00 WT2 O ATOM 31982 H1 TIP3 5364 -8.833 3.463 -0.805 1.00 0.00 WT2 H ATOM 31983 H2 TIP3 5364 23.087 -8.331 0.275 1.00 0.00 WT2 H ATOM 31984 OH2 TIP3 5375 -0.926 3.241 4.260 1.00 0.00 WT2 O ATOM 31985 H1 TIP3 5375 -6.226 -20.989 -8.389 1.00 0.00 WT2 H ATOM 31986 H2 TIP3 5375 -0.507 5.393 -5.304 1.00 0.00 WT2 H ATOM 31987 OH2 TIP3 5377 1.147 -1.169 -7.653 1.00 0.00 WT2 O ATOM 31988 H1 TIP3 5377 7.649 -17.509 -18.720 1.00 0.00 WT2 H ATOM 31989 H2 TIP3 5377 1.674 -6.347 12.098 1.00 0.00 WT2 H ATOM 31990 OH2 TIP3 5378 1.327 -5.213 -0.496 1.00 0.00 WT2 O ATOM 31991 H1 TIP3 5378 -11.354 7.128 -23.814 1.00 0.00 WT2 H ATOM 31992 H2 TIP3 5378 -4.333 -4.627 -1.410 1.00 0.00 WT2 H ATOM 31993 OH2 TIP3 5379 0.608 -2.318 -2.944 1.00 0.00 WT2 O ATOM 31994 H1 TIP3 5379 -11.969 -5.097 7.492 1.00 0.00 WT2 H ATOM 31995 H2 TIP3 5379 -5.087 -3.874 3.467 1.00 0.00 WT2 H ATOM 31996 OH2 TIP3 5380 -3.805 -6.880 4.632 1.00 0.00 WT2 O ATOM 31997 H1 TIP3 5380 -1.963 -6.001 14.175 1.00 0.00 WT2 H ATOM 31998 H2 TIP3 5380 -9.850 -2.465 1.819 1.00 0.00 WT2 H ATOM 31999 OH2 TIP3 5381 -3.451 -5.669 -2.628 1.00 0.00 WT2 O ATOM 32000 H1 TIP3 5381 -8.852 -5.612 0.339 1.00 0.00 WT2 H ATOM 32001 H2 TIP3 5381 -15.196 -8.004 5.055 1.00 0.00 WT2 H ATOM 32002 OH2 TIP3 5382 -3.207 -0.264 3.086 1.00 0.00 WT2 O ATOM 32003 H1 TIP3 5382 3.825 -1.778 4.065 1.00 0.00 WT2 H ATOM 32004 H2 TIP3 5382 3.213 -5.153 -2.948 1.00 0.00 WT2 H ATOM 32005 OH2 TIP3 5383 6.242 8.504 -1.497 1.00 0.00 WT2 O ATOM 32006 H1 TIP3 5383 16.475 -19.947 -26.799 1.00 0.00 WT2 H ATOM 32007 H2 TIP3 5383 14.496 3.685 5.598 1.00 0.00 WT2 H ATOM 32008 OH2 TIP3 5384 2.702 -2.927 4.932 1.00 0.00 WT2 O ATOM 32009 H1 TIP3 5384 3.789 -11.020 1.989 1.00 0.00 WT2 H ATOM 32010 H2 TIP3 5384 1.290 -8.041 1.752 1.00 0.00 WT2 H ATOM 32011 OH2 TIP3 5385 -2.833 0.755 6.247 1.00 0.00 WT2 O ATOM 32012 H1 TIP3 5385 4.468 14.848 13.011 1.00 0.00 WT2 H ATOM 32013 H2 TIP3 5385 -14.045 -20.895 15.096 1.00 0.00 WT2 H ATOM 32014 OH2 TIP3 5393 8.346 -3.209 1.440 1.00 0.00 WT2 O ATOM 32015 H1 TIP3 5393 -5.330 -31.918 7.845 1.00 0.00 WT2 H ATOM 32016 H2 TIP3 5393 0.666 2.162 9.778 1.00 0.00 WT2 H ATOM 32017 OH2 TIP3 5396 -3.408 -1.082 -5.396 1.00 0.00 WT2 O ATOM 32018 H1 TIP3 5396 -2.283 8.597 2.087 1.00 0.00 WT2 H ATOM 32019 H2 TIP3 5396 -25.564 14.706 0.341 1.00 0.00 WT2 H ATOM 32020 OH2 TIP3 5399 0.495 0.751 2.988 1.00 0.00 WT2 O ATOM 32021 H1 TIP3 5399 6.681 0.360 -10.414 1.00 0.00 WT2 H ATOM 32022 H2 TIP3 5399 -2.053 14.950 15.394 1.00 0.00 WT2 H ATOM 32023 OH2 TIP3 5400 1.515 -2.215 -6.055 1.00 0.00 WT2 O ATOM 32024 H1 TIP3 5400 13.324 -13.525 3.102 1.00 0.00 WT2 H ATOM 32025 H2 TIP3 5400 17.651 -4.176 -0.637 1.00 0.00 WT2 H ATOM 32026 OH2 TIP3 5402 2.030 -0.324 -0.529 1.00 0.00 WT2 O ATOM 32027 H1 TIP3 5402 -0.416 0.885 21.132 1.00 0.00 WT2 H ATOM 32028 H2 TIP3 5402 1.285 4.056 -13.937 1.00 0.00 WT2 H ATOM 32029 OH2 TIP3 5404 -1.908 -1.564 2.309 1.00 0.00 WT2 O ATOM 32030 H1 TIP3 5404 12.302 20.781 20.838 1.00 0.00 WT2 H ATOM 32031 H2 TIP3 5404 -4.534 -8.217 -0.288 1.00 0.00 WT2 H ATOM 32032 OH2 TIP3 5418 6.576 -3.698 -1.256 1.00 0.00 WT2 O ATOM 32033 H1 TIP3 5418 -4.289 6.807 21.910 1.00 0.00 WT2 H ATOM 32034 H2 TIP3 5418 9.212 -4.122 6.871 1.00 0.00 WT2 H ATOM 32035 OH2 TIP3 5419 1.439 -3.739 1.660 1.00 0.00 WT2 O ATOM 32036 H1 TIP3 5419 -7.333 -1.347 3.506 1.00 0.00 WT2 H ATOM 32037 H2 TIP3 5419 8.393 -11.080 -5.375 1.00 0.00 WT2 H ATOM 32038 OH2 TIP3 5420 4.511 0.389 -2.321 1.00 0.00 WT2 O ATOM 32039 H1 TIP3 5420 -2.119 -11.599 9.136 1.00 0.00 WT2 H ATOM 32040 H2 TIP3 5420 0.051 1.542 -14.357 1.00 0.00 WT2 H ATOM 32041 OH2 TIP3 5421 -6.957 -4.863 5.657 1.00 0.00 WT2 O ATOM 32042 H1 TIP3 5421 -1.511 22.173 14.694 1.00 0.00 WT2 H ATOM 32043 H2 TIP3 5421 -13.484 -27.090 11.555 1.00 0.00 WT2 H ATOM 32044 OH2 TIP3 5422 -0.351 2.541 4.854 1.00 0.00 WT2 O ATOM 32045 H1 TIP3 5422 -2.199 -13.636 -9.459 1.00 0.00 WT2 H ATOM 32046 H2 TIP3 5422 11.937 22.658 14.617 1.00 0.00 WT2 H ATOM 32047 OH2 TIP3 5426 -4.498 8.583 -1.997 1.00 0.00 WT2 O ATOM 32048 H1 TIP3 5426 4.502 -1.695 11.802 1.00 0.00 WT2 H ATOM 32049 H2 TIP3 5426 -1.913 3.475 2.312 1.00 0.00 WT2 H ATOM 32050 OH2 TIP3 5430 5.489 -3.983 -5.345 1.00 0.00 WT2 O ATOM 32051 H1 TIP3 5430 8.752 0.238 -6.019 1.00 0.00 WT2 H ATOM 32052 H2 TIP3 5430 -3.110 -7.240 -2.448 1.00 0.00 WT2 H ATOM 32053 OH2 TIP3 5434 3.376 -4.352 -3.117 1.00 0.00 WT2 O ATOM 32054 H1 TIP3 5434 -4.295 1.216 11.090 1.00 0.00 WT2 H ATOM 32055 H2 TIP3 5434 12.932 -7.672 10.851 1.00 0.00 WT2 H ATOM 32056 OH2 TIP3 5440 -7.335 1.774 4.880 1.00 0.00 WT2 O ATOM 32057 H1 TIP3 5440 -3.045 3.130 -8.363 1.00 0.00 WT2 H ATOM 32058 H2 TIP3 5440 1.236 7.371 -7.466 1.00 0.00 WT2 H ATOM 32059 OH2 TIP3 5442 -9.361 -3.633 -3.936 1.00 0.00 WT2 O ATOM 32060 H1 TIP3 5442 1.788 -0.457 -18.420 1.00 0.00 WT2 H ATOM 32061 H2 TIP3 5442 -13.658 -17.158 -5.163 1.00 0.00 WT2 H ATOM 32062 OH2 TIP3 5443 2.407 -2.294 6.174 1.00 0.00 WT2 O ATOM 32063 H1 TIP3 5443 -19.826 7.618 -12.496 1.00 0.00 WT2 H ATOM 32064 H2 TIP3 5443 -4.141 17.196 8.773 1.00 0.00 WT2 H ATOM 32065 OH2 TIP3 5444 -0.186 -1.373 2.579 1.00 0.00 WT2 O ATOM 32066 H1 TIP3 5444 -5.635 -6.296 4.744 1.00 0.00 WT2 H ATOM 32067 H2 TIP3 5444 4.979 0.649 6.918 1.00 0.00 WT2 H ATOM 32068 OH2 TIP3 5445 -3.379 -2.461 -2.258 1.00 0.00 WT2 O ATOM 32069 H1 TIP3 5445 14.658 -0.908 -10.451 1.00 0.00 WT2 H ATOM 32070 H2 TIP3 5445 -14.149 -1.974 -23.092 1.00 0.00 WT2 H ATOM 32071 OH2 TIP3 5446 -4.515 -3.090 -1.813 1.00 0.00 WT2 O ATOM 32072 H1 TIP3 5446 -6.242 15.562 -18.599 1.00 0.00 WT2 H ATOM 32073 H2 TIP3 5446 -3.885 -17.495 7.851 1.00 0.00 WT2 H ATOM 32074 OH2 TIP3 5460 -5.169 -6.141 -2.957 1.00 0.00 WT2 O ATOM 32075 H1 TIP3 5460 -3.092 -1.118 10.354 1.00 0.00 WT2 H ATOM 32076 H2 TIP3 5460 30.145 17.099 -12.884 1.00 0.00 WT2 H ATOM 32077 OH2 TIP3 5461 -4.252 -4.855 5.581 1.00 0.00 WT2 O ATOM 32078 H1 TIP3 5461 -1.886 -11.252 -8.782 1.00 0.00 WT2 H ATOM 32079 H2 TIP3 5461 3.078 -5.255 5.158 1.00 0.00 WT2 H ATOM 32080 OH2 TIP3 5462 -0.007 1.173 -0.076 1.00 0.00 WT2 O ATOM 32081 H1 TIP3 5462 3.693 2.732 -3.350 1.00 0.00 WT2 H ATOM 32082 H2 TIP3 5462 16.289 -15.026 -3.359 1.00 0.00 WT2 H ATOM 32083 OH2 TIP3 5463 -0.512 1.091 3.730 1.00 0.00 WT2 O ATOM 32084 H1 TIP3 5463 1.088 -9.736 -5.567 1.00 0.00 WT2 H ATOM 32085 H2 TIP3 5463 4.007 -6.633 -4.741 1.00 0.00 WT2 H ATOM 32086 OH2 TIP3 5464 -3.742 -2.350 5.623 1.00 0.00 WT2 O ATOM 32087 H1 TIP3 5464 0.889 9.443 -16.343 1.00 0.00 WT2 H ATOM 32088 H2 TIP3 5464 16.625 -4.879 -0.948 1.00 0.00 WT2 H ATOM 32089 OH2 TIP3 5466 -4.987 -0.075 4.861 1.00 0.00 WT2 O ATOM 32090 H1 TIP3 5466 19.354 9.590 -4.518 1.00 0.00 WT2 H ATOM 32091 H2 TIP3 5466 23.104 -1.150 9.716 1.00 0.00 WT2 H ATOM 32092 OH2 TIP3 5481 0.555 -6.415 -0.896 1.00 0.00 WT2 O ATOM 32093 H1 TIP3 5481 8.483 -6.878 -1.685 1.00 0.00 WT2 H ATOM 32094 H2 TIP3 5481 23.484 2.366 11.272 1.00 0.00 WT2 H ATOM 32095 OH2 TIP3 5482 -0.504 4.350 1.479 1.00 0.00 WT2 O ATOM 32096 H1 TIP3 5482 -3.611 2.416 -9.043 1.00 0.00 WT2 H ATOM 32097 H2 TIP3 5482 -17.041 -1.391 22.563 1.00 0.00 WT2 H ATOM 32098 OH2 TIP3 5483 4.238 -2.181 4.928 1.00 0.00 WT2 O ATOM 32099 H1 TIP3 5483 3.552 -0.263 4.398 1.00 0.00 WT2 H ATOM 32100 H2 TIP3 5483 7.322 -0.783 3.287 1.00 0.00 WT2 H ATOM 32101 OH2 TIP3 5484 -0.822 -5.654 7.740 1.00 0.00 WT2 O ATOM 32102 H1 TIP3 5484 1.976 -4.199 7.107 1.00 0.00 WT2 H ATOM 32103 H2 TIP3 5484 -0.942 -6.425 4.314 1.00 0.00 WT2 H ATOM 32104 OH2 TIP3 5486 -0.309 1.899 0.398 1.00 0.00 WT2 O ATOM 32105 H1 TIP3 5486 24.121 -11.283 -20.188 1.00 0.00 WT2 H ATOM 32106 H2 TIP3 5486 -5.253 0.816 -9.559 1.00 0.00 WT2 H ATOM 32107 OH2 TIP3 5487 5.681 -1.074 0.019 1.00 0.00 WT2 O ATOM 32108 H1 TIP3 5487 5.849 -1.249 0.214 1.00 0.00 WT2 H ATOM 32109 H2 TIP3 5487 11.158 -0.813 -0.377 1.00 0.00 WT2 H ATOM 32110 OH2 TIP3 5488 -0.992 -1.868 1.015 1.00 0.00 WT2 O ATOM 32111 H1 TIP3 5488 3.129 -1.894 -10.088 1.00 0.00 WT2 H ATOM 32112 H2 TIP3 5488 2.866 -7.206 -18.632 1.00 0.00 WT2 H ATOM 32113 OH2 TIP3 5504 -4.381 1.942 -2.248 1.00 0.00 WT2 O ATOM 32114 H1 TIP3 5504 -11.687 2.983 -14.106 1.00 0.00 WT2 H ATOM 32115 H2 TIP3 5504 9.056 1.384 -6.053 1.00 0.00 WT2 H ATOM 32116 OH2 TIP3 5505 -0.497 0.222 -4.692 1.00 0.00 WT2 O ATOM 32117 H1 TIP3 5505 -27.933 8.561 -11.202 1.00 0.00 WT2 H ATOM 32118 H2 TIP3 5505 -11.576 3.843 -7.046 1.00 0.00 WT2 H ATOM 32119 OH2 TIP3 5506 -8.251 -7.984 -0.534 1.00 0.00 WT2 O ATOM 32120 H1 TIP3 5506 -14.931 -9.292 -0.002 1.00 0.00 WT2 H ATOM 32121 H2 TIP3 5506 -9.434 -14.820 -2.960 1.00 0.00 WT2 H ATOM 32122 OH2 TIP3 5507 3.784 -0.080 -0.790 1.00 0.00 WT2 O ATOM 32123 H1 TIP3 5507 11.285 -8.705 -18.220 1.00 0.00 WT2 H ATOM 32124 H2 TIP3 5507 8.343 10.433 -15.162 1.00 0.00 WT2 H ATOM 32125 OH2 TIP3 5510 0.776 6.206 2.298 1.00 0.00 WT2 O ATOM 32126 H1 TIP3 5510 3.311 7.464 1.796 1.00 0.00 WT2 H ATOM 32127 H2 TIP3 5510 -4.722 4.209 -0.353 1.00 0.00 WT2 H ATOM 32128 OH2 TIP3 5522 1.344 -1.017 -1.496 1.00 0.00 WT2 O ATOM 32129 H1 TIP3 5522 -3.481 -26.942 -4.824 1.00 0.00 WT2 H ATOM 32130 H2 TIP3 5522 -12.863 -7.140 -4.140 1.00 0.00 WT2 H ATOM 32131 OH2 TIP3 5526 0.107 0.869 1.530 1.00 0.00 WT2 O ATOM 32132 H1 TIP3 5526 7.182 14.385 0.616 1.00 0.00 WT2 H ATOM 32133 H2 TIP3 5526 -15.884 9.736 1.436 1.00 0.00 WT2 H ATOM 32134 OH2 TIP3 5527 -3.818 -2.732 -3.465 1.00 0.00 WT2 O ATOM 32135 H1 TIP3 5527 -2.253 -7.527 -23.066 1.00 0.00 WT2 H ATOM 32136 H2 TIP3 5527 -6.826 -5.129 17.760 1.00 0.00 WT2 H ATOM 32137 OH2 TIP3 5528 -5.551 -0.674 -1.133 1.00 0.00 WT2 O ATOM 32138 H1 TIP3 5528 -8.944 -14.778 2.716 1.00 0.00 WT2 H ATOM 32139 H2 TIP3 5528 -6.479 8.800 7.518 1.00 0.00 WT2 H ATOM 32140 OH2 TIP3 5530 1.945 -5.309 1.760 1.00 0.00 WT2 O ATOM 32141 H1 TIP3 5530 -5.029 -0.827 0.353 1.00 0.00 WT2 H ATOM 32142 H2 TIP3 5530 34.252 -29.242 6.752 1.00 0.00 WT2 H ATOM 32143 OH2 TIP3 5545 -0.413 5.774 -6.698 1.00 0.00 WT2 O ATOM 32144 H1 TIP3 5545 1.335 -1.872 -5.347 1.00 0.00 WT2 H ATOM 32145 H2 TIP3 5545 -9.723 16.694 -4.001 1.00 0.00 WT2 H ATOM 32146 OH2 TIP3 5547 1.888 -0.751 -0.674 1.00 0.00 WT2 O ATOM 32147 H1 TIP3 5547 2.360 2.541 -18.250 1.00 0.00 WT2 H ATOM 32148 H2 TIP3 5547 9.781 -1.375 1.133 1.00 0.00 WT2 H ATOM 32149 OH2 TIP3 5548 -2.504 1.264 0.177 1.00 0.00 WT2 O ATOM 32150 H1 TIP3 5548 -3.490 -8.711 0.693 1.00 0.00 WT2 H ATOM 32151 H2 TIP3 5548 -3.169 -10.661 0.305 1.00 0.00 WT2 H ATOM 32152 OH2 TIP3 5549 -0.605 5.585 7.617 1.00 0.00 WT2 O ATOM 32153 H1 TIP3 5549 5.225 2.860 -7.165 1.00 0.00 WT2 H ATOM 32154 H2 TIP3 5549 5.041 -5.591 17.588 1.00 0.00 WT2 H ATOM 32155 OH2 TIP3 5550 -3.498 -0.890 0.337 1.00 0.00 WT2 O ATOM 32156 H1 TIP3 5550 -0.171 23.946 -6.764 1.00 0.00 WT2 H ATOM 32157 H2 TIP3 5550 -5.696 14.731 -1.307 1.00 0.00 WT2 H ATOM 32158 OH2 TIP3 5551 4.435 8.755 -5.973 1.00 0.00 WT2 O ATOM 32159 H1 TIP3 5551 20.718 6.556 -0.616 1.00 0.00 WT2 H ATOM 32160 H2 TIP3 5551 -18.794 4.574 -6.334 1.00 0.00 WT2 H ATOM 32161 OH2 TIP3 5552 -1.128 0.058 0.364 1.00 0.00 WT2 O ATOM 32162 H1 TIP3 5552 -8.593 -5.980 -0.805 1.00 0.00 WT2 H ATOM 32163 H2 TIP3 5552 5.631 -5.187 4.656 1.00 0.00 WT2 H ATOM 32164 OH2 TIP3 5553 4.356 -5.265 -4.664 1.00 0.00 WT2 O ATOM 32165 H1 TIP3 5553 -11.658 -31.448 -0.138 1.00 0.00 WT2 H ATOM 32166 H2 TIP3 5553 22.192 -0.133 -3.278 1.00 0.00 WT2 H ATOM 32167 OH2 TIP3 5564 -0.087 9.248 1.209 1.00 0.00 WT2 O ATOM 32168 H1 TIP3 5564 -11.369 -19.664 7.661 1.00 0.00 WT2 H ATOM 32169 H2 TIP3 5564 -6.765 -8.707 12.793 1.00 0.00 WT2 H ATOM 32170 OH2 TIP3 5566 -3.592 0.702 -2.025 1.00 0.00 WT2 O ATOM 32171 H1 TIP3 5566 28.325 -32.099 11.697 1.00 0.00 WT2 H ATOM 32172 H2 TIP3 5566 -10.176 12.113 -1.130 1.00 0.00 WT2 H ATOM 32173 OH2 TIP3 5567 1.128 -4.361 -2.417 1.00 0.00 WT2 O ATOM 32174 H1 TIP3 5567 7.328 -35.167 3.241 1.00 0.00 WT2 H ATOM 32175 H2 TIP3 5567 21.797 -5.804 7.818 1.00 0.00 WT2 H ATOM 32176 OH2 TIP3 5568 -5.634 0.716 -9.413 1.00 0.00 WT2 O ATOM 32177 H1 TIP3 5568 -6.997 -2.920 -7.856 1.00 0.00 WT2 H ATOM 32178 H2 TIP3 5568 4.195 4.108 -26.052 1.00 0.00 WT2 H ATOM 32179 OH2 TIP3 5569 1.851 -1.797 -0.804 1.00 0.00 WT2 O ATOM 32180 H1 TIP3 5569 6.682 5.156 -1.819 1.00 0.00 WT2 H ATOM 32181 H2 TIP3 5569 -10.740 -3.640 17.408 1.00 0.00 WT2 H ATOM 32182 OH2 TIP3 5571 -0.431 -7.399 -2.193 1.00 0.00 WT2 O ATOM 32183 H1 TIP3 5571 1.681 1.184 -2.264 1.00 0.00 WT2 H ATOM 32184 H2 TIP3 5571 -7.527 -3.153 -8.609 1.00 0.00 WT2 H ATOM 32185 OH2 TIP3 5572 0.740 4.384 -2.429 1.00 0.00 WT2 O ATOM 32186 H1 TIP3 5572 -9.286 -2.722 -5.052 1.00 0.00 WT2 H ATOM 32187 H2 TIP3 5572 -16.476 19.477 -5.361 1.00 0.00 WT2 H ATOM 32188 OH2 TIP3 5585 -2.551 4.544 -0.921 1.00 0.00 WT2 O ATOM 32189 H1 TIP3 5585 10.985 -20.593 -19.993 1.00 0.00 WT2 H ATOM 32190 H2 TIP3 5585 -2.202 4.983 -0.425 1.00 0.00 WT2 H ATOM 32191 OH2 TIP3 5590 -0.539 -0.011 0.666 1.00 0.00 WT2 O ATOM 32192 H1 TIP3 5590 -4.633 0.352 -10.145 1.00 0.00 WT2 H ATOM 32193 H2 TIP3 5590 -3.164 -1.427 12.997 1.00 0.00 WT2 H ATOM 32194 OH2 TIP3 5591 5.211 -1.592 0.469 1.00 0.00 WT2 O ATOM 32195 H1 TIP3 5591 -4.536 3.795 5.362 1.00 0.00 WT2 H ATOM 32196 H2 TIP3 5591 -16.375 7.434 8.494 1.00 0.00 WT2 H ATOM 32197 OH2 TIP3 5592 3.469 5.218 1.948 1.00 0.00 WT2 O ATOM 32198 H1 TIP3 5592 -15.876 9.366 28.453 1.00 0.00 WT2 H ATOM 32199 H2 TIP3 5592 8.362 3.583 17.711 1.00 0.00 WT2 H ATOM 32200 OH2 TIP3 5595 -4.513 0.746 1.453 1.00 0.00 WT2 O ATOM 32201 H1 TIP3 5595 -1.552 9.049 2.650 1.00 0.00 WT2 H ATOM 32202 H2 TIP3 5595 0.417 16.779 -2.377 1.00 0.00 WT2 H ATOM 32203 OH2 TIP3 5596 3.853 -4.433 -2.833 1.00 0.00 WT2 O ATOM 32204 H1 TIP3 5596 3.761 -4.476 1.524 1.00 0.00 WT2 H ATOM 32205 H2 TIP3 5596 -3.804 34.526 6.194 1.00 0.00 WT2 H ATOM 32206 OH2 TIP3 5606 -1.591 -1.441 -6.128 1.00 0.00 WT2 O ATOM 32207 H1 TIP3 5606 -1.090 8.447 -4.861 1.00 0.00 WT2 H ATOM 32208 H2 TIP3 5606 -4.602 -5.613 3.303 1.00 0.00 WT2 H ATOM 32209 OH2 TIP3 5607 2.240 -5.277 -3.690 1.00 0.00 WT2 O ATOM 32210 H1 TIP3 5607 12.751 -2.472 -2.403 1.00 0.00 WT2 H ATOM 32211 H2 TIP3 5607 -9.506 -13.556 13.333 1.00 0.00 WT2 H ATOM 32212 OH2 TIP3 5609 -9.473 -1.349 -2.147 1.00 0.00 WT2 O ATOM 32213 H1 TIP3 5609 3.756 -6.242 13.215 1.00 0.00 WT2 H ATOM 32214 H2 TIP3 5609 -1.707 -6.363 6.302 1.00 0.00 WT2 H ATOM 32215 OH2 TIP3 5610 0.451 4.739 -0.726 1.00 0.00 WT2 O ATOM 32216 H1 TIP3 5610 7.153 -4.619 -5.228 1.00 0.00 WT2 H ATOM 32217 H2 TIP3 5610 -7.022 7.573 -5.788 1.00 0.00 WT2 H ATOM 32218 OH2 TIP3 5611 -5.139 -0.125 -5.619 1.00 0.00 WT2 O ATOM 32219 H1 TIP3 5611 -8.645 6.383 5.703 1.00 0.00 WT2 H ATOM 32220 H2 TIP3 5611 -6.437 8.903 5.337 1.00 0.00 WT2 H ATOM 32221 OH2 TIP3 5612 -2.040 1.001 -1.434 1.00 0.00 WT2 O ATOM 32222 H1 TIP3 5612 -28.794 4.031 -23.921 1.00 0.00 WT2 H ATOM 32223 H2 TIP3 5612 8.524 -5.004 1.501 1.00 0.00 WT2 H ATOM 32224 OH2 TIP3 5614 1.450 -0.003 3.397 1.00 0.00 WT2 O ATOM 32225 H1 TIP3 5614 5.828 8.577 4.902 1.00 0.00 WT2 H ATOM 32226 H2 TIP3 5614 8.043 1.781 -3.706 1.00 0.00 WT2 H ATOM 32227 OH2 TIP3 5615 0.266 5.214 9.221 1.00 0.00 WT2 O ATOM 32228 H1 TIP3 5615 18.814 4.965 23.754 1.00 0.00 WT2 H ATOM 32229 H2 TIP3 5615 -3.634 7.786 6.293 1.00 0.00 WT2 H ATOM 32230 OH2 TIP3 5616 1.898 -5.697 1.473 1.00 0.00 WT2 O ATOM 32231 H1 TIP3 5616 -2.607 4.309 4.347 1.00 0.00 WT2 H ATOM 32232 H2 TIP3 5616 15.774 -28.116 -3.322 1.00 0.00 WT2 H ATOM 32233 OH2 TIP3 5618 4.581 4.016 2.253 1.00 0.00 WT2 O ATOM 32234 H1 TIP3 5618 -0.076 -4.994 -5.704 1.00 0.00 WT2 H ATOM 32235 H2 TIP3 5618 16.116 -6.127 0.213 1.00 0.00 WT2 H ATOM 32236 OH2 TIP3 5626 -1.704 4.377 3.641 1.00 0.00 WT2 O ATOM 32237 H1 TIP3 5626 -2.997 -7.411 3.509 1.00 0.00 WT2 H ATOM 32238 H2 TIP3 5626 -3.083 22.065 -6.671 1.00 0.00 WT2 H ATOM 32239 OH2 TIP3 5630 3.643 -0.963 4.382 1.00 0.00 WT2 O ATOM 32240 H1 TIP3 5630 -3.616 -13.317 -6.180 1.00 0.00 WT2 H ATOM 32241 H2 TIP3 5630 2.220 -6.302 12.137 1.00 0.00 WT2 H ATOM 32242 OH2 TIP3 5631 6.231 0.818 2.443 1.00 0.00 WT2 O ATOM 32243 H1 TIP3 5631 4.125 0.134 7.611 1.00 0.00 WT2 H ATOM 32244 H2 TIP3 5631 5.871 0.857 4.444 1.00 0.00 WT2 H ATOM 32245 OH2 TIP3 5633 2.984 2.318 -7.426 1.00 0.00 WT2 O ATOM 32246 H1 TIP3 5633 19.907 3.809 11.202 1.00 0.00 WT2 H ATOM 32247 H2 TIP3 5633 19.661 3.591 5.270 1.00 0.00 WT2 H ATOM 32248 OH2 TIP3 5635 2.860 -1.428 -11.224 1.00 0.00 WT2 O ATOM 32249 H1 TIP3 5635 -3.520 -0.678 -16.146 1.00 0.00 WT2 H ATOM 32250 H2 TIP3 5635 8.548 0.700 5.420 1.00 0.00 WT2 H ATOM 32251 OH2 TIP3 5647 -1.344 6.345 0.728 1.00 0.00 WT2 O ATOM 32252 H1 TIP3 5647 -21.042 5.813 10.290 1.00 0.00 WT2 H ATOM 32253 H2 TIP3 5647 24.109 13.129 -24.900 1.00 0.00 WT2 H ATOM 32254 OH2 TIP3 5650 0.124 -1.185 -0.499 1.00 0.00 WT2 O ATOM 32255 H1 TIP3 5650 6.198 -17.028 -6.969 1.00 0.00 WT2 H ATOM 32256 H2 TIP3 5650 1.394 14.675 3.884 1.00 0.00 WT2 H ATOM 32257 OH2 TIP3 5651 -4.017 -3.438 0.478 1.00 0.00 WT2 O ATOM 32258 H1 TIP3 5651 4.636 4.991 15.618 1.00 0.00 WT2 H ATOM 32259 H2 TIP3 5651 -5.342 19.067 -7.889 1.00 0.00 WT2 H ATOM 32260 OH2 TIP3 5653 -5.026 1.627 -3.774 1.00 0.00 WT2 O ATOM 32261 H1 TIP3 5653 -8.397 5.361 0.566 1.00 0.00 WT2 H ATOM 32262 H2 TIP3 5653 -1.069 -3.502 -0.411 1.00 0.00 WT2 H ATOM 32263 OH2 TIP3 5654 3.660 -6.349 1.824 1.00 0.00 WT2 O ATOM 32264 H1 TIP3 5654 11.768 9.544 10.870 1.00 0.00 WT2 H ATOM 32265 H2 TIP3 5654 28.274 12.785 -32.415 1.00 0.00 WT2 H ATOM 32266 OH2 TIP3 5655 1.199 3.531 -2.058 1.00 0.00 WT2 O ATOM 32267 H1 TIP3 5655 -19.598 -39.965 -23.839 1.00 0.00 WT2 H ATOM 32268 H2 TIP3 5655 -10.322 -25.489 0.294 1.00 0.00 WT2 H ATOM 32269 OH2 TIP3 5656 1.261 3.116 2.888 1.00 0.00 WT2 O ATOM 32270 H1 TIP3 5656 -3.493 9.639 6.358 1.00 0.00 WT2 H ATOM 32271 H2 TIP3 5656 10.446 -4.475 3.361 1.00 0.00 WT2 H ATOM 32272 OH2 TIP3 5669 -7.405 -2.253 -2.872 1.00 0.00 WT2 O ATOM 32273 H1 TIP3 5669 -19.327 4.286 1.784 1.00 0.00 WT2 H ATOM 32274 H2 TIP3 5669 -4.384 -2.757 -3.277 1.00 0.00 WT2 H ATOM 32275 OH2 TIP3 5673 -1.723 -0.098 5.296 1.00 0.00 WT2 O ATOM 32276 H1 TIP3 5673 -26.968 -5.654 -17.715 1.00 0.00 WT2 H ATOM 32277 H2 TIP3 5673 15.140 -17.697 -7.463 1.00 0.00 WT2 H ATOM 32278 OH2 TIP3 5674 -0.344 -1.329 3.242 1.00 0.00 WT2 O ATOM 32279 H1 TIP3 5674 19.733 -7.576 5.955 1.00 0.00 WT2 H ATOM 32280 H2 TIP3 5674 -17.390 9.352 14.663 1.00 0.00 WT2 H ATOM 32281 OH2 TIP3 5675 -2.075 1.683 5.694 1.00 0.00 WT2 O ATOM 32282 H1 TIP3 5675 12.381 -9.159 -21.887 1.00 0.00 WT2 H ATOM 32283 H2 TIP3 5675 -15.823 14.529 0.670 1.00 0.00 WT2 H ATOM 32284 OH2 TIP3 5676 -0.989 3.936 -3.319 1.00 0.00 WT2 O ATOM 32285 H1 TIP3 5676 8.639 -10.045 3.882 1.00 0.00 WT2 H ATOM 32286 H2 TIP3 5676 -9.654 8.375 -7.969 1.00 0.00 WT2 H ATOM 32287 OH2 TIP3 5678 -0.391 4.393 1.718 1.00 0.00 WT2 O ATOM 32288 H1 TIP3 5678 -5.816 -6.783 -9.474 1.00 0.00 WT2 H ATOM 32289 H2 TIP3 5678 5.191 8.238 11.908 1.00 0.00 WT2 H ATOM 32290 OH2 TIP3 5679 3.472 1.749 0.926 1.00 0.00 WT2 O ATOM 32291 H1 TIP3 5679 1.004 0.114 4.701 1.00 0.00 WT2 H ATOM 32292 H2 TIP3 5679 4.292 2.481 1.319 1.00 0.00 WT2 H ATOM 32293 OH2 TIP3 5687 1.352 -2.581 -2.612 1.00 0.00 WT2 O ATOM 32294 H1 TIP3 5687 25.772 4.591 26.622 1.00 0.00 WT2 H ATOM 32295 H2 TIP3 5687 -20.996 19.044 10.845 1.00 0.00 WT2 H ATOM 32296 OH2 TIP3 5690 5.517 3.051 -2.056 1.00 0.00 WT2 O ATOM 32297 H1 TIP3 5690 16.310 4.128 1.479 1.00 0.00 WT2 H ATOM 32298 H2 TIP3 5690 1.154 22.517 13.178 1.00 0.00 WT2 H ATOM 32299 OH2 TIP3 5692 2.965 -2.613 -2.190 1.00 0.00 WT2 O ATOM 32300 H1 TIP3 5692 6.695 -10.940 -4.744 1.00 0.00 WT2 H ATOM 32301 H2 TIP3 5692 2.056 22.859 -16.373 1.00 0.00 WT2 H ATOM 32302 OH2 TIP3 5693 3.059 -5.289 -3.880 1.00 0.00 WT2 O ATOM 32303 H1 TIP3 5693 3.906 4.271 -3.448 1.00 0.00 WT2 H ATOM 32304 H2 TIP3 5693 -5.720 11.349 -5.495 1.00 0.00 WT2 H ATOM 32305 OH2 TIP3 5694 -1.144 -1.629 -1.198 1.00 0.00 WT2 O ATOM 32306 H1 TIP3 5694 -17.704 2.526 -1.672 1.00 0.00 WT2 H ATOM 32307 H2 TIP3 5694 -13.807 5.924 -2.265 1.00 0.00 WT2 H ATOM 32308 OH2 TIP3 5695 -5.734 -2.487 1.499 1.00 0.00 WT2 O ATOM 32309 H1 TIP3 5695 -13.650 3.240 -8.268 1.00 0.00 WT2 H ATOM 32310 H2 TIP3 5695 7.033 4.161 0.947 1.00 0.00 WT2 H ATOM 32311 OH2 TIP3 5697 -4.388 -1.338 0.734 1.00 0.00 WT2 O ATOM 32312 H1 TIP3 5697 1.926 -8.409 -9.970 1.00 0.00 WT2 H ATOM 32313 H2 TIP3 5697 -7.760 12.998 25.969 1.00 0.00 WT2 H ATOM 32314 OH2 TIP3 5702 -1.822 -4.861 -0.280 1.00 0.00 WT2 O ATOM 32315 H1 TIP3 5702 2.788 18.031 10.798 1.00 0.00 WT2 H ATOM 32316 H2 TIP3 5702 5.022 -24.831 -21.079 1.00 0.00 WT2 H ATOM 32317 OH2 TIP3 5710 -2.894 -1.863 3.838 1.00 0.00 WT2 O ATOM 32318 H1 TIP3 5710 3.856 -3.775 -15.760 1.00 0.00 WT2 H ATOM 32319 H2 TIP3 5710 -4.045 -6.638 -3.466 1.00 0.00 WT2 H ATOM 32320 OH2 TIP3 5711 -3.055 -1.089 3.791 1.00 0.00 WT2 O ATOM 32321 H1 TIP3 5711 -4.395 -5.826 -4.394 1.00 0.00 WT2 H ATOM 32322 H2 TIP3 5711 2.346 -6.267 6.962 1.00 0.00 WT2 H ATOM 32323 OH2 TIP3 5713 2.046 -0.324 8.393 1.00 0.00 WT2 O ATOM 32324 H1 TIP3 5713 -7.868 0.252 10.373 1.00 0.00 WT2 H ATOM 32325 H2 TIP3 5713 -1.527 10.894 5.885 1.00 0.00 WT2 H ATOM 32326 OH2 TIP3 5714 -1.045 6.228 3.011 1.00 0.00 WT2 O ATOM 32327 H1 TIP3 5714 -11.520 3.245 -11.949 1.00 0.00 WT2 H ATOM 32328 H2 TIP3 5714 -19.096 10.566 -8.403 1.00 0.00 WT2 H ATOM 32329 OH2 TIP3 5716 2.709 1.676 -3.996 1.00 0.00 WT2 O ATOM 32330 H1 TIP3 5716 -6.143 1.609 -1.972 1.00 0.00 WT2 H ATOM 32331 H2 TIP3 5716 -1.051 -5.585 -0.454 1.00 0.00 WT2 H ATOM 32332 OH2 TIP3 5717 -6.653 0.206 -1.247 1.00 0.00 WT2 O ATOM 32333 H1 TIP3 5717 -6.227 -1.465 -1.514 1.00 0.00 WT2 H ATOM 32334 H2 TIP3 5717 -3.238 -2.593 2.885 1.00 0.00 WT2 H ATOM 32335 OH2 TIP3 5720 -0.764 -2.900 4.439 1.00 0.00 WT2 O ATOM 32336 H1 TIP3 5720 16.819 12.293 -7.891 1.00 0.00 WT2 H ATOM 32337 H2 TIP3 5720 2.657 -3.544 -21.238 1.00 0.00 WT2 H ATOM 32338 OH2 TIP3 5730 2.424 -1.920 2.271 1.00 0.00 WT2 O ATOM 32339 H1 TIP3 5730 -0.944 9.415 0.113 1.00 0.00 WT2 H ATOM 32340 H2 TIP3 5730 -2.147 -7.847 10.899 1.00 0.00 WT2 H ATOM 32341 OH2 TIP3 5734 4.449 -1.698 -2.313 1.00 0.00 WT2 O ATOM 32342 H1 TIP3 5734 1.796 5.734 12.649 1.00 0.00 WT2 H ATOM 32343 H2 TIP3 5734 -31.626 11.475 -3.303 1.00 0.00 WT2 H ATOM 32344 OH2 TIP3 5735 9.917 1.253 -0.093 1.00 0.00 WT2 O ATOM 32345 H1 TIP3 5735 -7.023 14.047 2.751 1.00 0.00 WT2 H ATOM 32346 H2 TIP3 5735 24.398 14.072 -9.572 1.00 0.00 WT2 H ATOM 32347 OH2 TIP3 5736 -0.336 -8.531 8.448 1.00 0.00 WT2 O ATOM 32348 H1 TIP3 5736 35.408 -9.293 20.865 1.00 0.00 WT2 H ATOM 32349 H2 TIP3 5736 -10.154 -1.101 12.666 1.00 0.00 WT2 H ATOM 32350 OH2 TIP3 5738 5.906 0.324 -2.571 1.00 0.00 WT2 O ATOM 32351 H1 TIP3 5738 9.663 -9.894 10.330 1.00 0.00 WT2 H ATOM 32352 H2 TIP3 5738 3.269 3.619 2.570 1.00 0.00 WT2 H ATOM 32353 OH2 TIP3 5740 0.859 -0.322 -4.939 1.00 0.00 WT2 O ATOM 32354 H1 TIP3 5740 24.448 -16.082 -5.577 1.00 0.00 WT2 H ATOM 32355 H2 TIP3 5740 -19.635 23.036 -41.555 1.00 0.00 WT2 H ATOM 32356 OH2 TIP3 5743 -0.536 -6.133 0.388 1.00 0.00 WT2 O ATOM 32357 H1 TIP3 5743 -8.873 13.049 27.051 1.00 0.00 WT2 H ATOM 32358 H2 TIP3 5743 -11.834 -10.807 15.789 1.00 0.00 WT2 H ATOM 32359 OH2 TIP3 5755 -1.103 4.819 -0.344 1.00 0.00 WT2 O ATOM 32360 H1 TIP3 5755 1.559 -18.636 13.898 1.00 0.00 WT2 H ATOM 32361 H2 TIP3 5755 4.820 36.821 -21.895 1.00 0.00 WT2 H ATOM 32362 OH2 TIP3 5756 2.044 -2.108 0.730 1.00 0.00 WT2 O ATOM 32363 H1 TIP3 5756 -0.322 -5.842 0.773 1.00 0.00 WT2 H ATOM 32364 H2 TIP3 5756 -17.310 -1.009 14.095 1.00 0.00 WT2 H ATOM 32365 OH2 TIP3 5758 4.862 -3.027 -0.562 1.00 0.00 WT2 O ATOM 32366 H1 TIP3 5758 10.120 -6.084 13.393 1.00 0.00 WT2 H ATOM 32367 H2 TIP3 5758 13.807 5.372 -3.533 1.00 0.00 WT2 H ATOM 32368 OH2 TIP3 5759 -1.125 -1.729 6.645 1.00 0.00 WT2 O ATOM 32369 H1 TIP3 5759 -7.216 -13.006 2.231 1.00 0.00 WT2 H ATOM 32370 H2 TIP3 5759 -0.709 -7.067 -3.136 1.00 0.00 WT2 H ATOM 32371 OH2 TIP3 5761 -1.545 0.413 -1.414 1.00 0.00 WT2 O ATOM 32372 H1 TIP3 5761 -3.583 11.918 -0.226 1.00 0.00 WT2 H ATOM 32373 H2 TIP3 5761 -6.678 -12.178 3.699 1.00 0.00 WT2 H ATOM 32374 OH2 TIP3 5762 -6.033 -0.157 2.528 1.00 0.00 WT2 O ATOM 32375 H1 TIP3 5762 18.800 5.166 -3.711 1.00 0.00 WT2 H ATOM 32376 H2 TIP3 5762 -14.429 19.168 16.150 1.00 0.00 WT2 H ATOM 32377 OH2 TIP3 5764 5.449 4.817 -0.239 1.00 0.00 WT2 O ATOM 32378 H1 TIP3 5764 5.310 1.822 -1.097 1.00 0.00 WT2 H ATOM 32379 H2 TIP3 5764 6.768 19.470 -4.520 1.00 0.00 WT2 H ATOM 32380 OH2 TIP3 5767 6.916 3.372 -4.646 1.00 0.00 WT2 O ATOM 32381 H1 TIP3 5767 -22.195 12.316 -25.965 1.00 0.00 WT2 H ATOM 32382 H2 TIP3 5767 -1.712 5.969 10.531 1.00 0.00 WT2 H ATOM 32383 OH2 TIP3 5768 -1.458 -0.554 -1.591 1.00 0.00 WT2 O ATOM 32384 H1 TIP3 5768 -8.437 0.640 -16.527 1.00 0.00 WT2 H ATOM 32385 H2 TIP3 5768 -5.273 14.583 4.712 1.00 0.00 WT2 H ATOM 32386 OH2 TIP3 5775 -4.872 3.127 -0.295 1.00 0.00 WT2 O ATOM 32387 H1 TIP3 5775 -3.669 -3.757 -6.237 1.00 0.00 WT2 H ATOM 32388 H2 TIP3 5775 -19.922 -8.609 2.959 1.00 0.00 WT2 H ATOM 32389 OH2 TIP3 5777 2.323 -4.522 -2.840 1.00 0.00 WT2 O ATOM 32390 H1 TIP3 5777 1.573 -0.943 -2.771 1.00 0.00 WT2 H ATOM 32391 H2 TIP3 5777 4.888 -17.672 -3.817 1.00 0.00 WT2 H ATOM 32392 OH2 TIP3 5778 1.518 -0.263 1.423 1.00 0.00 WT2 O ATOM 32393 H1 TIP3 5778 -5.952 -4.951 -0.040 1.00 0.00 WT2 H ATOM 32394 H2 TIP3 5778 4.292 17.931 -3.944 1.00 0.00 WT2 H ATOM 32395 OH2 TIP3 5779 -7.284 5.470 4.679 1.00 0.00 WT2 O ATOM 32396 H1 TIP3 5779 -15.350 3.199 -11.555 1.00 0.00 WT2 H ATOM 32397 H2 TIP3 5779 -9.798 -15.918 -33.345 1.00 0.00 WT2 H ATOM 32398 OH2 TIP3 5780 -1.418 -7.010 1.590 1.00 0.00 WT2 O ATOM 32399 H1 TIP3 5780 19.121 2.693 -23.531 1.00 0.00 WT2 H ATOM 32400 H2 TIP3 5780 9.073 -7.483 6.687 1.00 0.00 WT2 H ATOM 32401 OH2 TIP3 5795 0.156 2.626 -3.331 1.00 0.00 WT2 O ATOM 32402 H1 TIP3 5795 21.748 2.632 -2.139 1.00 0.00 WT2 H ATOM 32403 H2 TIP3 5795 -7.833 -0.903 -21.298 1.00 0.00 WT2 H ATOM 32404 OH2 TIP3 5797 3.383 5.871 -1.165 1.00 0.00 WT2 O ATOM 32405 H1 TIP3 5797 -1.310 -9.611 3.388 1.00 0.00 WT2 H ATOM 32406 H2 TIP3 5797 7.092 3.989 4.731 1.00 0.00 WT2 H ATOM 32407 OH2 TIP3 5798 2.736 0.929 2.237 1.00 0.00 WT2 O ATOM 32408 H1 TIP3 5798 -0.176 -0.580 7.189 1.00 0.00 WT2 H ATOM 32409 H2 TIP3 5798 3.291 0.345 2.960 1.00 0.00 WT2 H ATOM 32410 OH2 TIP3 5799 -2.325 -4.779 5.379 1.00 0.00 WT2 O ATOM 32411 H1 TIP3 5799 -4.549 -3.249 -17.930 1.00 0.00 WT2 H ATOM 32412 H2 TIP3 5799 -1.380 -5.040 16.980 1.00 0.00 WT2 H ATOM 32413 OH2 TIP3 5800 -1.086 -1.031 -0.496 1.00 0.00 WT2 O ATOM 32414 H1 TIP3 5800 1.286 -8.640 -15.003 1.00 0.00 WT2 H ATOM 32415 H2 TIP3 5800 6.352 -7.617 0.738 1.00 0.00 WT2 H ATOM 32416 OH2 TIP3 5801 -4.213 1.217 2.546 1.00 0.00 WT2 O ATOM 32417 H1 TIP3 5801 11.872 -7.462 8.987 1.00 0.00 WT2 H ATOM 32418 H2 TIP3 5801 -11.005 -1.403 -3.515 1.00 0.00 WT2 H ATOM 32419 OH2 TIP3 5802 -0.009 -6.890 -3.206 1.00 0.00 WT2 O ATOM 32420 H1 TIP3 5802 -1.950 -23.293 -5.000 1.00 0.00 WT2 H ATOM 32421 H2 TIP3 5802 6.858 1.979 -10.344 1.00 0.00 WT2 H ATOM 32422 OH2 TIP3 5818 0.302 -2.344 -1.140 1.00 0.00 WT2 O ATOM 32423 H1 TIP3 5818 11.183 6.240 0.375 1.00 0.00 WT2 H ATOM 32424 H2 TIP3 5818 22.668 14.127 6.983 1.00 0.00 WT2 H ATOM 32425 OH2 TIP3 5819 6.342 4.181 1.329 1.00 0.00 WT2 O ATOM 32426 H1 TIP3 5819 -6.975 3.556 8.164 1.00 0.00 WT2 H ATOM 32427 H2 TIP3 5819 -24.329 10.426 28.096 1.00 0.00 WT2 H ATOM 32428 OH2 TIP3 5820 -8.251 -2.157 6.085 1.00 0.00 WT2 O ATOM 32429 H1 TIP3 5820 2.067 -6.269 -4.349 1.00 0.00 WT2 H ATOM 32430 H2 TIP3 5820 18.081 -12.183 -22.954 1.00 0.00 WT2 H ATOM 32431 OH2 TIP3 5821 -3.402 0.109 1.292 1.00 0.00 WT2 O ATOM 32432 H1 TIP3 5821 -7.578 11.901 -8.853 1.00 0.00 WT2 H ATOM 32433 H2 TIP3 5821 -7.006 5.854 13.328 1.00 0.00 WT2 H ATOM 32434 OH2 TIP3 5822 -1.275 -0.608 -8.521 1.00 0.00 WT2 O ATOM 32435 H1 TIP3 5822 -8.412 0.871 -10.519 1.00 0.00 WT2 H ATOM 32436 H2 TIP3 5822 3.860 -2.238 12.677 1.00 0.00 WT2 H ATOM 32437 OH2 TIP3 5823 8.166 1.040 4.319 1.00 0.00 WT2 O ATOM 32438 H1 TIP3 5823 -15.037 -27.010 -0.875 1.00 0.00 WT2 H ATOM 32439 H2 TIP3 5823 7.388 -7.434 -1.864 1.00 0.00 WT2 H ATOM 32440 OH2 TIP3 5825 -7.590 0.794 4.030 1.00 0.00 WT2 O ATOM 32441 H1 TIP3 5825 5.455 -8.641 -5.003 1.00 0.00 WT2 H ATOM 32442 H2 TIP3 5825 -10.730 14.385 -5.884 1.00 0.00 WT2 H ATOM 32443 OH2 TIP3 5828 -1.132 4.461 3.539 1.00 0.00 WT2 O ATOM 32444 H1 TIP3 5828 6.675 -4.499 -0.706 1.00 0.00 WT2 H ATOM 32445 H2 TIP3 5828 -7.621 -3.160 6.079 1.00 0.00 WT2 H ATOM 32446 OH2 TIP3 5836 -1.431 -1.630 2.206 1.00 0.00 WT2 O ATOM 32447 H1 TIP3 5836 8.088 -5.154 -2.956 1.00 0.00 WT2 H ATOM 32448 H2 TIP3 5836 8.313 -2.470 21.679 1.00 0.00 WT2 H ATOM 32449 OH2 TIP3 5837 2.598 1.480 -2.623 1.00 0.00 WT2 O ATOM 32450 H1 TIP3 5837 17.355 23.559 6.218 1.00 0.00 WT2 H ATOM 32451 H2 TIP3 5837 11.197 20.759 0.018 1.00 0.00 WT2 H ATOM 32452 OH2 TIP3 5839 -0.991 -2.489 -1.941 1.00 0.00 WT2 O ATOM 32453 H1 TIP3 5839 1.583 -4.110 -6.916 1.00 0.00 WT2 H ATOM 32454 H2 TIP3 5839 6.360 -4.936 -2.524 1.00 0.00 WT2 H ATOM 32455 OH2 TIP3 5840 -1.260 -3.299 0.383 1.00 0.00 WT2 O ATOM 32456 H1 TIP3 5840 -12.382 -9.985 10.478 1.00 0.00 WT2 H ATOM 32457 H2 TIP3 5840 -27.602 -17.216 22.080 1.00 0.00 WT2 H ATOM 32458 OH2 TIP3 5841 -1.809 7.111 8.009 1.00 0.00 WT2 O ATOM 32459 H1 TIP3 5841 13.101 -8.234 3.895 1.00 0.00 WT2 H ATOM 32460 H2 TIP3 5841 -3.871 10.715 11.417 1.00 0.00 WT2 H ATOM 32461 OH2 TIP3 5843 -2.283 -1.390 -0.164 1.00 0.00 WT2 O ATOM 32462 H1 TIP3 5843 -15.516 -1.864 -13.999 1.00 0.00 WT2 H ATOM 32463 H2 TIP3 5843 10.113 -8.783 10.315 1.00 0.00 WT2 H ATOM 32464 OH2 TIP3 5844 -1.500 1.324 -6.109 1.00 0.00 WT2 O ATOM 32465 H1 TIP3 5844 -4.350 -11.785 1.545 1.00 0.00 WT2 H ATOM 32466 H2 TIP3 5844 0.810 9.852 -9.752 1.00 0.00 WT2 H ATOM 32467 OH2 TIP3 5846 1.982 -4.011 -0.519 1.00 0.00 WT2 O ATOM 32468 H1 TIP3 5846 -25.216 -3.435 -16.614 1.00 0.00 WT2 H ATOM 32469 H2 TIP3 5846 -2.306 -4.898 -2.534 1.00 0.00 WT2 H ATOM 32470 OH2 TIP3 5859 -1.493 5.822 4.963 1.00 0.00 WT2 O ATOM 32471 H1 TIP3 5859 -1.805 -1.796 8.613 1.00 0.00 WT2 H ATOM 32472 H2 TIP3 5859 12.919 -1.184 -9.094 1.00 0.00 WT2 H ATOM 32473 OH2 TIP3 5860 -2.536 0.768 -0.033 1.00 0.00 WT2 O ATOM 32474 H1 TIP3 5860 -1.186 5.087 18.751 1.00 0.00 WT2 H ATOM 32475 H2 TIP3 5860 8.875 -14.915 -3.862 1.00 0.00 WT2 H ATOM 32476 OH2 TIP3 5861 -3.640 2.384 2.062 1.00 0.00 WT2 O ATOM 32477 H1 TIP3 5861 -25.921 11.118 -0.382 1.00 0.00 WT2 H ATOM 32478 H2 TIP3 5861 -6.684 -17.009 16.181 1.00 0.00 WT2 H ATOM 32479 OH2 TIP3 5862 1.275 -2.053 1.508 1.00 0.00 WT2 O ATOM 32480 H1 TIP3 5862 -0.309 -25.548 -16.585 1.00 0.00 WT2 H ATOM 32481 H2 TIP3 5862 8.018 -11.696 -2.325 1.00 0.00 WT2 H ATOM 32482 OH2 TIP3 5863 4.766 -2.805 -2.558 1.00 0.00 WT2 O ATOM 32483 H1 TIP3 5863 -13.464 -7.690 -14.300 1.00 0.00 WT2 H ATOM 32484 H2 TIP3 5863 -14.482 -15.246 -0.741 1.00 0.00 WT2 H ATOM 32485 OH2 TIP3 5865 -2.908 -6.961 2.317 1.00 0.00 WT2 O ATOM 32486 H1 TIP3 5865 9.275 -27.385 10.995 1.00 0.00 WT2 H ATOM 32487 H2 TIP3 5865 -1.103 8.724 21.752 1.00 0.00 WT2 H ATOM 32488 OH2 TIP3 5866 -0.134 -0.571 3.877 1.00 0.00 WT2 O ATOM 32489 H1 TIP3 5866 7.750 0.441 13.903 1.00 0.00 WT2 H ATOM 32490 H2 TIP3 5866 6.330 -5.857 -10.178 1.00 0.00 WT2 H ATOM 32491 OH2 TIP3 5869 2.300 -1.946 -6.441 1.00 0.00 WT2 O ATOM 32492 H1 TIP3 5869 -9.421 0.504 -2.416 1.00 0.00 WT2 H ATOM 32493 H2 TIP3 5869 3.120 2.699 6.123 1.00 0.00 WT2 H ATOM 32494 OH2 TIP3 5881 0.952 2.188 6.396 1.00 0.00 WT2 O ATOM 32495 H1 TIP3 5881 8.072 -3.962 8.738 1.00 0.00 WT2 H ATOM 32496 H2 TIP3 5881 4.257 7.691 6.209 1.00 0.00 WT2 H ATOM 32497 OH2 TIP3 5883 -3.172 -5.681 5.342 1.00 0.00 WT2 O ATOM 32498 H1 TIP3 5883 7.796 7.623 21.243 1.00 0.00 WT2 H ATOM 32499 H2 TIP3 5883 5.028 -9.804 8.948 1.00 0.00 WT2 H ATOM 32500 OH2 TIP3 5884 -0.091 0.128 -0.930 1.00 0.00 WT2 O ATOM 32501 H1 TIP3 5884 -15.376 -10.062 15.246 1.00 0.00 WT2 H ATOM 32502 H2 TIP3 5884 19.644 -20.334 -5.828 1.00 0.00 WT2 H ATOM 32503 OH2 TIP3 5885 -1.880 1.054 2.703 1.00 0.00 WT2 O ATOM 32504 H1 TIP3 5885 -15.210 6.282 10.555 1.00 0.00 WT2 H ATOM 32505 H2 TIP3 5885 5.113 6.355 -1.154 1.00 0.00 WT2 H ATOM 32506 OH2 TIP3 5886 0.939 -6.542 -0.087 1.00 0.00 WT2 O ATOM 32507 H1 TIP3 5886 12.443 -3.267 0.955 1.00 0.00 WT2 H ATOM 32508 H2 TIP3 5886 10.375 0.893 -2.162 1.00 0.00 WT2 H ATOM 32509 OH2 TIP3 5887 -3.161 0.980 6.682 1.00 0.00 WT2 O ATOM 32510 H1 TIP3 5887 -4.268 12.490 0.853 1.00 0.00 WT2 H ATOM 32511 H2 TIP3 5887 -2.822 -8.641 4.565 1.00 0.00 WT2 H ATOM 32512 OH2 TIP3 5889 -3.636 1.847 -2.977 1.00 0.00 WT2 O ATOM 32513 H1 TIP3 5889 -1.176 -14.676 10.564 1.00 0.00 WT2 H ATOM 32514 H2 TIP3 5889 18.147 11.972 14.299 1.00 0.00 WT2 H ATOM 32515 OH2 TIP3 5899 -2.703 2.105 -4.004 1.00 0.00 WT2 O ATOM 32516 H1 TIP3 5899 3.868 6.701 0.924 1.00 0.00 WT2 H ATOM 32517 H2 TIP3 5899 8.747 -12.375 15.712 1.00 0.00 WT2 H ATOM 32518 OH2 TIP3 5901 3.771 -0.850 -2.415 1.00 0.00 WT2 O ATOM 32519 H1 TIP3 5901 18.152 3.040 -13.223 1.00 0.00 WT2 H ATOM 32520 H2 TIP3 5901 -11.148 -0.263 -16.357 1.00 0.00 WT2 H ATOM 32521 OH2 TIP3 5903 3.211 -9.620 7.024 1.00 0.00 WT2 O ATOM 32522 H1 TIP3 5903 -4.515 -35.581 -7.700 1.00 0.00 WT2 H ATOM 32523 H2 TIP3 5903 -10.344 -13.137 7.802 1.00 0.00 WT2 H ATOM 32524 OH2 TIP3 5904 5.860 -0.987 4.330 1.00 0.00 WT2 O ATOM 32525 H1 TIP3 5904 4.303 -5.905 -7.666 1.00 0.00 WT2 H ATOM 32526 H2 TIP3 5904 -12.521 -3.100 -5.656 1.00 0.00 WT2 H ATOM 32527 OH2 TIP3 5905 -0.473 -2.441 2.262 1.00 0.00 WT2 O ATOM 32528 H1 TIP3 5905 -18.046 -13.910 8.594 1.00 0.00 WT2 H ATOM 32529 H2 TIP3 5905 15.763 3.251 -13.085 1.00 0.00 WT2 H ATOM 32530 OH2 TIP3 5906 -0.571 4.618 3.147 1.00 0.00 WT2 O ATOM 32531 H1 TIP3 5906 -13.925 0.582 10.624 1.00 0.00 WT2 H ATOM 32532 H2 TIP3 5906 6.657 34.888 -13.174 1.00 0.00 WT2 H ATOM 32533 OH2 TIP3 5909 -4.526 -0.265 2.925 1.00 0.00 WT2 O ATOM 32534 H1 TIP3 5909 -2.543 -1.307 -1.807 1.00 0.00 WT2 H ATOM 32535 H2 TIP3 5909 -10.606 -8.612 -22.332 1.00 0.00 WT2 H ATOM 32536 OH2 TIP3 5911 -9.398 0.026 1.715 1.00 0.00 WT2 O ATOM 32537 H1 TIP3 5911 17.831 -16.048 21.484 1.00 0.00 WT2 H ATOM 32538 H2 TIP3 5911 -41.152 16.448 24.082 1.00 0.00 WT2 H ATOM 32539 OH2 TIP3 5920 1.221 -3.600 -3.183 1.00 0.00 WT2 O ATOM 32540 H1 TIP3 5920 24.396 -5.761 -11.344 1.00 0.00 WT2 H ATOM 32541 H2 TIP3 5920 2.879 10.521 12.891 1.00 0.00 WT2 H ATOM 32542 OH2 TIP3 5925 0.673 1.468 6.182 1.00 0.00 WT2 O ATOM 32543 H1 TIP3 5925 -2.765 -8.008 5.836 1.00 0.00 WT2 H ATOM 32544 H2 TIP3 5925 -5.618 -7.691 20.532 1.00 0.00 WT2 H ATOM 32545 OH2 TIP3 5926 -2.109 -0.192 1.677 1.00 0.00 WT2 O ATOM 32546 H1 TIP3 5926 -8.014 24.772 -5.231 1.00 0.00 WT2 H ATOM 32547 H2 TIP3 5926 -1.392 -18.242 8.531 1.00 0.00 WT2 H ATOM 32548 OH2 TIP3 5927 3.994 -1.011 -6.282 1.00 0.00 WT2 O ATOM 32549 H1 TIP3 5927 11.338 -3.366 -13.852 1.00 0.00 WT2 H ATOM 32550 H2 TIP3 5927 9.603 -2.999 -11.873 1.00 0.00 WT2 H ATOM 32551 OH2 TIP3 5928 -4.930 0.491 -9.945 1.00 0.00 WT2 O ATOM 32552 H1 TIP3 5928 0.850 -36.256 0.988 1.00 0.00 WT2 H ATOM 32553 H2 TIP3 5928 -6.946 -11.993 -5.467 1.00 0.00 WT2 H ATOM 32554 OH2 TIP3 5941 7.131 7.507 1.264 1.00 0.00 WT2 O ATOM 32555 H1 TIP3 5941 6.984 17.825 -3.154 1.00 0.00 WT2 H ATOM 32556 H2 TIP3 5941 3.765 0.022 -11.469 1.00 0.00 WT2 H ATOM 32557 OH2 TIP3 5945 3.027 3.832 2.536 1.00 0.00 WT2 O ATOM 32558 H1 TIP3 5945 -6.743 21.903 -5.777 1.00 0.00 WT2 H ATOM 32559 H2 TIP3 5945 -12.741 15.738 14.587 1.00 0.00 WT2 H ATOM 32560 OH2 TIP3 5946 2.415 -3.920 6.184 1.00 0.00 WT2 O ATOM 32561 H1 TIP3 5946 4.983 -11.305 8.670 1.00 0.00 WT2 H ATOM 32562 H2 TIP3 5946 5.271 -17.237 16.455 1.00 0.00 WT2 H ATOM 32563 OH2 TIP3 5947 0.644 -3.610 0.755 1.00 0.00 WT2 O ATOM 32564 H1 TIP3 5947 5.791 -0.125 -4.700 1.00 0.00 WT2 H ATOM 32565 H2 TIP3 5947 -7.232 -1.173 6.803 1.00 0.00 WT2 H ATOM 32566 OH2 TIP3 5948 -4.219 -6.202 2.540 1.00 0.00 WT2 O ATOM 32567 H1 TIP3 5948 -5.099 7.567 2.094 1.00 0.00 WT2 H ATOM 32568 H2 TIP3 5948 8.563 7.863 6.304 1.00 0.00 WT2 H ATOM 32569 OH2 TIP3 5949 0.557 -5.690 3.632 1.00 0.00 WT2 O ATOM 32570 H1 TIP3 5949 -1.069 -13.799 -5.851 1.00 0.00 WT2 H ATOM 32571 H2 TIP3 5949 -2.505 -6.686 9.311 1.00 0.00 WT2 H ATOM 32572 OH2 TIP3 5950 -5.102 -6.855 -5.525 1.00 0.00 WT2 O ATOM 32573 H1 TIP3 5950 -3.051 10.058 -6.741 1.00 0.00 WT2 H ATOM 32574 H2 TIP3 5950 -3.877 -11.588 10.616 1.00 0.00 WT2 H ATOM 32575 OH2 TIP3 5964 -0.201 -1.193 -1.732 1.00 0.00 WT2 O ATOM 32576 H1 TIP3 5964 0.188 -10.994 -19.108 1.00 0.00 WT2 H ATOM 32577 H2 TIP3 5964 -11.698 -0.368 -7.016 1.00 0.00 WT2 H ATOM 32578 OH2 TIP3 5965 -1.774 2.446 1.328 1.00 0.00 WT2 O ATOM 32579 H1 TIP3 5965 27.477 -29.541 -21.035 1.00 0.00 WT2 H ATOM 32580 H2 TIP3 5965 17.327 8.669 16.901 1.00 0.00 WT2 H ATOM 32581 OH2 TIP3 5966 7.486 -0.286 2.736 1.00 0.00 WT2 O ATOM 32582 H1 TIP3 5966 -20.505 16.653 20.599 1.00 0.00 WT2 H ATOM 32583 H2 TIP3 5966 7.582 21.098 -32.612 1.00 0.00 WT2 H ATOM 32584 OH2 TIP3 5968 3.097 -0.744 1.849 1.00 0.00 WT2 O ATOM 32585 H1 TIP3 5968 23.690 0.624 -6.398 1.00 0.00 WT2 H ATOM 32586 H2 TIP3 5968 31.245 -0.112 12.935 1.00 0.00 WT2 H ATOM 32587 OH2 TIP3 5969 2.009 -3.703 -2.198 1.00 0.00 WT2 O ATOM 32588 H1 TIP3 5969 1.619 3.172 -15.877 1.00 0.00 WT2 H ATOM 32589 H2 TIP3 5969 -6.893 -21.755 21.282 1.00 0.00 WT2 H ATOM 32590 OH2 TIP3 5970 1.374 1.785 -0.536 1.00 0.00 WT2 O ATOM 32591 H1 TIP3 5970 -6.438 24.166 2.784 1.00 0.00 WT2 H ATOM 32592 H2 TIP3 5970 0.991 -24.186 2.798 1.00 0.00 WT2 H ATOM 32593 OH2 TIP3 5986 1.912 -1.113 3.371 1.00 0.00 WT2 O ATOM 32594 H1 TIP3 5986 -9.264 12.610 4.103 1.00 0.00 WT2 H ATOM 32595 H2 TIP3 5986 3.294 15.760 0.785 1.00 0.00 WT2 H ATOM 32596 OH2 TIP3 5987 5.088 -1.463 1.243 1.00 0.00 WT2 O ATOM 32597 H1 TIP3 5987 10.678 -4.112 5.071 1.00 0.00 WT2 H ATOM 32598 H2 TIP3 5987 3.389 1.692 -10.619 1.00 0.00 WT2 H ATOM 32599 OH2 TIP3 5988 -2.020 -3.403 3.471 1.00 0.00 WT2 O ATOM 32600 H1 TIP3 5988 14.588 -11.554 -25.466 1.00 0.00 WT2 H ATOM 32601 H2 TIP3 5988 3.171 -3.623 0.830 1.00 0.00 WT2 H ATOM 32602 OH2 TIP3 5989 6.699 -0.370 -0.942 1.00 0.00 WT2 O ATOM 32603 H1 TIP3 5989 26.374 -14.381 -1.984 1.00 0.00 WT2 H ATOM 32604 H2 TIP3 5989 15.786 -5.852 -1.958 1.00 0.00 WT2 H ATOM 32605 OH2 TIP3 5990 5.655 -0.204 4.423 1.00 0.00 WT2 O ATOM 32606 H1 TIP3 5990 30.518 18.702 -10.345 1.00 0.00 WT2 H ATOM 32607 H2 TIP3 5990 -27.279 -2.990 17.676 1.00 0.00 WT2 H ATOM 32608 OH2 TIP3 5991 -0.071 2.386 3.102 1.00 0.00 WT2 O ATOM 32609 H1 TIP3 5991 -1.488 3.675 1.074 1.00 0.00 WT2 H ATOM 32610 H2 TIP3 5991 -1.793 -10.883 -0.389 1.00 0.00 WT2 H ATOM 32611 OH2 TIP3 5992 -1.986 5.931 -0.284 1.00 0.00 WT2 O ATOM 32612 H1 TIP3 5992 -3.852 19.044 7.745 1.00 0.00 WT2 H ATOM 32613 H2 TIP3 5992 0.927 -14.719 2.253 1.00 0.00 WT2 H ATOM 32614 OH2 TIP3 5994 -2.518 -6.998 -2.963 1.00 0.00 WT2 O ATOM 32615 H1 TIP3 5994 3.912 -10.219 2.526 1.00 0.00 WT2 H ATOM 32616 H2 TIP3 5994 -16.085 3.951 -12.173 1.00 0.00 WT2 H ATOM 32617 OH2 TIP3 6006 1.576 1.226 3.403 1.00 0.00 WT2 O ATOM 32618 H1 TIP3 6006 4.307 13.329 1.562 1.00 0.00 WT2 H ATOM 32619 H2 TIP3 6006 -12.958 -7.731 -8.222 1.00 0.00 WT2 H ATOM 32620 OH2 TIP3 6009 6.003 2.116 -2.931 1.00 0.00 WT2 O ATOM 32621 H1 TIP3 6009 14.344 1.123 18.008 1.00 0.00 WT2 H ATOM 32622 H2 TIP3 6009 8.422 -8.630 -6.524 1.00 0.00 WT2 H ATOM 32623 OH2 TIP3 6011 3.800 3.076 0.178 1.00 0.00 WT2 O ATOM 32624 H1 TIP3 6011 -1.127 3.873 1.292 1.00 0.00 WT2 H ATOM 32625 H2 TIP3 6011 -11.708 1.506 10.099 1.00 0.00 WT2 H ATOM 32626 OH2 TIP3 6013 -0.308 2.915 -4.741 1.00 0.00 WT2 O ATOM 32627 H1 TIP3 6013 15.080 -3.490 18.594 1.00 0.00 WT2 H ATOM 32628 H2 TIP3 6013 1.067 -4.432 9.293 1.00 0.00 WT2 H ATOM 32629 OH2 TIP3 6014 -1.556 -0.200 0.195 1.00 0.00 WT2 O ATOM 32630 H1 TIP3 6014 0.179 2.325 -3.066 1.00 0.00 WT2 H ATOM 32631 H2 TIP3 6014 -0.385 -12.212 3.493 1.00 0.00 WT2 H ATOM 32632 OH2 TIP3 6019 -1.009 -3.737 6.140 1.00 0.00 WT2 O ATOM 32633 H1 TIP3 6019 15.129 9.074 0.438 1.00 0.00 WT2 H ATOM 32634 H2 TIP3 6019 4.266 1.484 3.595 1.00 0.00 WT2 H ATOM 32635 OH2 TIP3 6027 4.546 3.117 -0.084 1.00 0.00 WT2 O ATOM 32636 H1 TIP3 6027 7.910 -4.312 -2.198 1.00 0.00 WT2 H ATOM 32637 H2 TIP3 6027 2.605 2.501 -5.681 1.00 0.00 WT2 H ATOM 32638 OH2 TIP3 6028 1.721 2.165 -1.871 1.00 0.00 WT2 O ATOM 32639 H1 TIP3 6028 5.497 -0.657 -13.966 1.00 0.00 WT2 H ATOM 32640 H2 TIP3 6028 10.475 -12.240 -21.181 1.00 0.00 WT2 H ATOM 32641 OH2 TIP3 6029 -3.855 -6.180 4.218 1.00 0.00 WT2 O ATOM 32642 H1 TIP3 6029 -9.293 21.279 5.702 1.00 0.00 WT2 H ATOM 32643 H2 TIP3 6029 -8.253 1.154 4.678 1.00 0.00 WT2 H ATOM 32644 OH2 TIP3 6030 4.316 0.470 -7.704 1.00 0.00 WT2 O ATOM 32645 H1 TIP3 6030 -0.207 3.278 -2.499 1.00 0.00 WT2 H ATOM 32646 H2 TIP3 6030 -3.482 -5.917 0.928 1.00 0.00 WT2 H ATOM 32647 OH2 TIP3 6031 2.692 -3.700 3.599 1.00 0.00 WT2 O ATOM 32648 H1 TIP3 6031 -1.591 25.798 -24.699 1.00 0.00 WT2 H ATOM 32649 H2 TIP3 6031 -4.638 -17.935 25.681 1.00 0.00 WT2 H ATOM 32650 OH2 TIP3 6034 2.909 2.030 -0.526 1.00 0.00 WT2 O ATOM 32651 H1 TIP3 6034 8.328 -16.836 -19.242 1.00 0.00 WT2 H ATOM 32652 H2 TIP3 6034 -3.516 16.785 15.798 1.00 0.00 WT2 H ATOM 32653 OH2 TIP3 6035 -4.847 5.356 -0.714 1.00 0.00 WT2 O ATOM 32654 H1 TIP3 6035 -11.051 -21.534 3.016 1.00 0.00 WT2 H ATOM 32655 H2 TIP3 6035 -30.282 26.922 -18.736 1.00 0.00 WT2 H ATOM 32656 OH2 TIP3 6036 2.875 1.872 -0.420 1.00 0.00 WT2 O ATOM 32657 H1 TIP3 6036 3.018 0.919 31.453 1.00 0.00 WT2 H ATOM 32658 H2 TIP3 6036 14.196 1.208 12.979 1.00 0.00 WT2 H ATOM 32659 OH2 TIP3 6037 0.263 -0.879 -0.658 1.00 0.00 WT2 O ATOM 32660 H1 TIP3 6037 -8.781 -9.281 -7.633 1.00 0.00 WT2 H ATOM 32661 H2 TIP3 6037 11.206 -5.402 -18.623 1.00 0.00 WT2 H ATOM 32662 OH2 TIP3 6046 8.234 -0.236 2.647 1.00 0.00 WT2 O ATOM 32663 H1 TIP3 6046 1.631 9.711 -5.376 1.00 0.00 WT2 H ATOM 32664 H2 TIP3 6046 5.223 1.306 2.821 1.00 0.00 WT2 H ATOM 32665 OH2 TIP3 6048 1.884 -3.950 -2.093 1.00 0.00 WT2 O ATOM 32666 H1 TIP3 6048 14.867 0.569 11.057 1.00 0.00 WT2 H ATOM 32667 H2 TIP3 6048 -4.037 -7.094 -11.410 1.00 0.00 WT2 H ATOM 32668 OH2 TIP3 6049 -5.973 -0.742 -2.177 1.00 0.00 WT2 O ATOM 32669 H1 TIP3 6049 10.721 -0.725 -13.832 1.00 0.00 WT2 H ATOM 32670 H2 TIP3 6049 8.831 -4.273 -13.256 1.00 0.00 WT2 H ATOM 32671 OH2 TIP3 6051 -2.885 4.322 -1.318 1.00 0.00 WT2 O ATOM 32672 H1 TIP3 6051 5.109 -6.148 -0.414 1.00 0.00 WT2 H ATOM 32673 H2 TIP3 6051 -1.963 5.337 -0.116 1.00 0.00 WT2 H ATOM 32674 OH2 TIP3 6054 0.232 1.366 -0.226 1.00 0.00 WT2 O ATOM 32675 H1 TIP3 6054 3.349 1.521 -2.535 1.00 0.00 WT2 H ATOM 32676 H2 TIP3 6054 2.331 4.455 11.104 1.00 0.00 WT2 H ATOM 32677 OH2 TIP3 6068 -0.962 -1.679 -10.081 1.00 0.00 WT2 O ATOM 32678 H1 TIP3 6068 -43.565 -28.701 6.435 1.00 0.00 WT2 H ATOM 32679 H2 TIP3 6068 30.725 -6.232 -21.530 1.00 0.00 WT2 H ATOM 32680 OH2 TIP3 6070 -2.320 -2.274 1.170 1.00 0.00 WT2 O ATOM 32681 H1 TIP3 6070 5.057 -21.539 1.041 1.00 0.00 WT2 H ATOM 32682 H2 TIP3 6070 13.454 8.312 -3.414 1.00 0.00 WT2 H ATOM 32683 OH2 TIP3 6072 -1.373 4.880 -5.042 1.00 0.00 WT2 O ATOM 32684 H1 TIP3 6072 12.497 20.765 -15.196 1.00 0.00 WT2 H ATOM 32685 H2 TIP3 6072 -6.438 -17.346 -12.684 1.00 0.00 WT2 H ATOM 32686 OH2 TIP3 6073 -0.258 -4.039 -2.698 1.00 0.00 WT2 O ATOM 32687 H1 TIP3 6073 26.592 -15.332 14.425 1.00 0.00 WT2 H ATOM 32688 H2 TIP3 6073 -7.102 0.663 -7.571 1.00 0.00 WT2 H ATOM 32689 OH2 TIP3 6074 4.502 -6.644 2.393 1.00 0.00 WT2 O ATOM 32690 H1 TIP3 6074 22.232 4.838 -0.869 1.00 0.00 WT2 H ATOM 32691 H2 TIP3 6074 -12.289 -21.427 -24.326 1.00 0.00 WT2 H ATOM 32692 OH2 TIP3 6075 7.122 -2.971 3.617 1.00 0.00 WT2 O ATOM 32693 H1 TIP3 6075 -6.635 0.488 18.556 1.00 0.00 WT2 H ATOM 32694 H2 TIP3 6075 8.147 3.327 -14.111 1.00 0.00 WT2 H ATOM 32695 OH2 TIP3 6077 -5.412 -8.771 0.584 1.00 0.00 WT2 O ATOM 32696 H1 TIP3 6077 -11.565 -1.294 -8.376 1.00 0.00 WT2 H ATOM 32697 H2 TIP3 6077 11.589 30.744 2.481 1.00 0.00 WT2 H ATOM 32698 OH2 TIP3 6079 -2.342 -2.663 -2.291 1.00 0.00 WT2 O ATOM 32699 H1 TIP3 6079 -6.874 -6.492 4.782 1.00 0.00 WT2 H ATOM 32700 H2 TIP3 6079 -6.959 -7.084 9.900 1.00 0.00 WT2 H ATOM 32701 OH2 TIP3 6090 -1.015 -2.808 -1.088 1.00 0.00 WT2 O ATOM 32702 H1 TIP3 6090 -5.965 -8.014 -7.834 1.00 0.00 WT2 H ATOM 32703 H2 TIP3 6090 -4.836 -6.322 -5.173 1.00 0.00 WT2 H ATOM 32704 OH2 TIP3 6091 3.407 -3.783 14.662 1.00 0.00 WT2 O ATOM 32705 H1 TIP3 6091 -15.104 7.082 -2.939 1.00 0.00 WT2 H ATOM 32706 H2 TIP3 6091 7.064 -6.057 17.672 1.00 0.00 WT2 H ATOM 32707 OH2 TIP3 6093 0.665 -1.235 3.754 1.00 0.00 WT2 O ATOM 32708 H1 TIP3 6093 9.232 10.213 13.078 1.00 0.00 WT2 H ATOM 32709 H2 TIP3 6093 10.662 15.257 1.749 1.00 0.00 WT2 H ATOM 32710 OH2 TIP3 6095 2.924 -2.082 7.042 1.00 0.00 WT2 O ATOM 32711 H1 TIP3 6095 5.378 7.818 19.417 1.00 0.00 WT2 H ATOM 32712 H2 TIP3 6095 4.234 -9.035 13.126 1.00 0.00 WT2 H ATOM 32713 OH2 TIP3 6096 -10.644 2.642 -0.464 1.00 0.00 WT2 O ATOM 32714 H1 TIP3 6096 5.653 -7.942 14.060 1.00 0.00 WT2 H ATOM 32715 H2 TIP3 6096 5.546 -2.133 0.853 1.00 0.00 WT2 H ATOM 32716 OH2 TIP3 6097 -2.992 -0.554 -6.586 1.00 0.00 WT2 O ATOM 32717 H1 TIP3 6097 -13.659 18.989 9.258 1.00 0.00 WT2 H ATOM 32718 H2 TIP3 6097 3.521 -21.738 0.003 1.00 0.00 WT2 H ATOM 32719 OH2 TIP3 6098 -1.699 2.105 1.024 1.00 0.00 WT2 O ATOM 32720 H1 TIP3 6098 23.618 -22.618 2.066 1.00 0.00 WT2 H ATOM 32721 H2 TIP3 6098 9.095 13.142 21.261 1.00 0.00 WT2 H ATOM 32722 OH2 TIP3 6100 0.506 -0.070 -0.919 1.00 0.00 WT2 O ATOM 32723 H1 TIP3 6100 -2.009 7.605 5.429 1.00 0.00 WT2 H ATOM 32724 H2 TIP3 6100 5.370 -7.240 12.641 1.00 0.00 WT2 H ATOM 32725 OH2 TIP3 6102 -1.641 2.439 1.964 1.00 0.00 WT2 O ATOM 32726 H1 TIP3 6102 -20.960 19.926 33.278 1.00 0.00 WT2 H ATOM 32727 H2 TIP3 6102 -0.825 26.922 13.065 1.00 0.00 WT2 H ATOM 32728 OH2 TIP3 6110 -0.010 -1.596 -2.252 1.00 0.00 WT2 O ATOM 32729 H1 TIP3 6110 12.428 -11.908 9.921 1.00 0.00 WT2 H ATOM 32730 H2 TIP3 6110 -8.673 -22.543 -31.087 1.00 0.00 WT2 H ATOM 32731 OH2 TIP3 6112 4.272 0.763 -5.260 1.00 0.00 WT2 O ATOM 32732 H1 TIP3 6112 7.452 1.600 -3.774 1.00 0.00 WT2 H ATOM 32733 H2 TIP3 6112 -2.009 -1.493 -4.543 1.00 0.00 WT2 H ATOM 32734 OH2 TIP3 6113 3.202 -0.909 3.878 1.00 0.00 WT2 O ATOM 32735 H1 TIP3 6113 5.517 -4.328 13.148 1.00 0.00 WT2 H ATOM 32736 H2 TIP3 6113 -18.381 -24.107 -29.004 1.00 0.00 WT2 H ATOM 32737 OH2 TIP3 6115 -0.394 2.624 -4.667 1.00 0.00 WT2 O ATOM 32738 H1 TIP3 6115 -5.811 6.903 19.099 1.00 0.00 WT2 H ATOM 32739 H2 TIP3 6115 -3.382 0.431 -4.633 1.00 0.00 WT2 H ATOM 32740 OH2 TIP3 6116 1.956 -1.079 7.132 1.00 0.00 WT2 O ATOM 32741 H1 TIP3 6116 -2.418 -11.084 -7.432 1.00 0.00 WT2 H ATOM 32742 H2 TIP3 6116 18.303 -0.200 -0.304 1.00 0.00 WT2 H ATOM 32743 OH2 TIP3 6117 1.816 -3.517 -1.246 1.00 0.00 WT2 O ATOM 32744 H1 TIP3 6117 -16.057 -9.922 34.283 1.00 0.00 WT2 H ATOM 32745 H2 TIP3 6117 8.868 -21.764 -11.923 1.00 0.00 WT2 H ATOM 32746 OH2 TIP3 6120 2.148 1.157 -0.195 1.00 0.00 WT2 O ATOM 32747 H1 TIP3 6120 -0.657 -2.525 0.732 1.00 0.00 WT2 H ATOM 32748 H2 TIP3 6120 -8.083 -7.646 25.920 1.00 0.00 WT2 H ATOM 32749 OH2 TIP3 6132 -2.434 1.583 3.107 1.00 0.00 WT2 O ATOM 32750 H1 TIP3 6132 -17.444 -11.299 6.774 1.00 0.00 WT2 H ATOM 32751 H2 TIP3 6132 -2.000 1.836 -15.855 1.00 0.00 WT2 H ATOM 32752 OH2 TIP3 6133 0.884 -4.646 2.379 1.00 0.00 WT2 O ATOM 32753 H1 TIP3 6133 -7.421 -10.570 -23.817 1.00 0.00 WT2 H ATOM 32754 H2 TIP3 6133 -33.073 -38.204 0.176 1.00 0.00 WT2 H ATOM 32755 OH2 TIP3 6134 2.231 -2.017 -7.061 1.00 0.00 WT2 O ATOM 32756 H1 TIP3 6134 -1.015 -0.163 15.840 1.00 0.00 WT2 H ATOM 32757 H2 TIP3 6134 -7.120 -6.736 -15.439 1.00 0.00 WT2 H ATOM 32758 OH2 TIP3 6136 0.179 5.664 2.406 1.00 0.00 WT2 O ATOM 32759 H1 TIP3 6136 6.707 4.134 -12.085 1.00 0.00 WT2 H ATOM 32760 H2 TIP3 6136 -4.712 2.793 -7.135 1.00 0.00 WT2 H ATOM 32761 OH2 TIP3 6137 2.549 0.080 6.330 1.00 0.00 WT2 O ATOM 32762 H1 TIP3 6137 5.607 0.158 8.011 1.00 0.00 WT2 H ATOM 32763 H2 TIP3 6137 0.245 14.242 -12.171 1.00 0.00 WT2 H ATOM 32764 OH2 TIP3 6138 -1.555 7.242 5.595 1.00 0.00 WT2 O ATOM 32765 H1 TIP3 6138 -10.421 -6.051 1.238 1.00 0.00 WT2 H ATOM 32766 H2 TIP3 6138 13.252 22.524 9.789 1.00 0.00 WT2 H ATOM 32767 OH2 TIP3 6141 -5.739 -3.059 4.855 1.00 0.00 WT2 O ATOM 32768 H1 TIP3 6141 -3.521 -2.595 -2.294 1.00 0.00 WT2 H ATOM 32769 H2 TIP3 6141 -5.077 -4.811 12.025 1.00 0.00 WT2 H ATOM 32770 OH2 TIP3 6155 0.363 0.460 -0.361 1.00 0.00 WT2 O ATOM 32771 H1 TIP3 6155 6.970 1.237 -17.071 1.00 0.00 WT2 H ATOM 32772 H2 TIP3 6155 -10.040 -8.213 -1.250 1.00 0.00 WT2 H ATOM 32773 OH2 TIP3 6158 -1.842 8.290 -0.917 1.00 0.00 WT2 O ATOM 32774 H1 TIP3 6158 -1.677 9.739 -5.010 1.00 0.00 WT2 H ATOM 32775 H2 TIP3 6158 -2.654 -6.117 15.950 1.00 0.00 WT2 H ATOM 32776 OH2 TIP3 6159 1.691 3.528 4.185 1.00 0.00 WT2 O ATOM 32777 H1 TIP3 6159 -5.465 26.216 -8.103 1.00 0.00 WT2 H ATOM 32778 H2 TIP3 6159 2.034 8.534 -10.217 1.00 0.00 WT2 H ATOM 32779 OH2 TIP3 6160 -0.731 0.831 1.301 1.00 0.00 WT2 O ATOM 32780 H1 TIP3 6160 -21.487 6.162 -1.960 1.00 0.00 WT2 H ATOM 32781 H2 TIP3 6160 23.181 -29.676 -22.358 1.00 0.00 WT2 H ATOM 32782 OH2 TIP3 6162 -1.128 4.048 -0.328 1.00 0.00 WT2 O ATOM 32783 H1 TIP3 6162 1.988 8.226 12.011 1.00 0.00 WT2 H ATOM 32784 H2 TIP3 6162 2.549 27.778 12.847 1.00 0.00 WT2 H ATOM 32785 OH2 TIP3 6176 -3.932 1.737 -3.748 1.00 0.00 WT2 O ATOM 32786 H1 TIP3 6176 -1.771 -2.784 -15.839 1.00 0.00 WT2 H ATOM 32787 H2 TIP3 6176 -4.465 19.681 16.637 1.00 0.00 WT2 H ATOM 32788 OH2 TIP3 6177 -0.570 -2.259 2.778 1.00 0.00 WT2 O ATOM 32789 H1 TIP3 6177 2.693 -6.338 4.728 1.00 0.00 WT2 H ATOM 32790 H2 TIP3 6177 1.165 -18.228 -6.614 1.00 0.00 WT2 H ATOM 32791 OH2 TIP3 6178 0.347 -4.851 -0.234 1.00 0.00 WT2 O ATOM 32792 H1 TIP3 6178 -3.036 5.571 1.955 1.00 0.00 WT2 H ATOM 32793 H2 TIP3 6178 -14.696 -13.254 7.212 1.00 0.00 WT2 H ATOM 32794 OH2 TIP3 6181 0.198 3.544 0.711 1.00 0.00 WT2 O ATOM 32795 H1 TIP3 6181 -6.762 9.203 -19.147 1.00 0.00 WT2 H ATOM 32796 H2 TIP3 6181 -23.939 10.407 18.204 1.00 0.00 WT2 H ATOM 32797 OH2 TIP3 6182 4.089 -0.922 -4.205 1.00 0.00 WT2 O ATOM 32798 H1 TIP3 6182 -0.058 2.401 -8.397 1.00 0.00 WT2 H ATOM 32799 H2 TIP3 6182 10.319 3.486 -2.356 1.00 0.00 WT2 H ATOM 32800 OH2 TIP3 6183 -0.966 -4.205 3.532 1.00 0.00 WT2 O ATOM 32801 H1 TIP3 6183 8.091 14.177 2.489 1.00 0.00 WT2 H ATOM 32802 H2 TIP3 6183 -11.771 8.422 -8.044 1.00 0.00 WT2 H ATOM 32803 OH2 TIP3 6190 -0.012 3.857 5.448 1.00 0.00 WT2 O ATOM 32804 H1 TIP3 6190 -4.688 5.785 18.387 1.00 0.00 WT2 H ATOM 32805 H2 TIP3 6190 -2.517 10.843 15.162 1.00 0.00 WT2 H ATOM 32806 OH2 TIP3 6195 -0.718 -0.240 8.722 1.00 0.00 WT2 O ATOM 32807 H1 TIP3 6195 -0.554 -7.929 17.106 1.00 0.00 WT2 H ATOM 32808 H2 TIP3 6195 11.773 -1.476 0.881 1.00 0.00 WT2 H ATOM 32809 OH2 TIP3 6197 -6.049 1.646 4.491 1.00 0.00 WT2 O ATOM 32810 H1 TIP3 6197 9.738 -17.463 17.537 1.00 0.00 WT2 H ATOM 32811 H2 TIP3 6197 -2.664 -3.632 15.009 1.00 0.00 WT2 H ATOM 32812 OH2 TIP3 6198 1.848 -9.692 -1.883 1.00 0.00 WT2 O ATOM 32813 H1 TIP3 6198 16.526 16.332 -0.585 1.00 0.00 WT2 H ATOM 32814 H2 TIP3 6198 -36.562 12.231 -16.548 1.00 0.00 WT2 H ATOM 32815 OH2 TIP3 6200 0.490 0.316 3.748 1.00 0.00 WT2 O ATOM 32816 H1 TIP3 6200 22.204 12.710 11.754 1.00 0.00 WT2 H ATOM 32817 H2 TIP3 6200 -4.770 -3.607 18.130 1.00 0.00 WT2 H ATOM 32818 OH2 TIP3 6201 -1.057 8.651 -4.350 1.00 0.00 WT2 O ATOM 32819 H1 TIP3 6201 -0.928 15.454 0.556 1.00 0.00 WT2 H ATOM 32820 H2 TIP3 6201 0.624 -4.359 -17.286 1.00 0.00 WT2 H ATOM 32821 OH2 TIP3 6215 -4.550 -0.539 4.291 1.00 0.00 WT2 O ATOM 32822 H1 TIP3 6215 1.461 -1.814 11.332 1.00 0.00 WT2 H ATOM 32823 H2 TIP3 6215 -1.193 -1.330 -4.127 1.00 0.00 WT2 H ATOM 32824 OH2 TIP3 6216 0.513 -1.801 -5.058 1.00 0.00 WT2 O ATOM 32825 H1 TIP3 6216 -4.655 -6.381 -0.269 1.00 0.00 WT2 H ATOM 32826 H2 TIP3 6216 2.516 -18.390 12.704 1.00 0.00 WT2 H ATOM 32827 OH2 TIP3 6218 -2.345 5.753 0.801 1.00 0.00 WT2 O ATOM 32828 H1 TIP3 6218 -2.438 8.656 -2.100 1.00 0.00 WT2 H ATOM 32829 H2 TIP3 6218 -1.770 14.623 5.082 1.00 0.00 WT2 H ATOM 32830 OH2 TIP3 6219 -4.192 -2.316 -2.038 1.00 0.00 WT2 O ATOM 32831 H1 TIP3 6219 7.698 -16.189 -9.099 1.00 0.00 WT2 H ATOM 32832 H2 TIP3 6219 22.588 -2.523 20.569 1.00 0.00 WT2 H ATOM 32833 OH2 TIP3 6220 -0.965 -3.568 -1.499 1.00 0.00 WT2 O ATOM 32834 H1 TIP3 6220 4.838 -23.142 -1.761 1.00 0.00 WT2 H ATOM 32835 H2 TIP3 6220 -1.848 -0.588 -0.802 1.00 0.00 WT2 H ATOM 32836 OH2 TIP3 6221 -4.767 -6.510 0.134 1.00 0.00 WT2 O ATOM 32837 H1 TIP3 6221 -2.246 -3.399 8.023 1.00 0.00 WT2 H ATOM 32838 H2 TIP3 6221 -0.383 -8.924 5.213 1.00 0.00 WT2 H ATOM 32839 OH2 TIP3 6225 -2.032 -5.506 6.653 1.00 0.00 WT2 O ATOM 32840 H1 TIP3 6225 -4.982 -0.547 16.523 1.00 0.00 WT2 H ATOM 32841 H2 TIP3 6225 -3.567 1.139 2.459 1.00 0.00 WT2 H ATOM 32842 OH2 TIP3 6238 -2.062 -1.751 0.882 1.00 0.00 WT2 O ATOM 32843 H1 TIP3 6238 -35.171 -2.792 -4.786 1.00 0.00 WT2 H ATOM 32844 H2 TIP3 6238 23.963 21.351 20.481 1.00 0.00 WT2 H ATOM 32845 OH2 TIP3 6240 4.708 8.305 3.617 1.00 0.00 WT2 O ATOM 32846 H1 TIP3 6240 -19.193 -3.508 -19.116 1.00 0.00 WT2 H ATOM 32847 H2 TIP3 6240 13.609 6.942 -10.635 1.00 0.00 WT2 H ATOM 32848 OH2 TIP3 6241 -2.836 4.104 2.178 1.00 0.00 WT2 O ATOM 32849 H1 TIP3 6241 23.814 1.057 6.719 1.00 0.00 WT2 H ATOM 32850 H2 TIP3 6241 5.026 6.243 5.831 1.00 0.00 WT2 H ATOM 32851 OH2 TIP3 6242 3.896 -3.534 6.028 1.00 0.00 WT2 O ATOM 32852 H1 TIP3 6242 -2.129 -0.121 1.050 1.00 0.00 WT2 H ATOM 32853 H2 TIP3 6242 -3.903 0.929 1.121 1.00 0.00 WT2 H ATOM 32854 OH2 TIP3 6243 -3.651 -7.002 2.481 1.00 0.00 WT2 O ATOM 32855 H1 TIP3 6243 -3.169 -9.394 4.828 1.00 0.00 WT2 H ATOM 32856 H2 TIP3 6243 18.872 -15.941 -1.371 1.00 0.00 WT2 H ATOM 32857 OH2 TIP3 6245 -0.045 3.218 2.129 1.00 0.00 WT2 O ATOM 32858 H1 TIP3 6245 -20.454 -3.011 -12.809 1.00 0.00 WT2 H ATOM 32859 H2 TIP3 6245 -14.901 -4.049 -7.174 1.00 0.00 WT2 H ATOM 32860 OH2 TIP3 6246 -0.082 1.621 9.048 1.00 0.00 WT2 O ATOM 32861 H1 TIP3 6246 -30.037 -13.597 8.784 1.00 0.00 WT2 H ATOM 32862 H2 TIP3 6246 -13.905 -6.269 7.717 1.00 0.00 WT2 H ATOM 32863 OH2 TIP3 6256 -1.752 5.492 3.680 1.00 0.00 WT2 O ATOM 32864 H1 TIP3 6256 10.469 3.332 -4.921 1.00 0.00 WT2 H ATOM 32865 H2 TIP3 6256 -0.240 -5.737 15.176 1.00 0.00 WT2 H ATOM 32866 OH2 TIP3 6258 1.734 -3.503 3.401 1.00 0.00 WT2 O ATOM 32867 H1 TIP3 6258 1.852 -7.232 9.193 1.00 0.00 WT2 H ATOM 32868 H2 TIP3 6258 25.666 -22.371 -5.191 1.00 0.00 WT2 H ATOM 32869 OH2 TIP3 6259 8.746 4.448 -0.095 1.00 0.00 WT2 O ATOM 32870 H1 TIP3 6259 -5.327 26.305 -3.726 1.00 0.00 WT2 H ATOM 32871 H2 TIP3 6259 13.280 -14.523 15.483 1.00 0.00 WT2 H ATOM 32872 OH2 TIP3 6261 -3.156 -6.665 2.182 1.00 0.00 WT2 O ATOM 32873 H1 TIP3 6261 33.680 20.900 -27.235 1.00 0.00 WT2 H ATOM 32874 H2 TIP3 6261 5.383 2.913 0.392 1.00 0.00 WT2 H ATOM 32875 OH2 TIP3 6263 0.163 1.016 -3.431 1.00 0.00 WT2 O ATOM 32876 H1 TIP3 6263 -6.507 15.778 2.306 1.00 0.00 WT2 H ATOM 32877 H2 TIP3 6263 -3.263 7.911 0.158 1.00 0.00 WT2 H ATOM 32878 OH2 TIP3 6264 -2.472 -3.941 1.025 1.00 0.00 WT2 O ATOM 32879 H1 TIP3 6264 -4.384 -1.753 0.422 1.00 0.00 WT2 H ATOM 32880 H2 TIP3 6264 9.529 -14.791 9.480 1.00 0.00 WT2 H ATOM 32881 OH2 TIP3 6269 1.019 -0.712 8.217 1.00 0.00 WT2 O ATOM 32882 H1 TIP3 6269 -38.616 3.793 -0.892 1.00 0.00 WT2 H ATOM 32883 H2 TIP3 6269 4.307 -0.726 -47.944 1.00 0.00 WT2 H ATOM 32884 OH2 TIP3 6281 -0.157 -3.926 2.052 1.00 0.00 WT2 O ATOM 32885 H1 TIP3 6281 -1.104 -8.618 12.196 1.00 0.00 WT2 H ATOM 32886 H2 TIP3 6281 22.481 -18.882 38.366 1.00 0.00 WT2 H ATOM 32887 OH2 TIP3 6283 -1.771 -0.662 0.081 1.00 0.00 WT2 O ATOM 32888 H1 TIP3 6283 -2.737 4.038 13.378 1.00 0.00 WT2 H ATOM 32889 H2 TIP3 6283 0.449 27.109 -37.543 1.00 0.00 WT2 H ATOM 32890 OH2 TIP3 6284 -1.642 -0.102 -8.180 1.00 0.00 WT2 O ATOM 32891 H1 TIP3 6284 -11.023 12.798 -17.099 1.00 0.00 WT2 H ATOM 32892 H2 TIP3 6284 -8.268 1.256 -13.388 1.00 0.00 WT2 H ATOM 32893 OH2 TIP3 6285 6.022 -1.446 1.989 1.00 0.00 WT2 O ATOM 32894 H1 TIP3 6285 -2.409 -15.221 2.992 1.00 0.00 WT2 H ATOM 32895 H2 TIP3 6285 13.164 -2.323 -10.130 1.00 0.00 WT2 H ATOM 32896 OH2 TIP3 6286 5.251 3.470 -2.018 1.00 0.00 WT2 O ATOM 32897 H1 TIP3 6286 13.814 12.009 -4.644 1.00 0.00 WT2 H ATOM 32898 H2 TIP3 6286 -15.479 2.186 -4.578 1.00 0.00 WT2 H ATOM 32899 OH2 TIP3 6288 6.179 -1.078 -0.777 1.00 0.00 WT2 O ATOM 32900 H1 TIP3 6288 12.831 5.085 10.473 1.00 0.00 WT2 H ATOM 32901 H2 TIP3 6288 -0.388 12.447 -13.935 1.00 0.00 WT2 H ATOM 32902 OH2 TIP3 6297 -1.661 -2.308 -2.867 1.00 0.00 WT2 O ATOM 32903 H1 TIP3 6297 25.857 0.850 -31.883 1.00 0.00 WT2 H ATOM 32904 H2 TIP3 6297 -2.083 -5.590 -2.115 1.00 0.00 WT2 H ATOM 32905 OH2 TIP3 6300 -8.159 -3.035 -3.369 1.00 0.00 WT2 O ATOM 32906 H1 TIP3 6300 9.668 4.221 2.314 1.00 0.00 WT2 H ATOM 32907 H2 TIP3 6300 -10.082 -4.786 -1.891 1.00 0.00 WT2 H ATOM 32908 OH2 TIP3 6302 4.984 1.876 2.849 1.00 0.00 WT2 O ATOM 32909 H1 TIP3 6302 -8.821 -16.424 -12.922 1.00 0.00 WT2 H ATOM 32910 H2 TIP3 6302 4.687 4.153 1.636 1.00 0.00 WT2 H ATOM 32911 OH2 TIP3 6303 8.211 4.871 -4.082 1.00 0.00 WT2 O ATOM 32912 H1 TIP3 6303 2.629 8.021 -1.085 1.00 0.00 WT2 H ATOM 32913 H2 TIP3 6303 14.702 7.628 -2.917 1.00 0.00 WT2 H ATOM 32914 OH2 TIP3 6305 -4.422 2.107 9.171 1.00 0.00 WT2 O ATOM 32915 H1 TIP3 6305 -3.356 -4.243 -11.674 1.00 0.00 WT2 H ATOM 32916 H2 TIP3 6305 -3.518 -10.421 -0.318 1.00 0.00 WT2 H ATOM 32917 OH2 TIP3 6309 3.577 0.001 -0.788 1.00 0.00 WT2 O ATOM 32918 H1 TIP3 6309 -6.079 13.515 -5.538 1.00 0.00 WT2 H ATOM 32919 H2 TIP3 6309 -7.503 -2.704 18.075 1.00 0.00 WT2 H ATOM 32920 OH2 TIP3 6311 -2.992 2.615 -4.376 1.00 0.00 WT2 O ATOM 32921 H1 TIP3 6311 10.234 16.959 11.404 1.00 0.00 WT2 H ATOM 32922 H2 TIP3 6311 7.397 8.954 4.911 1.00 0.00 WT2 H ATOM 32923 OH2 TIP3 6319 -7.271 3.669 6.222 1.00 0.00 WT2 O ATOM 32924 H1 TIP3 6319 -0.187 13.411 13.388 1.00 0.00 WT2 H ATOM 32925 H2 TIP3 6319 30.076 -3.946 4.061 1.00 0.00 WT2 H ATOM 32926 OH2 TIP3 6321 6.051 3.556 6.604 1.00 0.00 WT2 O ATOM 32927 H1 TIP3 6321 3.537 -0.896 10.141 1.00 0.00 WT2 H ATOM 32928 H2 TIP3 6321 6.449 2.279 7.314 1.00 0.00 WT2 H ATOM 32929 OH2 TIP3 6322 -2.813 -5.467 -5.407 1.00 0.00 WT2 O ATOM 32930 H1 TIP3 6322 5.248 -10.806 -4.416 1.00 0.00 WT2 H ATOM 32931 H2 TIP3 6322 -12.795 -8.647 4.042 1.00 0.00 WT2 H ATOM 32932 OH2 TIP3 6323 -2.063 7.274 -2.129 1.00 0.00 WT2 O ATOM 32933 H1 TIP3 6323 -12.190 15.260 9.372 1.00 0.00 WT2 H ATOM 32934 H2 TIP3 6323 20.621 -5.819 -4.859 1.00 0.00 WT2 H ATOM 32935 OH2 TIP3 6324 -0.630 2.950 0.952 1.00 0.00 WT2 O ATOM 32936 H1 TIP3 6324 -0.764 5.496 23.749 1.00 0.00 WT2 H ATOM 32937 H2 TIP3 6324 6.604 -2.091 1.131 1.00 0.00 WT2 H ATOM 32938 OH2 TIP3 6325 -1.561 -1.363 -2.469 1.00 0.00 WT2 O ATOM 32939 H1 TIP3 6325 -14.638 4.090 4.443 1.00 0.00 WT2 H ATOM 32940 H2 TIP3 6325 -2.308 -15.080 -16.270 1.00 0.00 WT2 H ATOM 32941 OH2 TIP3 6326 -1.428 -0.178 -1.012 1.00 0.00 WT2 O ATOM 32942 H1 TIP3 6326 -0.814 -19.369 4.113 1.00 0.00 WT2 H ATOM 32943 H2 TIP3 6326 12.798 5.725 -3.986 1.00 0.00 WT2 H ATOM 32944 OH2 TIP3 6328 -2.655 5.632 4.161 1.00 0.00 WT2 O ATOM 32945 H1 TIP3 6328 2.456 7.228 -9.171 1.00 0.00 WT2 H ATOM 32946 H2 TIP3 6328 -4.879 12.403 -7.270 1.00 0.00 WT2 H ATOM 32947 OH2 TIP3 6329 4.475 -6.396 -2.289 1.00 0.00 WT2 O ATOM 32948 H1 TIP3 6329 8.449 -4.849 11.589 1.00 0.00 WT2 H ATOM 32949 H2 TIP3 6329 5.144 -10.724 -11.737 1.00 0.00 WT2 H ATOM 32950 OH2 TIP3 6341 -1.224 6.640 -10.364 1.00 0.00 WT2 O ATOM 32951 H1 TIP3 6341 2.448 7.938 5.756 1.00 0.00 WT2 H ATOM 32952 H2 TIP3 6341 11.391 7.222 -2.830 1.00 0.00 WT2 H ATOM 32953 OH2 TIP3 6345 -4.025 1.244 -2.206 1.00 0.00 WT2 O ATOM 32954 H1 TIP3 6345 4.047 16.933 12.447 1.00 0.00 WT2 H ATOM 32955 H2 TIP3 6345 -11.384 -12.105 -13.783 1.00 0.00 WT2 H ATOM 32956 OH2 TIP3 6347 0.999 0.780 0.966 1.00 0.00 WT2 O ATOM 32957 H1 TIP3 6347 12.123 -6.815 -2.480 1.00 0.00 WT2 H ATOM 32958 H2 TIP3 6347 2.873 -9.923 8.996 1.00 0.00 WT2 H ATOM 32959 OH2 TIP3 6348 4.013 -8.809 -5.805 1.00 0.00 WT2 O ATOM 32960 H1 TIP3 6348 -11.758 -23.914 7.836 1.00 0.00 WT2 H ATOM 32961 H2 TIP3 6348 12.069 4.433 -13.022 1.00 0.00 WT2 H ATOM 32962 OH2 TIP3 6353 5.170 -1.652 4.391 1.00 0.00 WT2 O ATOM 32963 H1 TIP3 6353 14.977 -17.042 -21.549 1.00 0.00 WT2 H ATOM 32964 H2 TIP3 6353 -11.686 -14.861 20.906 1.00 0.00 WT2 H ATOM 32965 OH2 TIP3 6357 -1.054 6.181 -0.900 1.00 0.00 WT2 O ATOM 32966 H1 TIP3 6357 -17.009 -7.103 18.267 1.00 0.00 WT2 H ATOM 32967 H2 TIP3 6357 -15.676 0.464 11.275 1.00 0.00 WT2 H ATOM 32968 OH2 TIP3 6364 1.274 -2.217 6.965 1.00 0.00 WT2 O ATOM 32969 H1 TIP3 6364 10.137 22.343 4.343 1.00 0.00 WT2 H ATOM 32970 H2 TIP3 6364 24.224 -17.225 5.882 1.00 0.00 WT2 H ATOM 32971 OH2 TIP3 6366 -0.957 -2.295 0.862 1.00 0.00 WT2 O ATOM 32972 H1 TIP3 6366 10.568 -6.122 7.150 1.00 0.00 WT2 H ATOM 32973 H2 TIP3 6366 0.628 -16.282 -6.536 1.00 0.00 WT2 H ATOM 32974 OH2 TIP3 6368 -3.799 -1.586 1.090 1.00 0.00 WT2 O ATOM 32975 H1 TIP3 6368 -2.576 -10.743 0.643 1.00 0.00 WT2 H ATOM 32976 H2 TIP3 6368 -1.668 -3.092 -6.793 1.00 0.00 WT2 H ATOM 32977 OH2 TIP3 6369 3.885 -2.273 1.908 1.00 0.00 WT2 O ATOM 32978 H1 TIP3 6369 -7.002 -6.648 -1.387 1.00 0.00 WT2 H ATOM 32979 H2 TIP3 6369 7.942 1.384 0.281 1.00 0.00 WT2 H ATOM 32980 OH2 TIP3 6381 3.842 0.671 -2.188 1.00 0.00 WT2 O ATOM 32981 H1 TIP3 6381 -16.635 -14.870 1.884 1.00 0.00 WT2 H ATOM 32982 H2 TIP3 6381 13.900 -3.298 -11.061 1.00 0.00 WT2 H ATOM 32983 OH2 TIP3 6385 7.104 0.229 2.636 1.00 0.00 WT2 O ATOM 32984 H1 TIP3 6385 6.549 6.111 6.892 1.00 0.00 WT2 H ATOM 32985 H2 TIP3 6385 3.165 -4.022 -14.121 1.00 0.00 WT2 H ATOM 32986 OH2 TIP3 6388 -5.828 -8.484 2.619 1.00 0.00 WT2 O ATOM 32987 H1 TIP3 6388 -3.700 -2.642 4.302 1.00 0.00 WT2 H ATOM 32988 H2 TIP3 6388 -1.082 -12.186 2.651 1.00 0.00 WT2 H ATOM 32989 OH2 TIP3 6389 1.510 -0.097 1.402 1.00 0.00 WT2 O ATOM 32990 H1 TIP3 6389 -1.874 1.247 -1.044 1.00 0.00 WT2 H ATOM 32991 H2 TIP3 6389 6.590 -3.150 10.895 1.00 0.00 WT2 H ATOM 32992 OH2 TIP3 6390 -0.588 1.130 5.422 1.00 0.00 WT2 O ATOM 32993 H1 TIP3 6390 1.528 23.929 -14.594 1.00 0.00 WT2 H ATOM 32994 H2 TIP3 6390 12.744 -19.335 -6.250 1.00 0.00 WT2 H ATOM 32995 OH2 TIP3 6403 -4.649 -4.157 2.901 1.00 0.00 WT2 O ATOM 32996 H1 TIP3 6403 -5.420 -9.506 10.572 1.00 0.00 WT2 H ATOM 32997 H2 TIP3 6403 -4.122 -18.165 -7.761 1.00 0.00 WT2 H ATOM 32998 OH2 TIP3 6404 2.159 -4.818 -0.494 1.00 0.00 WT2 O ATOM 32999 H1 TIP3 6404 -1.056 2.889 0.869 1.00 0.00 WT2 H ATOM 33000 H2 TIP3 6404 7.960 -20.867 -4.044 1.00 0.00 WT2 H ATOM 33001 OH2 TIP3 6407 -0.082 1.711 1.809 1.00 0.00 WT2 O ATOM 33002 H1 TIP3 6407 5.078 16.434 -6.481 1.00 0.00 WT2 H ATOM 33003 H2 TIP3 6407 3.494 -2.304 -10.440 1.00 0.00 WT2 H ATOM 33004 OH2 TIP3 6408 -3.305 2.682 4.973 1.00 0.00 WT2 O ATOM 33005 H1 TIP3 6408 3.626 11.261 8.918 1.00 0.00 WT2 H ATOM 33006 H2 TIP3 6408 6.616 -0.110 5.288 1.00 0.00 WT2 H ATOM 33007 OH2 TIP3 6409 -2.546 -1.261 -2.926 1.00 0.00 WT2 O ATOM 33008 H1 TIP3 6409 11.872 -0.919 2.088 1.00 0.00 WT2 H ATOM 33009 H2 TIP3 6409 12.665 -4.768 -7.492 1.00 0.00 WT2 H ATOM 33010 OH2 TIP3 6410 3.417 0.459 -4.830 1.00 0.00 WT2 O ATOM 33011 H1 TIP3 6410 -3.325 -13.991 17.553 1.00 0.00 WT2 H ATOM 33012 H2 TIP3 6410 1.334 -1.679 0.001 1.00 0.00 WT2 H ATOM 33013 OH2 TIP3 6412 -0.679 0.205 -0.737 1.00 0.00 WT2 O ATOM 33014 H1 TIP3 6412 24.140 -16.432 -13.263 1.00 0.00 WT2 H ATOM 33015 H2 TIP3 6412 0.014 2.270 9.031 1.00 0.00 WT2 H ATOM 33016 OH2 TIP3 6413 0.349 -0.411 -2.416 1.00 0.00 WT2 O ATOM 33017 H1 TIP3 6413 -4.880 1.926 -3.484 1.00 0.00 WT2 H ATOM 33018 H2 TIP3 6413 5.141 -1.891 -1.725 1.00 0.00 WT2 H ATOM 33019 OH2 TIP3 6417 -0.302 3.900 1.462 1.00 0.00 WT2 O ATOM 33020 H1 TIP3 6417 -5.553 1.892 -1.170 1.00 0.00 WT2 H ATOM 33021 H2 TIP3 6417 15.299 7.569 9.145 1.00 0.00 WT2 H ATOM 33022 OH2 TIP3 6425 -2.752 -6.723 -2.994 1.00 0.00 WT2 O ATOM 33023 H1 TIP3 6425 17.436 10.596 9.054 1.00 0.00 WT2 H ATOM 33024 H2 TIP3 6425 -42.799 -4.725 15.363 1.00 0.00 WT2 H ATOM 33025 OH2 TIP3 6428 2.881 -1.622 4.643 1.00 0.00 WT2 O ATOM 33026 H1 TIP3 6428 3.462 6.105 -5.283 1.00 0.00 WT2 H ATOM 33027 H2 TIP3 6428 -7.885 -13.450 19.990 1.00 0.00 WT2 H ATOM 33028 OH2 TIP3 6429 4.959 -0.930 -2.005 1.00 0.00 WT2 O ATOM 33029 H1 TIP3 6429 -9.696 8.722 -7.796 1.00 0.00 WT2 H ATOM 33030 H2 TIP3 6429 9.193 16.052 -12.185 1.00 0.00 WT2 H ATOM 33031 OH2 TIP3 6430 4.271 -3.579 3.489 1.00 0.00 WT2 O ATOM 33032 H1 TIP3 6430 -8.037 -3.529 4.908 1.00 0.00 WT2 H ATOM 33033 H2 TIP3 6430 -1.327 -5.483 5.357 1.00 0.00 WT2 H ATOM 33034 OH2 TIP3 6431 1.999 -4.161 -7.986 1.00 0.00 WT2 O ATOM 33035 H1 TIP3 6431 6.414 -5.053 -14.315 1.00 0.00 WT2 H ATOM 33036 H2 TIP3 6431 -1.751 1.905 -1.880 1.00 0.00 WT2 H ATOM 33037 OH2 TIP3 6433 -0.338 2.493 -4.413 1.00 0.00 WT2 O ATOM 33038 H1 TIP3 6433 7.121 -6.502 -11.071 1.00 0.00 WT2 H ATOM 33039 H2 TIP3 6433 -2.510 23.012 8.446 1.00 0.00 WT2 H ATOM 33040 OH2 TIP3 6436 0.751 0.698 -1.886 1.00 0.00 WT2 O ATOM 33041 H1 TIP3 6436 -1.660 1.247 -3.758 1.00 0.00 WT2 H ATOM 33042 H2 TIP3 6436 2.865 1.699 1.989 1.00 0.00 WT2 H ATOM 33043 OH2 TIP3 6444 5.345 2.620 0.176 1.00 0.00 WT2 O ATOM 33044 H1 TIP3 6444 34.382 -7.522 4.064 1.00 0.00 WT2 H ATOM 33045 H2 TIP3 6444 -17.863 36.724 3.671 1.00 0.00 WT2 H ATOM 33046 OH2 TIP3 6446 -2.262 5.610 2.240 1.00 0.00 WT2 O ATOM 33047 H1 TIP3 6446 -16.223 23.755 6.555 1.00 0.00 WT2 H ATOM 33048 H2 TIP3 6446 5.068 -8.187 11.770 1.00 0.00 WT2 H ATOM 33049 OH2 TIP3 6450 -5.554 7.253 -0.584 1.00 0.00 WT2 O ATOM 33050 H1 TIP3 6450 -1.941 -5.246 -2.595 1.00 0.00 WT2 H ATOM 33051 H2 TIP3 6450 2.117 10.162 -2.291 1.00 0.00 WT2 H ATOM 33052 OH2 TIP3 6452 11.025 -4.256 -4.594 1.00 0.00 WT2 O ATOM 33053 H1 TIP3 6452 12.800 -1.177 4.899 1.00 0.00 WT2 H ATOM 33054 H2 TIP3 6452 10.223 -3.797 -9.734 1.00 0.00 WT2 H ATOM 33055 OH2 TIP3 6454 -5.682 -2.987 -2.996 1.00 0.00 WT2 O ATOM 33056 H1 TIP3 6454 15.898 -6.054 -5.745 1.00 0.00 WT2 H ATOM 33057 H2 TIP3 6454 -6.282 15.938 6.390 1.00 0.00 WT2 H ATOM 33058 OH2 TIP3 6455 10.014 0.410 -1.621 1.00 0.00 WT2 O ATOM 33059 H1 TIP3 6455 14.785 2.184 -0.432 1.00 0.00 WT2 H ATOM 33060 H2 TIP3 6455 -20.559 1.317 -2.887 1.00 0.00 WT2 H ATOM 33061 OH2 TIP3 6469 2.259 -1.852 -4.901 1.00 0.00 WT2 O ATOM 33062 H1 TIP3 6469 14.266 -2.039 -6.606 1.00 0.00 WT2 H ATOM 33063 H2 TIP3 6469 -2.546 -4.205 9.693 1.00 0.00 WT2 H ATOM 33064 OH2 TIP3 6470 -0.095 -5.390 1.592 1.00 0.00 WT2 O ATOM 33065 H1 TIP3 6470 -2.742 -21.595 -10.921 1.00 0.00 WT2 H ATOM 33066 H2 TIP3 6470 7.058 6.075 -7.687 1.00 0.00 WT2 H ATOM 33067 OH2 TIP3 6471 8.865 -7.955 -0.919 1.00 0.00 WT2 O ATOM 33068 H1 TIP3 6471 12.319 0.514 8.107 1.00 0.00 WT2 H ATOM 33069 H2 TIP3 6471 0.724 -9.698 -8.119 1.00 0.00 WT2 H ATOM 33070 OH2 TIP3 6472 4.297 2.832 0.723 1.00 0.00 WT2 O ATOM 33071 H1 TIP3 6472 -1.599 -3.022 1.943 1.00 0.00 WT2 H ATOM 33072 H2 TIP3 6472 -25.647 -18.343 9.123 1.00 0.00 WT2 H ATOM 33073 OH2 TIP3 6473 -4.551 1.875 -1.233 1.00 0.00 WT2 O ATOM 33074 H1 TIP3 6473 12.273 13.069 -24.906 1.00 0.00 WT2 H ATOM 33075 H2 TIP3 6473 -12.423 8.100 16.199 1.00 0.00 WT2 H ATOM 33076 OH2 TIP3 6474 6.710 2.552 -1.544 1.00 0.00 WT2 O ATOM 33077 H1 TIP3 6474 8.246 -6.136 26.019 1.00 0.00 WT2 H ATOM 33078 H2 TIP3 6474 -20.666 -6.995 -1.561 1.00 0.00 WT2 H ATOM 33079 OH2 TIP3 6475 -1.207 0.818 -6.696 1.00 0.00 WT2 O ATOM 33080 H1 TIP3 6475 -14.666 -3.897 -22.639 1.00 0.00 WT2 H ATOM 33081 H2 TIP3 6475 -17.285 -4.261 -24.213 1.00 0.00 WT2 H ATOM 33082 OH2 TIP3 6476 3.101 7.924 5.302 1.00 0.00 WT2 O ATOM 33083 H1 TIP3 6476 1.364 5.073 1.112 1.00 0.00 WT2 H ATOM 33084 H2 TIP3 6476 9.585 11.607 7.647 1.00 0.00 WT2 H ATOM 33085 OH2 TIP3 6490 -4.129 -1.239 1.111 1.00 0.00 WT2 O ATOM 33086 H1 TIP3 6490 -11.923 -3.907 2.863 1.00 0.00 WT2 H ATOM 33087 H2 TIP3 6490 3.109 4.151 0.778 1.00 0.00 WT2 H ATOM 33088 OH2 TIP3 6491 -1.959 -1.905 -2.725 1.00 0.00 WT2 O ATOM 33089 H1 TIP3 6491 2.035 -2.085 -2.294 1.00 0.00 WT2 H ATOM 33090 H2 TIP3 6491 -6.038 -0.952 -2.918 1.00 0.00 WT2 H ATOM 33091 OH2 TIP3 6492 4.152 6.587 -1.863 1.00 0.00 WT2 O ATOM 33092 H1 TIP3 6492 21.312 21.822 14.412 1.00 0.00 WT2 H ATOM 33093 H2 TIP3 6492 -3.576 25.562 -18.642 1.00 0.00 WT2 H ATOM 33094 OH2 TIP3 6493 -6.890 -1.325 -7.825 1.00 0.00 WT2 O ATOM 33095 H1 TIP3 6493 -12.115 -9.078 10.689 1.00 0.00 WT2 H ATOM 33096 H2 TIP3 6493 -5.374 1.254 -15.847 1.00 0.00 WT2 H ATOM 33097 OH2 TIP3 6497 -2.303 -2.596 1.258 1.00 0.00 WT2 O ATOM 33098 H1 TIP3 6497 -16.682 -6.196 1.726 1.00 0.00 WT2 H ATOM 33099 H2 TIP3 6497 -6.920 -15.515 -9.464 1.00 0.00 WT2 H ATOM 33100 OH2 TIP3 6499 -2.349 3.981 -5.451 1.00 0.00 WT2 O ATOM 33101 H1 TIP3 6499 -16.296 0.409 22.797 1.00 0.00 WT2 H ATOM 33102 H2 TIP3 6499 18.156 21.791 -18.210 1.00 0.00 WT2 H ATOM 33103 OH2 TIP3 6509 1.753 -3.733 -2.112 1.00 0.00 WT2 O ATOM 33104 H1 TIP3 6509 -0.660 -14.579 -3.086 1.00 0.00 WT2 H ATOM 33105 H2 TIP3 6509 1.703 -1.832 -2.038 1.00 0.00 WT2 H ATOM 33106 OH2 TIP3 6512 -9.531 15.325 3.504 1.00 0.00 WT2 O ATOM 33107 H1 TIP3 6512 -9.612 1.809 11.966 1.00 0.00 WT2 H ATOM 33108 H2 TIP3 6512 -21.013 -5.220 -1.045 1.00 0.00 WT2 H ATOM 33109 OH2 TIP3 6513 -3.413 13.450 -1.790 1.00 0.00 WT2 O ATOM 33110 H1 TIP3 6513 -13.093 0.357 1.836 1.00 0.00 WT2 H ATOM 33111 H2 TIP3 6513 8.464 7.456 -51.940 1.00 0.00 WT2 H ATOM 33112 OH2 TIP3 6514 2.696 5.048 1.399 1.00 0.00 WT2 O ATOM 33113 H1 TIP3 6514 11.734 -1.379 11.059 1.00 0.00 WT2 H ATOM 33114 H2 TIP3 6514 -4.461 13.923 -6.438 1.00 0.00 WT2 H ATOM 33115 OH2 TIP3 6515 6.781 -3.539 5.943 1.00 0.00 WT2 O ATOM 33116 H1 TIP3 6515 4.129 -8.073 -10.006 1.00 0.00 WT2 H ATOM 33117 H2 TIP3 6515 -4.015 15.388 -5.899 1.00 0.00 WT2 H ATOM 33118 OH2 TIP3 6516 -0.827 -10.607 -4.816 1.00 0.00 WT2 O ATOM 33119 H1 TIP3 6516 -8.711 26.783 2.069 1.00 0.00 WT2 H ATOM 33120 H2 TIP3 6516 -10.125 -5.035 -10.667 1.00 0.00 WT2 H ATOM 33121 OH2 TIP3 6519 1.408 1.404 1.847 1.00 0.00 WT2 O ATOM 33122 H1 TIP3 6519 14.520 -27.204 -18.559 1.00 0.00 WT2 H ATOM 33123 H2 TIP3 6519 6.256 16.893 -18.864 1.00 0.00 WT2 H ATOM 33124 OH2 TIP3 6528 -0.442 -2.282 2.256 1.00 0.00 WT2 O ATOM 33125 H1 TIP3 6528 -3.832 -8.838 4.298 1.00 0.00 WT2 H ATOM 33126 H2 TIP3 6528 3.487 -3.623 2.592 1.00 0.00 WT2 H ATOM 33127 OH2 TIP3 6534 0.502 -3.457 2.824 1.00 0.00 WT2 O ATOM 33128 H1 TIP3 6534 -14.906 -4.439 -9.538 1.00 0.00 WT2 H ATOM 33129 H2 TIP3 6534 4.218 -22.148 3.682 1.00 0.00 WT2 H ATOM 33130 OH2 TIP3 6535 -0.342 -1.682 -3.766 1.00 0.00 WT2 O ATOM 33131 H1 TIP3 6535 -0.818 -6.388 9.427 1.00 0.00 WT2 H ATOM 33132 H2 TIP3 6535 2.757 4.353 -21.568 1.00 0.00 WT2 H ATOM 33133 OH2 TIP3 6536 -6.127 -2.486 -4.421 1.00 0.00 WT2 O ATOM 33134 H1 TIP3 6536 13.789 -13.570 -22.908 1.00 0.00 WT2 H ATOM 33135 H2 TIP3 6536 16.215 19.682 11.045 1.00 0.00 WT2 H ATOM 33136 OH2 TIP3 6537 1.878 4.884 -1.814 1.00 0.00 WT2 O ATOM 33137 H1 TIP3 6537 0.789 4.474 10.160 1.00 0.00 WT2 H ATOM 33138 H2 TIP3 6537 20.968 -19.391 6.804 1.00 0.00 WT2 H ATOM 33139 OH2 TIP3 6538 -0.321 2.982 -5.935 1.00 0.00 WT2 O ATOM 33140 H1 TIP3 6538 8.598 -10.810 3.654 1.00 0.00 WT2 H ATOM 33141 H2 TIP3 6538 -2.056 6.273 -11.751 1.00 0.00 WT2 H ATOM 33142 OH2 TIP3 6549 2.512 1.222 -5.578 1.00 0.00 WT2 O ATOM 33143 H1 TIP3 6549 -8.074 -19.725 1.051 1.00 0.00 WT2 H ATOM 33144 H2 TIP3 6549 -2.133 -14.388 -4.475 1.00 0.00 WT2 H ATOM 33145 OH2 TIP3 6551 -0.475 9.150 6.156 1.00 0.00 WT2 O ATOM 33146 H1 TIP3 6551 -4.824 -11.658 16.373 1.00 0.00 WT2 H ATOM 33147 H2 TIP3 6551 -19.324 -11.512 27.691 1.00 0.00 WT2 H ATOM 33148 OH2 TIP3 6552 1.452 -0.153 -3.089 1.00 0.00 WT2 O ATOM 33149 H1 TIP3 6552 26.191 11.249 -0.776 1.00 0.00 WT2 H ATOM 33150 H2 TIP3 6552 1.398 16.309 -3.816 1.00 0.00 WT2 H ATOM 33151 OH2 TIP3 6555 0.724 -3.314 -3.072 1.00 0.00 WT2 O ATOM 33152 H1 TIP3 6555 -1.313 5.146 -17.575 1.00 0.00 WT2 H ATOM 33153 H2 TIP3 6555 -16.417 11.889 10.886 1.00 0.00 WT2 H ATOM 33154 OH2 TIP3 6556 -6.684 2.634 -6.524 1.00 0.00 WT2 O ATOM 33155 H1 TIP3 6556 -2.059 -0.132 -17.138 1.00 0.00 WT2 H ATOM 33156 H2 TIP3 6556 -0.757 -7.560 14.078 1.00 0.00 WT2 H ATOM 33157 OH2 TIP3 6559 -5.510 -2.234 -0.956 1.00 0.00 WT2 O ATOM 33158 H1 TIP3 6559 16.844 17.544 10.067 1.00 0.00 WT2 H ATOM 33159 H2 TIP3 6559 8.351 -21.218 -29.023 1.00 0.00 WT2 H ATOM 33160 OH2 TIP3 6560 -5.763 3.175 -1.224 1.00 0.00 WT2 O ATOM 33161 H1 TIP3 6560 19.216 -4.595 -0.851 1.00 0.00 WT2 H ATOM 33162 H2 TIP3 6560 -3.039 6.071 0.363 1.00 0.00 WT2 H ATOM 33163 OH2 TIP3 6575 3.962 -3.956 4.227 1.00 0.00 WT2 O ATOM 33164 H1 TIP3 6575 -9.079 -1.484 0.633 1.00 0.00 WT2 H ATOM 33165 H2 TIP3 6575 -7.192 -1.715 0.852 1.00 0.00 WT2 H ATOM 33166 OH2 TIP3 6576 3.825 -1.032 -0.617 1.00 0.00 WT2 O ATOM 33167 H1 TIP3 6576 11.120 2.320 -1.477 1.00 0.00 WT2 H ATOM 33168 H2 TIP3 6576 3.725 1.203 -1.889 1.00 0.00 WT2 H ATOM 33169 OH2 TIP3 6577 8.781 10.023 3.453 1.00 0.00 WT2 O ATOM 33170 H1 TIP3 6577 7.054 22.059 12.062 1.00 0.00 WT2 H ATOM 33171 H2 TIP3 6577 8.590 14.914 5.080 1.00 0.00 WT2 H ATOM 33172 OH2 TIP3 6579 4.021 -1.811 1.210 1.00 0.00 WT2 O ATOM 33173 H1 TIP3 6579 1.556 -5.457 1.671 1.00 0.00 WT2 H ATOM 33174 H2 TIP3 6579 -1.182 -0.871 13.972 1.00 0.00 WT2 H ATOM 33175 OH2 TIP3 6580 5.678 1.762 -2.892 1.00 0.00 WT2 O ATOM 33176 H1 TIP3 6580 42.417 -10.405 -9.028 1.00 0.00 WT2 H ATOM 33177 H2 TIP3 6580 -20.804 4.652 2.095 1.00 0.00 WT2 H ATOM 33178 OH2 TIP3 6595 -4.294 6.947 -2.575 1.00 0.00 WT2 O ATOM 33179 H1 TIP3 6595 5.601 21.298 -10.398 1.00 0.00 WT2 H ATOM 33180 H2 TIP3 6595 -3.529 -1.905 27.877 1.00 0.00 WT2 H ATOM 33181 OH2 TIP3 6597 7.282 -4.100 3.651 1.00 0.00 WT2 O ATOM 33182 H1 TIP3 6597 10.984 -4.657 -0.697 1.00 0.00 WT2 H ATOM 33183 H2 TIP3 6597 -8.537 -9.582 10.870 1.00 0.00 WT2 H ATOM 33184 OH2 TIP3 6598 -4.457 1.079 -1.711 1.00 0.00 WT2 O ATOM 33185 H1 TIP3 6598 -9.641 14.796 5.686 1.00 0.00 WT2 H ATOM 33186 H2 TIP3 6598 7.302 5.892 -12.702 1.00 0.00 WT2 H ATOM 33187 OH2 TIP3 6599 3.929 -3.446 1.311 1.00 0.00 WT2 O ATOM 33188 H1 TIP3 6599 -5.498 9.737 2.100 1.00 0.00 WT2 H ATOM 33189 H2 TIP3 6599 11.190 9.208 13.767 1.00 0.00 WT2 H ATOM 33190 OH2 TIP3 6600 -7.349 0.264 2.842 1.00 0.00 WT2 O ATOM 33191 H1 TIP3 6600 -14.210 -7.828 -13.759 1.00 0.00 WT2 H ATOM 33192 H2 TIP3 6600 -2.889 20.157 4.692 1.00 0.00 WT2 H ATOM 33193 OH2 TIP3 6602 -4.988 -6.660 2.940 1.00 0.00 WT2 O ATOM 33194 H1 TIP3 6602 -3.700 -4.023 -12.692 1.00 0.00 WT2 H ATOM 33195 H2 TIP3 6602 4.715 21.861 2.695 1.00 0.00 WT2 H ATOM 33196 OH2 TIP3 6603 -0.196 7.144 -0.664 1.00 0.00 WT2 O ATOM 33197 H1 TIP3 6603 -2.124 -1.600 5.870 1.00 0.00 WT2 H ATOM 33198 H2 TIP3 6603 29.229 1.461 17.542 1.00 0.00 WT2 H ATOM 33199 OH2 TIP3 6615 2.227 2.122 0.058 1.00 0.00 WT2 O ATOM 33200 H1 TIP3 6615 -6.484 1.452 4.876 1.00 0.00 WT2 H ATOM 33201 H2 TIP3 6615 -7.263 5.057 9.189 1.00 0.00 WT2 H ATOM 33202 OH2 TIP3 6616 6.893 -7.095 -2.742 1.00 0.00 WT2 O ATOM 33203 H1 TIP3 6616 13.561 -20.488 18.689 1.00 0.00 WT2 H ATOM 33204 H2 TIP3 6616 -10.189 -2.255 -2.628 1.00 0.00 WT2 H ATOM 33205 OH2 TIP3 6618 -3.675 -2.468 -0.500 1.00 0.00 WT2 O ATOM 33206 H1 TIP3 6618 -19.184 1.771 1.995 1.00 0.00 WT2 H ATOM 33207 H2 TIP3 6618 2.557 28.427 3.981 1.00 0.00 WT2 H ATOM 33208 OH2 TIP3 6620 0.167 1.496 -7.781 1.00 0.00 WT2 O ATOM 33209 H1 TIP3 6620 -11.163 11.384 -4.183 1.00 0.00 WT2 H ATOM 33210 H2 TIP3 6620 7.518 17.693 -1.109 1.00 0.00 WT2 H ATOM 33211 OH2 TIP3 6621 -2.437 1.242 0.394 1.00 0.00 WT2 O ATOM 33212 H1 TIP3 6621 -19.695 -5.461 -4.006 1.00 0.00 WT2 H ATOM 33213 H2 TIP3 6621 -7.912 -14.860 6.337 1.00 0.00 WT2 H ATOM 33214 OH2 TIP3 6623 0.070 4.731 5.638 1.00 0.00 WT2 O ATOM 33215 H1 TIP3 6623 8.196 11.467 -3.399 1.00 0.00 WT2 H ATOM 33216 H2 TIP3 6623 1.958 3.562 5.114 1.00 0.00 WT2 H ATOM 33217 OH2 TIP3 6633 -4.542 2.039 3.208 1.00 0.00 WT2 O ATOM 33218 H1 TIP3 6633 4.403 -1.126 2.481 1.00 0.00 WT2 H ATOM 33219 H2 TIP3 6633 -8.134 4.930 -4.577 1.00 0.00 WT2 H ATOM 33220 OH2 TIP3 6637 7.313 -3.070 -6.596 1.00 0.00 WT2 O ATOM 33221 H1 TIP3 6637 -9.951 -7.119 -5.182 1.00 0.00 WT2 H ATOM 33222 H2 TIP3 6637 -3.206 22.671 8.736 1.00 0.00 WT2 H ATOM 33223 OH2 TIP3 6638 2.861 -4.169 2.488 1.00 0.00 WT2 O ATOM 33224 H1 TIP3 6638 10.089 5.259 -14.557 1.00 0.00 WT2 H ATOM 33225 H2 TIP3 6638 13.137 8.071 -19.334 1.00 0.00 WT2 H ATOM 33226 OH2 TIP3 6639 -7.074 5.964 -1.429 1.00 0.00 WT2 O ATOM 33227 H1 TIP3 6639 -4.743 -1.732 -20.044 1.00 0.00 WT2 H ATOM 33228 H2 TIP3 6639 -6.999 9.944 13.904 1.00 0.00 WT2 H ATOM 33229 OH2 TIP3 6640 -2.182 0.106 -4.561 1.00 0.00 WT2 O ATOM 33230 H1 TIP3 6640 2.244 6.783 3.098 1.00 0.00 WT2 H ATOM 33231 H2 TIP3 6640 -8.058 -6.768 -3.657 1.00 0.00 WT2 H ATOM 33232 OH2 TIP3 6641 -0.561 2.486 1.297 1.00 0.00 WT2 O ATOM 33233 H1 TIP3 6641 -6.500 10.743 -0.014 1.00 0.00 WT2 H ATOM 33234 H2 TIP3 6641 11.130 -1.090 -4.635 1.00 0.00 WT2 H ATOM 33235 OH2 TIP3 6642 7.159 -0.015 -4.860 1.00 0.00 WT2 O ATOM 33236 H1 TIP3 6642 9.018 -1.078 -3.430 1.00 0.00 WT2 H ATOM 33237 H2 TIP3 6642 11.224 4.770 -8.664 1.00 0.00 WT2 H ATOM 33238 OH2 TIP3 6645 -2.348 -4.521 3.229 1.00 0.00 WT2 O ATOM 33239 H1 TIP3 6645 28.388 -21.906 2.644 1.00 0.00 WT2 H ATOM 33240 H2 TIP3 6645 -0.620 -15.230 0.979 1.00 0.00 WT2 H ATOM 33241 OH2 TIP3 6656 9.098 -3.293 0.701 1.00 0.00 WT2 O ATOM 33242 H1 TIP3 6656 15.041 3.899 -13.359 1.00 0.00 WT2 H ATOM 33243 H2 TIP3 6656 -1.214 -3.788 1.567 1.00 0.00 WT2 H ATOM 33244 OH2 TIP3 6659 -3.563 -1.606 -1.959 1.00 0.00 WT2 O ATOM 33245 H1 TIP3 6659 -3.629 -7.586 -19.267 1.00 0.00 WT2 H ATOM 33246 H2 TIP3 6659 10.700 -9.135 6.738 1.00 0.00 WT2 H ATOM 33247 OH2 TIP3 6660 0.120 -7.353 -4.190 1.00 0.00 WT2 O ATOM 33248 H1 TIP3 6660 3.840 -13.591 2.141 1.00 0.00 WT2 H ATOM 33249 H2 TIP3 6660 -6.586 0.519 -14.534 1.00 0.00 WT2 H ATOM 33250 OH2 TIP3 6661 3.636 -0.472 2.218 1.00 0.00 WT2 O ATOM 33251 H1 TIP3 6661 -11.544 -21.598 4.261 1.00 0.00 WT2 H ATOM 33252 H2 TIP3 6661 18.886 1.012 23.786 1.00 0.00 WT2 H ATOM 33253 OH2 TIP3 6662 9.524 0.755 -2.821 1.00 0.00 WT2 O ATOM 33254 H1 TIP3 6662 7.502 12.690 13.177 1.00 0.00 WT2 H ATOM 33255 H2 TIP3 6662 5.965 -2.216 -39.155 1.00 0.00 WT2 H ATOM 33256 OH2 TIP3 6664 2.123 3.366 1.722 1.00 0.00 WT2 O ATOM 33257 H1 TIP3 6664 15.080 -5.062 35.378 1.00 0.00 WT2 H ATOM 33258 H2 TIP3 6664 -10.657 0.174 -5.426 1.00 0.00 WT2 H ATOM 33259 OH2 TIP3 6671 -4.459 7.838 1.262 1.00 0.00 WT2 O ATOM 33260 H1 TIP3 6671 -4.666 5.396 -0.361 1.00 0.00 WT2 H ATOM 33261 H2 TIP3 6671 -1.953 5.634 4.477 1.00 0.00 WT2 H ATOM 33262 OH2 TIP3 6679 -4.936 -1.459 -8.315 1.00 0.00 WT2 O ATOM 33263 H1 TIP3 6679 -6.518 -1.101 -16.035 1.00 0.00 WT2 H ATOM 33264 H2 TIP3 6679 -14.024 7.802 4.562 1.00 0.00 WT2 H ATOM 33265 OH2 TIP3 6681 -5.285 -1.687 -0.821 1.00 0.00 WT2 O ATOM 33266 H1 TIP3 6681 -16.798 -0.527 -7.543 1.00 0.00 WT2 H ATOM 33267 H2 TIP3 6681 3.822 1.879 -10.035 1.00 0.00 WT2 H ATOM 33268 OH2 TIP3 6684 8.265 3.977 -3.858 1.00 0.00 WT2 O ATOM 33269 H1 TIP3 6684 0.768 12.786 1.110 1.00 0.00 WT2 H ATOM 33270 H2 TIP3 6684 -5.451 16.533 15.468 1.00 0.00 WT2 H ATOM 33271 OH2 TIP3 6686 -5.451 0.644 -0.605 1.00 0.00 WT2 O ATOM 33272 H1 TIP3 6686 8.598 -11.949 10.699 1.00 0.00 WT2 H ATOM 33273 H2 TIP3 6686 -6.039 11.141 -4.680 1.00 0.00 WT2 H ATOM 33274 OH2 TIP3 6698 4.396 -0.775 6.544 1.00 0.00 WT2 O ATOM 33275 H1 TIP3 6698 7.618 -2.240 18.188 1.00 0.00 WT2 H ATOM 33276 H2 TIP3 6698 13.764 2.131 -5.145 1.00 0.00 WT2 H ATOM 33277 OH2 TIP3 6700 1.986 3.337 -4.797 1.00 0.00 WT2 O ATOM 33278 H1 TIP3 6700 16.521 -9.017 -1.065 1.00 0.00 WT2 H ATOM 33279 H2 TIP3 6700 -7.069 -5.738 -10.138 1.00 0.00 WT2 H ATOM 33280 OH2 TIP3 6701 -3.950 -5.985 4.729 1.00 0.00 WT2 O ATOM 33281 H1 TIP3 6701 0.333 5.250 -15.501 1.00 0.00 WT2 H ATOM 33282 H2 TIP3 6701 -0.985 1.449 16.449 1.00 0.00 WT2 H ATOM 33283 OH2 TIP3 6703 1.115 -8.330 -4.931 1.00 0.00 WT2 O ATOM 33284 H1 TIP3 6703 11.741 -0.560 4.960 1.00 0.00 WT2 H ATOM 33285 H2 TIP3 6703 17.221 17.810 -30.549 1.00 0.00 WT2 H ATOM 33286 OH2 TIP3 6704 -2.234 -9.753 -1.116 1.00 0.00 WT2 O ATOM 33287 H1 TIP3 6704 -9.443 -5.356 3.587 1.00 0.00 WT2 H ATOM 33288 H2 TIP3 6704 0.502 -14.505 -6.855 1.00 0.00 WT2 H ATOM 33289 OH2 TIP3 6705 -2.778 5.924 -3.227 1.00 0.00 WT2 O ATOM 33290 H1 TIP3 6705 7.595 1.572 -9.970 1.00 0.00 WT2 H ATOM 33291 H2 TIP3 6705 -2.070 10.115 -4.725 1.00 0.00 WT2 H ATOM 33292 OH2 TIP3 6706 -10.719 3.660 0.421 1.00 0.00 WT2 O ATOM 33293 H1 TIP3 6706 17.856 -5.621 -18.020 1.00 0.00 WT2 H ATOM 33294 H2 TIP3 6706 3.216 4.171 -27.729 1.00 0.00 WT2 H ATOM 33295 OH2 TIP3 6721 -1.088 4.656 4.327 1.00 0.00 WT2 O ATOM 33296 H1 TIP3 6721 14.664 19.684 -17.559 1.00 0.00 WT2 H ATOM 33297 H2 TIP3 6721 8.553 9.292 -13.171 1.00 0.00 WT2 H ATOM 33298 OH2 TIP3 6722 5.918 4.039 -4.660 1.00 0.00 WT2 O ATOM 33299 H1 TIP3 6722 2.783 2.511 -4.853 1.00 0.00 WT2 H ATOM 33300 H2 TIP3 6722 -0.702 1.164 -6.480 1.00 0.00 WT2 H ATOM 33301 OH2 TIP3 6726 -1.387 -4.036 -0.150 1.00 0.00 WT2 O ATOM 33302 H1 TIP3 6726 -19.211 -2.910 15.048 1.00 0.00 WT2 H ATOM 33303 H2 TIP3 6726 -1.184 4.651 2.469 1.00 0.00 WT2 H ATOM 33304 OH2 TIP3 6727 8.074 -1.334 -0.325 1.00 0.00 WT2 O ATOM 33305 H1 TIP3 6727 17.042 -16.466 10.861 1.00 0.00 WT2 H ATOM 33306 H2 TIP3 6727 4.713 16.851 15.925 1.00 0.00 WT2 H ATOM 33307 OH2 TIP3 6730 -0.869 -0.015 -1.150 1.00 0.00 WT2 O ATOM 33308 H1 TIP3 6730 4.140 22.165 4.512 1.00 0.00 WT2 H ATOM 33309 H2 TIP3 6730 9.477 2.133 -2.130 1.00 0.00 WT2 H ATOM 33310 OH2 TIP3 6731 -3.426 -2.064 1.710 1.00 0.00 WT2 O ATOM 33311 H1 TIP3 6731 16.777 11.900 19.117 1.00 0.00 WT2 H ATOM 33312 H2 TIP3 6731 6.509 -30.275 -0.774 1.00 0.00 WT2 H ATOM 33313 OH2 TIP3 6740 5.049 3.132 0.702 1.00 0.00 WT2 O ATOM 33314 H1 TIP3 6740 1.263 0.249 -4.048 1.00 0.00 WT2 H ATOM 33315 H2 TIP3 6740 7.009 -4.476 11.664 1.00 0.00 WT2 H ATOM 33316 OH2 TIP3 6742 -1.042 -1.688 -7.418 1.00 0.00 WT2 O ATOM 33317 H1 TIP3 6742 8.103 -1.382 -14.371 1.00 0.00 WT2 H ATOM 33318 H2 TIP3 6742 33.765 -3.371 -11.932 1.00 0.00 WT2 H ATOM 33319 OH2 TIP3 6743 -1.888 0.729 4.768 1.00 0.00 WT2 O ATOM 33320 H1 TIP3 6743 0.324 -1.392 7.837 1.00 0.00 WT2 H ATOM 33321 H2 TIP3 6743 -9.412 2.528 11.142 1.00 0.00 WT2 H ATOM 33322 OH2 TIP3 6745 -2.372 3.274 -4.602 1.00 0.00 WT2 O ATOM 33323 H1 TIP3 6745 -11.834 7.392 -4.890 1.00 0.00 WT2 H ATOM 33324 H2 TIP3 6745 3.073 11.333 1.174 1.00 0.00 WT2 H ATOM 33325 OH2 TIP3 6748 -1.737 0.801 -2.299 1.00 0.00 WT2 O ATOM 33326 H1 TIP3 6748 -0.073 -13.541 -16.577 1.00 0.00 WT2 H ATOM 33327 H2 TIP3 6748 2.544 14.470 -4.326 1.00 0.00 WT2 H ATOM 33328 OH2 TIP3 6750 -0.536 9.457 -2.534 1.00 0.00 WT2 O ATOM 33329 H1 TIP3 6750 -5.315 9.852 8.254 1.00 0.00 WT2 H ATOM 33330 H2 TIP3 6750 -4.050 5.294 25.023 1.00 0.00 WT2 H ATOM 33331 OH2 TIP3 6762 -1.862 -0.822 1.659 1.00 0.00 WT2 O ATOM 33332 H1 TIP3 6762 23.085 -4.464 -1.912 1.00 0.00 WT2 H ATOM 33333 H2 TIP3 6762 -16.608 -1.708 -4.897 1.00 0.00 WT2 H ATOM 33334 OH2 TIP3 6763 0.895 -0.564 -0.142 1.00 0.00 WT2 O ATOM 33335 H1 TIP3 6763 -18.140 20.678 -13.155 1.00 0.00 WT2 H ATOM 33336 H2 TIP3 6763 3.294 0.335 -0.210 1.00 0.00 WT2 H ATOM 33337 OH2 TIP3 6765 -2.852 -1.858 -2.375 1.00 0.00 WT2 O ATOM 33338 H1 TIP3 6765 -7.940 6.747 -4.086 1.00 0.00 WT2 H ATOM 33339 H2 TIP3 6765 -18.218 -2.544 -8.075 1.00 0.00 WT2 H ATOM 33340 OH2 TIP3 6767 2.848 -2.797 5.811 1.00 0.00 WT2 O ATOM 33341 H1 TIP3 6767 -4.665 -4.457 6.140 1.00 0.00 WT2 H ATOM 33342 H2 TIP3 6767 48.410 -21.670 -6.346 1.00 0.00 WT2 H ATOM 33343 OH2 TIP3 6768 -0.861 -1.938 7.076 1.00 0.00 WT2 O ATOM 33344 H1 TIP3 6768 -18.925 2.689 21.198 1.00 0.00 WT2 H ATOM 33345 H2 TIP3 6768 8.449 -14.895 -4.799 1.00 0.00 WT2 H ATOM 33346 OH2 TIP3 6769 0.870 -0.139 -1.835 1.00 0.00 WT2 O ATOM 33347 H1 TIP3 6769 -0.168 4.720 12.925 1.00 0.00 WT2 H ATOM 33348 H2 TIP3 6769 -8.873 -3.424 25.340 1.00 0.00 WT2 H ATOM 33349 OH2 TIP3 6770 3.741 -0.323 2.255 1.00 0.00 WT2 O ATOM 33350 H1 TIP3 6770 14.342 -0.226 17.618 1.00 0.00 WT2 H ATOM 33351 H2 TIP3 6770 -11.462 2.753 12.103 1.00 0.00 WT2 H ATOM 33352 OH2 TIP3 6771 2.681 -1.786 2.359 1.00 0.00 WT2 O ATOM 33353 H1 TIP3 6771 9.347 -2.626 -9.953 1.00 0.00 WT2 H ATOM 33354 H2 TIP3 6771 3.090 -16.113 9.903 1.00 0.00 WT2 H ATOM 33355 OH2 TIP3 6786 9.679 6.639 3.221 1.00 0.00 WT2 O ATOM 33356 H1 TIP3 6786 26.551 6.546 3.500 1.00 0.00 WT2 H ATOM 33357 H2 TIP3 6786 13.594 6.899 4.544 1.00 0.00 WT2 H ATOM 33358 OH2 TIP3 6788 1.788 -0.481 3.363 1.00 0.00 WT2 O ATOM 33359 H1 TIP3 6788 -11.161 25.798 16.808 1.00 0.00 WT2 H ATOM 33360 H2 TIP3 6788 16.998 -24.098 -12.821 1.00 0.00 WT2 H ATOM 33361 OH2 TIP3 6790 2.349 -1.498 -0.723 1.00 0.00 WT2 O ATOM 33362 H1 TIP3 6790 11.060 -13.841 12.714 1.00 0.00 WT2 H ATOM 33363 H2 TIP3 6790 -2.139 0.366 -6.866 1.00 0.00 WT2 H ATOM 33364 OH2 TIP3 6791 -2.320 3.871 -9.211 1.00 0.00 WT2 O ATOM 33365 H1 TIP3 6791 -2.880 6.980 -3.447 1.00 0.00 WT2 H ATOM 33366 H2 TIP3 6791 3.970 20.214 -20.474 1.00 0.00 WT2 H ATOM 33367 OH2 TIP3 6792 -2.831 0.015 1.328 1.00 0.00 WT2 O ATOM 33368 H1 TIP3 6792 -5.064 11.765 3.032 1.00 0.00 WT2 H ATOM 33369 H2 TIP3 6792 25.403 -19.302 -2.586 1.00 0.00 WT2 H ATOM 33370 OH2 TIP3 6803 2.231 -3.934 -0.839 1.00 0.00 WT2 O ATOM 33371 H1 TIP3 6803 -22.792 0.319 4.157 1.00 0.00 WT2 H ATOM 33372 H2 TIP3 6803 5.461 -13.041 25.125 1.00 0.00 WT2 H ATOM 33373 OH2 TIP3 6807 -8.823 1.189 3.559 1.00 0.00 WT2 O ATOM 33374 H1 TIP3 6807 24.544 -13.989 -28.457 1.00 0.00 WT2 H ATOM 33375 H2 TIP3 6807 -4.270 -0.072 28.348 1.00 0.00 WT2 H ATOM 33376 OH2 TIP3 6810 7.057 0.151 -4.272 1.00 0.00 WT2 O ATOM 33377 H1 TIP3 6810 26.422 -24.824 -6.356 1.00 0.00 WT2 H ATOM 33378 H2 TIP3 6810 -36.870 -12.185 11.876 1.00 0.00 WT2 H ATOM 33379 OH2 TIP3 6811 -2.897 -5.907 1.997 1.00 0.00 WT2 O ATOM 33380 H1 TIP3 6811 -0.235 -34.887 16.725 1.00 0.00 WT2 H ATOM 33381 H2 TIP3 6811 -7.999 5.607 1.956 1.00 0.00 WT2 H ATOM 33382 OH2 TIP3 6813 0.291 3.937 6.584 1.00 0.00 WT2 O ATOM 33383 H1 TIP3 6813 -21.011 11.802 -8.473 1.00 0.00 WT2 H ATOM 33384 H2 TIP3 6813 -14.944 6.212 -11.872 1.00 0.00 WT2 H ATOM 33385 OH2 TIP3 6815 -2.742 -0.416 -0.365 1.00 0.00 WT2 O ATOM 33386 H1 TIP3 6815 -3.612 -12.395 5.982 1.00 0.00 WT2 H ATOM 33387 H2 TIP3 6815 6.880 6.754 -25.488 1.00 0.00 WT2 H ATOM 33388 OH2 TIP3 6825 -5.303 0.376 -2.931 1.00 0.00 WT2 O ATOM 33389 H1 TIP3 6825 -11.853 -1.035 8.710 1.00 0.00 WT2 H ATOM 33390 H2 TIP3 6825 4.141 4.630 -12.631 1.00 0.00 WT2 H ATOM 33391 OH2 TIP3 6826 3.878 5.463 3.073 1.00 0.00 WT2 O ATOM 33392 H1 TIP3 6826 -3.669 8.105 20.045 1.00 0.00 WT2 H ATOM 33393 H2 TIP3 6826 11.069 13.043 6.936 1.00 0.00 WT2 H ATOM 33394 OH2 TIP3 6827 -0.317 1.729 -4.780 1.00 0.00 WT2 O ATOM 33395 H1 TIP3 6827 8.625 4.072 -9.732 1.00 0.00 WT2 H ATOM 33396 H2 TIP3 6827 -18.411 20.432 -0.209 1.00 0.00 WT2 H ATOM 33397 OH2 TIP3 6828 -2.505 -5.254 -1.933 1.00 0.00 WT2 O ATOM 33398 H1 TIP3 6828 -0.768 7.589 -13.593 1.00 0.00 WT2 H ATOM 33399 H2 TIP3 6828 -5.190 -4.652 -3.147 1.00 0.00 WT2 H ATOM 33400 OH2 TIP3 6831 -0.310 -0.795 -1.520 1.00 0.00 WT2 O ATOM 33401 H1 TIP3 6831 6.089 0.057 -2.153 1.00 0.00 WT2 H ATOM 33402 H2 TIP3 6831 -8.248 13.823 -24.350 1.00 0.00 WT2 H ATOM 33403 OH2 TIP3 6834 -6.704 4.228 -0.807 1.00 0.00 WT2 O ATOM 33404 H1 TIP3 6834 -18.757 -2.227 8.979 1.00 0.00 WT2 H ATOM 33405 H2 TIP3 6834 -4.534 26.231 4.823 1.00 0.00 WT2 H ATOM 33406 OH2 TIP3 6836 -1.437 7.301 1.930 1.00 0.00 WT2 O ATOM 33407 H1 TIP3 6836 14.071 15.293 -3.034 1.00 0.00 WT2 H ATOM 33408 H2 TIP3 6836 21.688 7.625 -6.186 1.00 0.00 WT2 H ATOM 33409 OH2 TIP3 6846 0.023 4.443 -1.180 1.00 0.00 WT2 O ATOM 33410 H1 TIP3 6846 13.307 -6.248 -7.920 1.00 0.00 WT2 H ATOM 33411 H2 TIP3 6846 0.294 4.332 11.412 1.00 0.00 WT2 H ATOM 33412 OH2 TIP3 6848 0.914 1.703 -1.159 1.00 0.00 WT2 O ATOM 33413 H1 TIP3 6848 -15.214 -9.725 -16.080 1.00 0.00 WT2 H ATOM 33414 H2 TIP3 6848 -5.121 -2.010 -9.496 1.00 0.00 WT2 H ATOM 33415 OH2 TIP3 6849 1.443 0.537 3.079 1.00 0.00 WT2 O ATOM 33416 H1 TIP3 6849 -8.957 -0.110 13.024 1.00 0.00 WT2 H ATOM 33417 H2 TIP3 6849 9.929 2.442 -4.468 1.00 0.00 WT2 H ATOM 33418 OH2 TIP3 6850 2.887 -6.898 3.815 1.00 0.00 WT2 O ATOM 33419 H1 TIP3 6850 -1.373 7.523 -48.172 1.00 0.00 WT2 H ATOM 33420 H2 TIP3 6850 -21.258 6.238 -17.195 1.00 0.00 WT2 H ATOM 33421 OH2 TIP3 6851 -1.938 -1.121 -3.670 1.00 0.00 WT2 O ATOM 33422 H1 TIP3 6851 -6.035 -12.975 0.791 1.00 0.00 WT2 H ATOM 33423 H2 TIP3 6851 0.068 -16.648 -7.196 1.00 0.00 WT2 H ATOM 33424 OH2 TIP3 6852 5.347 4.421 1.409 1.00 0.00 WT2 O ATOM 33425 H1 TIP3 6852 8.539 -23.666 -9.627 1.00 0.00 WT2 H ATOM 33426 H2 TIP3 6852 6.696 20.151 17.200 1.00 0.00 WT2 H ATOM 33427 OH2 TIP3 6853 1.022 -1.072 -0.330 1.00 0.00 WT2 O ATOM 33428 H1 TIP3 6853 11.618 -7.594 6.956 1.00 0.00 WT2 H ATOM 33429 H2 TIP3 6853 -13.487 11.761 4.667 1.00 0.00 WT2 H ATOM 33430 OH2 TIP3 6854 0.151 -2.241 4.497 1.00 0.00 WT2 O ATOM 33431 H1 TIP3 6854 24.132 30.922 -9.791 1.00 0.00 WT2 H ATOM 33432 H2 TIP3 6854 -2.357 -0.221 7.571 1.00 0.00 WT2 H ATOM 33433 OH2 TIP3 6855 -3.679 3.074 -2.471 1.00 0.00 WT2 O ATOM 33434 H1 TIP3 6855 -15.048 -9.769 7.498 1.00 0.00 WT2 H ATOM 33435 H2 TIP3 6855 0.018 5.448 -10.507 1.00 0.00 WT2 H ATOM 33436 OH2 TIP3 6866 -1.857 4.415 6.551 1.00 0.00 WT2 O ATOM 33437 H1 TIP3 6866 8.134 -7.775 -8.882 1.00 0.00 WT2 H ATOM 33438 H2 TIP3 6866 7.819 -13.654 21.967 1.00 0.00 WT2 H ATOM 33439 OH2 TIP3 6867 -4.973 -2.903 1.199 1.00 0.00 WT2 O ATOM 33440 H1 TIP3 6867 -4.400 2.609 9.186 1.00 0.00 WT2 H ATOM 33441 H2 TIP3 6867 -6.763 -5.559 7.169 1.00 0.00 WT2 H ATOM 33442 OH2 TIP3 6869 -4.070 3.072 1.072 1.00 0.00 WT2 O ATOM 33443 H1 TIP3 6869 -10.383 1.664 6.513 1.00 0.00 WT2 H ATOM 33444 H2 TIP3 6869 -9.889 -8.656 -1.035 1.00 0.00 WT2 H ATOM 33445 OH2 TIP3 6870 -1.957 -8.139 2.404 1.00 0.00 WT2 O ATOM 33446 H1 TIP3 6870 -1.186 1.703 -4.745 1.00 0.00 WT2 H ATOM 33447 H2 TIP3 6870 -14.389 0.523 -6.654 1.00 0.00 WT2 H ATOM 33448 OH2 TIP3 6872 -1.966 -0.516 3.414 1.00 0.00 WT2 O ATOM 33449 H1 TIP3 6872 16.700 3.704 3.793 1.00 0.00 WT2 H ATOM 33450 H2 TIP3 6872 -2.849 -23.549 5.790 1.00 0.00 WT2 H ATOM 33451 OH2 TIP3 6874 -5.697 3.950 -3.418 1.00 0.00 WT2 O ATOM 33452 H1 TIP3 6874 13.316 -0.549 -10.068 1.00 0.00 WT2 H ATOM 33453 H2 TIP3 6874 10.365 -13.607 -3.725 1.00 0.00 WT2 H ATOM 33454 OH2 TIP3 6886 -1.474 0.982 4.900 1.00 0.00 WT2 O ATOM 33455 H1 TIP3 6886 -20.308 18.607 16.456 1.00 0.00 WT2 H ATOM 33456 H2 TIP3 6886 -7.654 -5.944 -10.175 1.00 0.00 WT2 H ATOM 33457 OH2 TIP3 6887 -6.768 -1.151 -8.849 1.00 0.00 WT2 O ATOM 33458 H1 TIP3 6887 -7.204 -3.615 7.119 1.00 0.00 WT2 H ATOM 33459 H2 TIP3 6887 -21.537 11.987 -21.868 1.00 0.00 WT2 H ATOM 33460 OH2 TIP3 6889 -2.913 -1.947 -4.368 1.00 0.00 WT2 O ATOM 33461 H1 TIP3 6889 -3.209 -13.588 7.384 1.00 0.00 WT2 H ATOM 33462 H2 TIP3 6889 -1.252 -2.107 -2.212 1.00 0.00 WT2 H ATOM 33463 OH2 TIP3 6890 0.132 5.580 0.275 1.00 0.00 WT2 O ATOM 33464 H1 TIP3 6890 11.986 9.301 -7.219 1.00 0.00 WT2 H ATOM 33465 H2 TIP3 6890 -8.804 3.625 5.196 1.00 0.00 WT2 H ATOM 33466 OH2 TIP3 6893 1.025 -1.373 -2.605 1.00 0.00 WT2 O ATOM 33467 H1 TIP3 6893 5.390 -1.483 13.070 1.00 0.00 WT2 H ATOM 33468 H2 TIP3 6893 -3.397 12.283 -1.695 1.00 0.00 WT2 H ATOM 33469 OH2 TIP3 6896 0.840 5.113 1.621 1.00 0.00 WT2 O ATOM 33470 H1 TIP3 6896 -9.501 4.773 1.511 1.00 0.00 WT2 H ATOM 33471 H2 TIP3 6896 9.370 -4.477 4.342 1.00 0.00 WT2 H ATOM 33472 OH2 TIP3 6910 2.239 -1.748 1.740 1.00 0.00 WT2 O ATOM 33473 H1 TIP3 6910 16.748 6.863 14.086 1.00 0.00 WT2 H ATOM 33474 H2 TIP3 6910 -21.694 -7.071 11.468 1.00 0.00 WT2 H ATOM 33475 OH2 TIP3 6911 -7.094 1.687 -0.289 1.00 0.00 WT2 O ATOM 33476 H1 TIP3 6911 12.527 4.923 -15.525 1.00 0.00 WT2 H ATOM 33477 H2 TIP3 6911 -12.638 18.878 10.601 1.00 0.00 WT2 H ATOM 33478 OH2 TIP3 6913 1.070 -7.717 -1.268 1.00 0.00 WT2 O ATOM 33479 H1 TIP3 6913 3.393 4.530 2.625 1.00 0.00 WT2 H ATOM 33480 H2 TIP3 6913 0.630 0.278 -16.479 1.00 0.00 WT2 H ATOM 33481 OH2 TIP3 6914 0.959 -0.887 -5.565 1.00 0.00 WT2 O ATOM 33482 H1 TIP3 6914 10.007 8.260 6.862 1.00 0.00 WT2 H ATOM 33483 H2 TIP3 6914 18.354 -12.976 -0.905 1.00 0.00 WT2 H ATOM 33484 OH2 TIP3 6915 -5.528 -3.310 7.476 1.00 0.00 WT2 O ATOM 33485 H1 TIP3 6915 -21.520 10.642 -1.613 1.00 0.00 WT2 H ATOM 33486 H2 TIP3 6915 3.988 -17.712 5.043 1.00 0.00 WT2 H ATOM 33487 OH2 TIP3 6916 -7.872 -9.375 -0.317 1.00 0.00 WT2 O ATOM 33488 H1 TIP3 6916 -8.012 -11.466 0.757 1.00 0.00 WT2 H ATOM 33489 H2 TIP3 6916 -7.733 -12.087 -1.876 1.00 0.00 WT2 H ATOM 33490 OH2 TIP3 6919 -3.052 4.124 -5.273 1.00 0.00 WT2 O ATOM 33491 H1 TIP3 6919 -1.678 -6.197 -8.063 1.00 0.00 WT2 H ATOM 33492 H2 TIP3 6919 6.956 6.442 1.198 1.00 0.00 WT2 H ATOM 33493 OH2 TIP3 6928 -0.369 5.051 4.127 1.00 0.00 WT2 O ATOM 33494 H1 TIP3 6928 -12.612 -5.281 11.012 1.00 0.00 WT2 H ATOM 33495 H2 TIP3 6928 -2.614 -4.895 7.087 1.00 0.00 WT2 H ATOM 33496 OH2 TIP3 6932 4.744 -3.395 0.768 1.00 0.00 WT2 O ATOM 33497 H1 TIP3 6932 1.199 0.678 0.151 1.00 0.00 WT2 H ATOM 33498 H2 TIP3 6932 6.822 -6.077 0.895 1.00 0.00 WT2 H ATOM 33499 OH2 TIP3 6933 -2.980 5.117 -2.852 1.00 0.00 WT2 O ATOM 33500 H1 TIP3 6933 -3.255 -0.160 -4.086 1.00 0.00 WT2 H ATOM 33501 H2 TIP3 6933 -27.576 -2.966 13.386 1.00 0.00 WT2 H ATOM 33502 OH2 TIP3 6935 1.378 -0.224 0.894 1.00 0.00 WT2 O ATOM 33503 H1 TIP3 6935 -0.265 13.761 -3.217 1.00 0.00 WT2 H ATOM 33504 H2 TIP3 6935 1.268 5.640 8.012 1.00 0.00 WT2 H ATOM 33505 OH2 TIP3 6936 0.261 -4.238 -4.334 1.00 0.00 WT2 O ATOM 33506 H1 TIP3 6936 -6.252 -16.941 -7.107 1.00 0.00 WT2 H ATOM 33507 H2 TIP3 6936 -10.181 3.625 -3.299 1.00 0.00 WT2 H ATOM 33508 OH2 TIP3 6952 -0.980 3.451 -1.248 1.00 0.00 WT2 O ATOM 33509 H1 TIP3 6952 7.013 -15.795 -7.498 1.00 0.00 WT2 H ATOM 33510 H2 TIP3 6952 -6.605 11.919 3.920 1.00 0.00 WT2 H ATOM 33511 OH2 TIP3 6953 4.584 2.123 6.994 1.00 0.00 WT2 O ATOM 33512 H1 TIP3 6953 -21.400 7.361 -1.742 1.00 0.00 WT2 H ATOM 33513 H2 TIP3 6953 21.942 -22.748 5.804 1.00 0.00 WT2 H ATOM 33514 OH2 TIP3 6955 4.093 10.274 -2.271 1.00 0.00 WT2 O ATOM 33515 H1 TIP3 6955 4.500 -14.642 -2.277 1.00 0.00 WT2 H ATOM 33516 H2 TIP3 6955 3.913 22.045 -1.338 1.00 0.00 WT2 H ATOM 33517 OH2 TIP3 6957 3.161 -5.990 4.782 1.00 0.00 WT2 O ATOM 33518 H1 TIP3 6957 21.374 8.713 10.867 1.00 0.00 WT2 H ATOM 33519 H2 TIP3 6957 -16.246 5.220 -3.067 1.00 0.00 WT2 H ATOM 33520 OH2 TIP3 6959 -1.459 3.199 3.970 1.00 0.00 WT2 O ATOM 33521 H1 TIP3 6959 2.576 -2.698 9.220 1.00 0.00 WT2 H ATOM 33522 H2 TIP3 6959 -11.507 19.203 -11.504 1.00 0.00 WT2 H ATOM 33523 OH2 TIP3 6970 -1.079 -3.301 -3.058 1.00 0.00 WT2 O ATOM 33524 H1 TIP3 6970 15.360 -3.556 -4.997 1.00 0.00 WT2 H ATOM 33525 H2 TIP3 6970 -5.952 -7.924 -17.874 1.00 0.00 WT2 H ATOM 33526 OH2 TIP3 6973 0.655 -1.256 -1.745 1.00 0.00 WT2 O ATOM 33527 H1 TIP3 6973 6.319 -1.587 -0.003 1.00 0.00 WT2 H ATOM 33528 H2 TIP3 6973 -2.735 4.097 1.145 1.00 0.00 WT2 H ATOM 33529 OH2 TIP3 6975 5.187 3.777 -1.304 1.00 0.00 WT2 O ATOM 33530 H1 TIP3 6975 5.960 -3.220 -0.351 1.00 0.00 WT2 H ATOM 33531 H2 TIP3 6975 10.627 6.649 0.794 1.00 0.00 WT2 H ATOM 33532 OH2 TIP3 6977 -9.513 -6.738 -2.215 1.00 0.00 WT2 O ATOM 33533 H1 TIP3 6977 -4.803 -5.979 -9.740 1.00 0.00 WT2 H ATOM 33534 H2 TIP3 6977 -25.793 -2.123 -15.230 1.00 0.00 WT2 H ATOM 33535 OH2 TIP3 6978 -5.313 -1.950 5.301 1.00 0.00 WT2 O ATOM 33536 H1 TIP3 6978 -17.886 -5.623 -19.679 1.00 0.00 WT2 H ATOM 33537 H2 TIP3 6978 -13.696 -4.389 -8.707 1.00 0.00 WT2 H ATOM 33538 OH2 TIP3 6980 -6.411 -0.168 -6.118 1.00 0.00 WT2 O ATOM 33539 H1 TIP3 6980 -1.373 18.133 -1.535 1.00 0.00 WT2 H ATOM 33540 H2 TIP3 6980 -6.312 15.043 23.897 1.00 0.00 WT2 H ATOM 33541 OH2 TIP3 6993 -1.803 -5.713 -2.324 1.00 0.00 WT2 O ATOM 33542 H1 TIP3 6993 -2.102 -4.064 9.480 1.00 0.00 WT2 H ATOM 33543 H2 TIP3 6993 -0.792 -3.303 -0.031 1.00 0.00 WT2 H ATOM 33544 OH2 TIP3 6995 5.021 -0.377 5.379 1.00 0.00 WT2 O ATOM 33545 H1 TIP3 6995 10.143 -11.055 7.290 1.00 0.00 WT2 H ATOM 33546 H2 TIP3 6995 -0.906 -0.686 5.407 1.00 0.00 WT2 H ATOM 33547 OH2 TIP3 6997 1.013 -0.979 1.077 1.00 0.00 WT2 O ATOM 33548 H1 TIP3 6997 16.922 -2.262 -8.792 1.00 0.00 WT2 H ATOM 33549 H2 TIP3 6997 -1.884 -8.452 -0.976 1.00 0.00 WT2 H ATOM 33550 OH2 TIP3 6998 -5.998 -1.840 -0.835 1.00 0.00 WT2 O ATOM 33551 H1 TIP3 6998 21.832 -21.632 -8.920 1.00 0.00 WT2 H ATOM 33552 H2 TIP3 6998 -4.310 -4.772 0.537 1.00 0.00 WT2 H ATOM 33553 OH2 TIP3 6999 4.925 -0.492 3.464 1.00 0.00 WT2 O ATOM 33554 H1 TIP3 6999 3.793 7.872 -8.361 1.00 0.00 WT2 H ATOM 33555 H2 TIP3 6999 17.132 9.642 5.957 1.00 0.00 WT2 H ATOM 33556 OH2 TIP3 7000 8.656 -0.561 -1.150 1.00 0.00 WT2 O ATOM 33557 H1 TIP3 7000 -8.169 -3.809 -4.255 1.00 0.00 WT2 H ATOM 33558 H2 TIP3 7000 5.879 -23.611 15.580 1.00 0.00 WT2 H ATOM 33559 OH2 TIP3 7002 4.179 -1.084 -3.338 1.00 0.00 WT2 O ATOM 33560 H1 TIP3 7002 -2.517 -6.375 -25.100 1.00 0.00 WT2 H ATOM 33561 H2 TIP3 7002 -12.707 20.016 1.804 1.00 0.00 WT2 H ATOM 33562 OH2 TIP3 7015 -6.119 2.152 3.047 1.00 0.00 WT2 O ATOM 33563 H1 TIP3 7015 0.614 -4.797 19.620 1.00 0.00 WT2 H ATOM 33564 H2 TIP3 7015 -2.014 -5.971 14.982 1.00 0.00 WT2 H ATOM 33565 OH2 TIP3 7017 1.622 -12.015 5.051 1.00 0.00 WT2 O ATOM 33566 H1 TIP3 7017 -5.093 -6.874 -4.923 1.00 0.00 WT2 H ATOM 33567 H2 TIP3 7017 -14.975 -21.509 2.101 1.00 0.00 WT2 H ATOM 33568 OH2 TIP3 7018 -2.912 -1.115 0.505 1.00 0.00 WT2 O ATOM 33569 H1 TIP3 7018 -8.744 0.222 -22.074 1.00 0.00 WT2 H ATOM 33570 H2 TIP3 7018 -8.485 -23.018 -1.727 1.00 0.00 WT2 H ATOM 33571 OH2 TIP3 7019 -3.073 3.066 -0.516 1.00 0.00 WT2 O ATOM 33572 H1 TIP3 7019 5.615 -8.607 3.499 1.00 0.00 WT2 H ATOM 33573 H2 TIP3 7019 20.206 -3.952 -0.449 1.00 0.00 WT2 H ATOM 33574 OH2 TIP3 7020 6.831 7.775 -1.213 1.00 0.00 WT2 O ATOM 33575 H1 TIP3 7020 16.257 1.527 -0.537 1.00 0.00 WT2 H ATOM 33576 H2 TIP3 7020 14.151 13.839 -16.262 1.00 0.00 WT2 H ATOM 33577 OH2 TIP3 7021 -3.094 -2.752 3.096 1.00 0.00 WT2 O ATOM 33578 H1 TIP3 7021 -7.864 -6.785 -1.561 1.00 0.00 WT2 H ATOM 33579 H2 TIP3 7021 -2.968 2.109 -3.317 1.00 0.00 WT2 H ATOM 33580 OH2 TIP3 7023 -0.660 -2.918 -1.059 1.00 0.00 WT2 O ATOM 33581 H1 TIP3 7023 -0.773 13.669 -3.787 1.00 0.00 WT2 H ATOM 33582 H2 TIP3 7023 14.119 -5.121 -11.586 1.00 0.00 WT2 H ATOM 33583 OH2 TIP3 7024 1.134 0.944 0.399 1.00 0.00 WT2 O ATOM 33584 H1 TIP3 7024 -29.229 1.847 -3.968 1.00 0.00 WT2 H ATOM 33585 H2 TIP3 7024 6.129 2.013 -4.323 1.00 0.00 WT2 H ATOM 33586 OH2 TIP3 7035 9.631 10.564 -1.907 1.00 0.00 WT2 O ATOM 33587 H1 TIP3 7035 7.486 0.657 -21.622 1.00 0.00 WT2 H ATOM 33588 H2 TIP3 7035 16.600 26.520 -41.447 1.00 0.00 WT2 H ATOM 33589 OH2 TIP3 7038 -3.707 3.169 3.810 1.00 0.00 WT2 O ATOM 33590 H1 TIP3 7038 13.532 8.923 5.514 1.00 0.00 WT2 H ATOM 33591 H2 TIP3 7038 -14.378 1.426 8.849 1.00 0.00 WT2 H ATOM 33592 OH2 TIP3 7040 -2.959 -0.480 1.737 1.00 0.00 WT2 O ATOM 33593 H1 TIP3 7040 1.798 -2.433 -0.596 1.00 0.00 WT2 H ATOM 33594 H2 TIP3 7040 -2.771 -4.518 -1.803 1.00 0.00 WT2 H ATOM 33595 OH2 TIP3 7041 -0.728 -5.923 5.505 1.00 0.00 WT2 O ATOM 33596 H1 TIP3 7041 -2.390 -7.800 -12.812 1.00 0.00 WT2 H ATOM 33597 H2 TIP3 7041 17.931 -5.970 10.123 1.00 0.00 WT2 H ATOM 33598 OH2 TIP3 7042 1.460 -1.262 1.417 1.00 0.00 WT2 O ATOM 33599 H1 TIP3 7042 11.246 6.042 7.963 1.00 0.00 WT2 H ATOM 33600 H2 TIP3 7042 -6.361 -10.327 -9.311 1.00 0.00 WT2 H ATOM 33601 OH2 TIP3 7043 0.191 4.116 2.188 1.00 0.00 WT2 O ATOM 33602 H1 TIP3 7043 -1.387 11.021 -7.316 1.00 0.00 WT2 H ATOM 33603 H2 TIP3 7043 -10.205 -22.874 8.348 1.00 0.00 WT2 H ATOM 33604 OH2 TIP3 7044 -4.238 -2.284 -2.853 1.00 0.00 WT2 O ATOM 33605 H1 TIP3 7044 11.171 3.803 -3.969 1.00 0.00 WT2 H ATOM 33606 H2 TIP3 7044 -8.640 8.874 -6.852 1.00 0.00 WT2 H ATOM 33607 OH2 TIP3 7052 1.983 0.264 -5.524 1.00 0.00 WT2 O ATOM 33608 H1 TIP3 7052 -10.570 4.402 -12.925 1.00 0.00 WT2 H ATOM 33609 H2 TIP3 7052 0.346 -6.554 -1.049 1.00 0.00 WT2 H ATOM 33610 OH2 TIP3 7058 0.308 0.045 4.638 1.00 0.00 WT2 O ATOM 33611 H1 TIP3 7058 -20.594 1.116 -1.050 1.00 0.00 WT2 H ATOM 33612 H2 TIP3 7058 -18.372 20.921 -5.915 1.00 0.00 WT2 H ATOM 33613 OH2 TIP3 7059 -0.261 -7.676 -2.529 1.00 0.00 WT2 O ATOM 33614 H1 TIP3 7059 11.879 -1.081 1.773 1.00 0.00 WT2 H ATOM 33615 H2 TIP3 7059 4.208 1.122 -0.642 1.00 0.00 WT2 H ATOM 33616 OH2 TIP3 7061 1.252 2.480 3.438 1.00 0.00 WT2 O ATOM 33617 H1 TIP3 7061 -3.626 -25.288 -14.235 1.00 0.00 WT2 H ATOM 33618 H2 TIP3 7061 5.212 14.167 8.496 1.00 0.00 WT2 H ATOM 33619 OH2 TIP3 7062 2.135 0.341 3.505 1.00 0.00 WT2 O ATOM 33620 H1 TIP3 7062 -6.546 4.494 1.959 1.00 0.00 WT2 H ATOM 33621 H2 TIP3 7062 6.586 -4.017 12.366 1.00 0.00 WT2 H ATOM 33622 OH2 TIP3 7063 2.281 -1.970 6.960 1.00 0.00 WT2 O ATOM 33623 H1 TIP3 7063 4.710 -11.448 7.783 1.00 0.00 WT2 H ATOM 33624 H2 TIP3 7063 6.899 -6.191 20.344 1.00 0.00 WT2 H ATOM 33625 OH2 TIP3 7064 5.990 -2.158 -0.808 1.00 0.00 WT2 O ATOM 33626 H1 TIP3 7064 12.516 5.154 -5.750 1.00 0.00 WT2 H ATOM 33627 H2 TIP3 7064 -5.312 15.966 -3.254 1.00 0.00 WT2 H ATOM 33628 OH2 TIP3 7065 -3.744 -0.715 1.447 1.00 0.00 WT2 O ATOM 33629 H1 TIP3 7065 -16.555 -10.489 -22.853 1.00 0.00 WT2 H ATOM 33630 H2 TIP3 7065 -3.808 11.400 -14.348 1.00 0.00 WT2 H ATOM 33631 OH2 TIP3 7066 -1.825 -0.941 -4.725 1.00 0.00 WT2 O ATOM 33632 H1 TIP3 7066 -25.043 -2.534 -14.545 1.00 0.00 WT2 H ATOM 33633 H2 TIP3 7066 10.032 22.631 -6.879 1.00 0.00 WT2 H ATOM 33634 OH2 TIP3 7076 10.602 0.152 6.887 1.00 0.00 WT2 O ATOM 33635 H1 TIP3 7076 -0.540 5.769 6.026 1.00 0.00 WT2 H ATOM 33636 H2 TIP3 7076 21.558 -9.136 -6.919 1.00 0.00 WT2 H ATOM 33637 OH2 TIP3 7078 0.941 1.409 2.016 1.00 0.00 WT2 O ATOM 33638 H1 TIP3 7078 3.724 -13.074 3.101 1.00 0.00 WT2 H ATOM 33639 H2 TIP3 7078 1.501 6.055 1.918 1.00 0.00 WT2 H ATOM 33640 OH2 TIP3 7081 -3.333 -3.805 0.078 1.00 0.00 WT2 O ATOM 33641 H1 TIP3 7081 -6.510 -21.940 -10.342 1.00 0.00 WT2 H ATOM 33642 H2 TIP3 7081 14.321 -11.710 -5.600 1.00 0.00 WT2 H ATOM 33643 OH2 TIP3 7100 -0.540 3.587 1.466 1.00 0.00 WT2 O ATOM 33644 H1 TIP3 7100 5.477 25.049 -6.601 1.00 0.00 WT2 H ATOM 33645 H2 TIP3 7100 15.196 16.580 2.836 1.00 0.00 WT2 H ATOM 33646 OH2 TIP3 7101 -0.586 -2.962 -2.246 1.00 0.00 WT2 O ATOM 33647 H1 TIP3 7101 -10.574 18.282 -9.746 1.00 0.00 WT2 H ATOM 33648 H2 TIP3 7101 17.076 0.366 -7.993 1.00 0.00 WT2 H ATOM 33649 OH2 TIP3 7102 -2.247 4.187 5.137 1.00 0.00 WT2 O ATOM 33650 H1 TIP3 7102 2.638 -10.860 15.068 1.00 0.00 WT2 H ATOM 33651 H2 TIP3 7102 -4.811 23.761 -1.246 1.00 0.00 WT2 H ATOM 33652 OH2 TIP3 7104 2.676 -1.985 -5.406 1.00 0.00 WT2 O ATOM 33653 H1 TIP3 7104 1.832 -2.860 -9.977 1.00 0.00 WT2 H ATOM 33654 H2 TIP3 7104 10.868 -12.194 -24.106 1.00 0.00 WT2 H ATOM 33655 OH2 TIP3 7107 -1.393 2.987 4.583 1.00 0.00 WT2 O ATOM 33656 H1 TIP3 7107 14.925 18.212 12.226 1.00 0.00 WT2 H ATOM 33657 H2 TIP3 7107 0.015 3.142 6.482 1.00 0.00 WT2 H ATOM 33658 OH2 TIP3 7120 1.897 -8.191 1.071 1.00 0.00 WT2 O ATOM 33659 H1 TIP3 7120 12.013 -1.709 6.777 1.00 0.00 WT2 H ATOM 33660 H2 TIP3 7120 -26.074 -33.835 -21.508 1.00 0.00 WT2 H ATOM 33661 OH2 TIP3 7121 0.012 -6.158 -1.334 1.00 0.00 WT2 O ATOM 33662 H1 TIP3 7121 -5.831 -7.559 4.548 1.00 0.00 WT2 H ATOM 33663 H2 TIP3 7121 19.138 -2.545 -18.557 1.00 0.00 WT2 H ATOM 33664 OH2 TIP3 7122 3.777 4.897 0.326 1.00 0.00 WT2 O ATOM 33665 H1 TIP3 7122 -10.065 1.123 -0.148 1.00 0.00 WT2 H ATOM 33666 H2 TIP3 7122 10.809 15.439 0.736 1.00 0.00 WT2 H ATOM 33667 OH2 TIP3 7123 -0.654 3.048 -0.486 1.00 0.00 WT2 O ATOM 33668 H1 TIP3 7123 6.763 0.574 6.738 1.00 0.00 WT2 H ATOM 33669 H2 TIP3 7123 1.766 -7.100 3.885 1.00 0.00 WT2 H ATOM 33670 OH2 TIP3 7124 1.510 -7.072 2.341 1.00 0.00 WT2 O ATOM 33671 H1 TIP3 7124 4.235 6.521 21.879 1.00 0.00 WT2 H ATOM 33672 H2 TIP3 7124 -11.851 -5.846 -4.146 1.00 0.00 WT2 H ATOM 33673 OH2 TIP3 7125 7.374 -5.275 -1.895 1.00 0.00 WT2 O ATOM 33674 H1 TIP3 7125 4.384 9.442 21.704 1.00 0.00 WT2 H ATOM 33675 H2 TIP3 7125 -2.009 1.246 11.990 1.00 0.00 WT2 H ATOM 33676 OH2 TIP3 7128 -4.807 3.385 -2.705 1.00 0.00 WT2 O ATOM 33677 H1 TIP3 7128 -1.685 4.406 5.099 1.00 0.00 WT2 H ATOM 33678 H2 TIP3 7128 0.459 4.613 6.642 1.00 0.00 WT2 H ATOM 33679 OH2 TIP3 7141 -2.621 2.499 0.885 1.00 0.00 WT2 O ATOM 33680 H1 TIP3 7141 -12.389 2.685 -5.057 1.00 0.00 WT2 H ATOM 33681 H2 TIP3 7141 16.109 0.904 28.452 1.00 0.00 WT2 H ATOM 33682 OH2 TIP3 7142 -0.832 -7.967 -1.606 1.00 0.00 WT2 O ATOM 33683 H1 TIP3 7142 -5.595 13.260 8.562 1.00 0.00 WT2 H ATOM 33684 H2 TIP3 7142 -12.861 7.270 -7.368 1.00 0.00 WT2 H ATOM 33685 OH2 TIP3 7143 -9.369 2.343 2.323 1.00 0.00 WT2 O ATOM 33686 H1 TIP3 7143 10.210 14.006 -2.403 1.00 0.00 WT2 H ATOM 33687 H2 TIP3 7143 10.128 -2.198 -0.479 1.00 0.00 WT2 H ATOM 33688 OH2 TIP3 7144 -5.264 -6.510 1.711 1.00 0.00 WT2 O ATOM 33689 H1 TIP3 7144 14.870 14.896 -5.155 1.00 0.00 WT2 H ATOM 33690 H2 TIP3 7144 -21.194 -4.827 -10.860 1.00 0.00 WT2 H ATOM 33691 OH2 TIP3 7145 2.795 -4.498 2.491 1.00 0.00 WT2 O ATOM 33692 H1 TIP3 7145 20.794 -15.935 -5.119 1.00 0.00 WT2 H ATOM 33693 H2 TIP3 7145 -11.409 5.142 8.932 1.00 0.00 WT2 H ATOM 33694 OH2 TIP3 7146 -7.913 0.672 -3.459 1.00 0.00 WT2 O ATOM 33695 H1 TIP3 7146 -37.715 5.854 17.919 1.00 0.00 WT2 H ATOM 33696 H2 TIP3 7146 -7.348 -1.826 -8.342 1.00 0.00 WT2 H ATOM 33697 OH2 TIP3 7147 -6.958 5.024 -0.203 1.00 0.00 WT2 O ATOM 33698 H1 TIP3 7147 -14.288 11.187 -18.146 1.00 0.00 WT2 H ATOM 33699 H2 TIP3 7147 -4.789 14.304 5.851 1.00 0.00 WT2 H ATOM 33700 OH2 TIP3 7148 -0.552 2.354 -2.072 1.00 0.00 WT2 O ATOM 33701 H1 TIP3 7148 -14.725 -0.093 -5.602 1.00 0.00 WT2 H ATOM 33702 H2 TIP3 7148 3.130 2.941 -2.100 1.00 0.00 WT2 H ATOM 33703 OH2 TIP3 7161 7.147 -4.030 1.581 1.00 0.00 WT2 O ATOM 33704 H1 TIP3 7161 9.598 -8.360 7.792 1.00 0.00 WT2 H ATOM 33705 H2 TIP3 7161 0.334 1.965 -11.131 1.00 0.00 WT2 H ATOM 33706 OH2 TIP3 7166 3.172 2.992 1.695 1.00 0.00 WT2 O ATOM 33707 H1 TIP3 7166 -17.550 4.456 1.910 1.00 0.00 WT2 H ATOM 33708 H2 TIP3 7166 4.448 -18.382 0.181 1.00 0.00 WT2 H ATOM 33709 OH2 TIP3 7179 3.006 2.794 -0.662 1.00 0.00 WT2 O ATOM 33710 H1 TIP3 7179 6.696 6.136 -8.152 1.00 0.00 WT2 H ATOM 33711 H2 TIP3 7179 17.239 2.181 12.484 1.00 0.00 WT2 H ATOM 33712 OH2 TIP3 7181 -1.214 3.253 -2.486 1.00 0.00 WT2 O ATOM 33713 H1 TIP3 7181 -16.427 -4.597 -17.189 1.00 0.00 WT2 H ATOM 33714 H2 TIP3 7181 13.560 15.144 -15.391 1.00 0.00 WT2 H ATOM 33715 OH2 TIP3 7182 0.965 1.629 -3.700 1.00 0.00 WT2 O ATOM 33716 H1 TIP3 7182 -29.095 -2.861 0.546 1.00 0.00 WT2 H ATOM 33717 H2 TIP3 7182 -0.907 -2.183 5.188 1.00 0.00 WT2 H ATOM 33718 OH2 TIP3 7183 6.012 -1.313 -1.818 1.00 0.00 WT2 O ATOM 33719 H1 TIP3 7183 -13.722 3.992 -1.036 1.00 0.00 WT2 H ATOM 33720 H2 TIP3 7183 14.238 15.308 26.983 1.00 0.00 WT2 H ATOM 33721 OH2 TIP3 7184 3.999 -4.702 2.301 1.00 0.00 WT2 O ATOM 33722 H1 TIP3 7184 5.065 -19.118 3.352 1.00 0.00 WT2 H ATOM 33723 H2 TIP3 7184 2.466 3.820 -0.850 1.00 0.00 WT2 H ATOM 33724 OH2 TIP3 7185 7.024 0.453 3.919 1.00 0.00 WT2 O ATOM 33725 H1 TIP3 7185 15.189 -28.735 12.095 1.00 0.00 WT2 H ATOM 33726 H2 TIP3 7185 2.543 -11.506 8.993 1.00 0.00 WT2 H ATOM 33727 OH2 TIP3 7186 4.518 -10.184 3.078 1.00 0.00 WT2 O ATOM 33728 H1 TIP3 7186 35.905 8.609 8.069 1.00 0.00 WT2 H ATOM 33729 H2 TIP3 7186 -15.708 -9.533 1.325 1.00 0.00 WT2 H ATOM 33730 OH2 TIP3 7187 -3.619 3.538 -2.904 1.00 0.00 WT2 O ATOM 33731 H1 TIP3 7187 2.668 7.276 -16.116 1.00 0.00 WT2 H ATOM 33732 H2 TIP3 7187 1.248 -11.051 -0.678 1.00 0.00 WT2 H ATOM 33733 OH2 TIP3 7188 1.041 -4.944 3.243 1.00 0.00 WT2 O ATOM 33734 H1 TIP3 7188 11.822 -0.790 -21.145 1.00 0.00 WT2 H ATOM 33735 H2 TIP3 7188 6.620 -1.817 11.495 1.00 0.00 WT2 H ATOM 33736 OH2 TIP3 7189 0.317 1.946 1.976 1.00 0.00 WT2 O ATOM 33737 H1 TIP3 7189 -4.665 0.640 1.068 1.00 0.00 WT2 H ATOM 33738 H2 TIP3 7189 6.668 9.681 10.059 1.00 0.00 WT2 H ATOM 33739 OH2 TIP3 7200 4.010 -1.837 1.843 1.00 0.00 WT2 O ATOM 33740 H1 TIP3 7200 -0.365 28.785 0.037 1.00 0.00 WT2 H ATOM 33741 H2 TIP3 7200 7.248 -0.177 1.911 1.00 0.00 WT2 H ATOM 33742 OH2 TIP3 7203 -2.801 1.319 -0.523 1.00 0.00 WT2 O ATOM 33743 H1 TIP3 7203 -4.844 3.803 -2.046 1.00 0.00 WT2 H ATOM 33744 H2 TIP3 7203 -0.311 -5.541 2.784 1.00 0.00 WT2 H ATOM 33745 OH2 TIP3 7206 -0.524 -0.469 4.058 1.00 0.00 WT2 O ATOM 33746 H1 TIP3 7206 0.557 7.509 30.966 1.00 0.00 WT2 H ATOM 33747 H2 TIP3 7206 -5.324 6.757 13.865 1.00 0.00 WT2 H ATOM 33748 OH2 TIP3 7207 6.866 1.078 8.080 1.00 0.00 WT2 O ATOM 33749 H1 TIP3 7207 3.583 -16.312 4.018 1.00 0.00 WT2 H ATOM 33750 H2 TIP3 7207 13.087 7.540 -14.169 1.00 0.00 WT2 H ATOM 33751 OH2 TIP3 7210 10.075 -8.962 6.258 1.00 0.00 WT2 O ATOM 33752 H1 TIP3 7210 19.354 -5.187 21.631 1.00 0.00 WT2 H ATOM 33753 H2 TIP3 7210 -13.355 -8.060 3.702 1.00 0.00 WT2 H ATOM 33754 OH2 TIP3 7211 -0.528 2.239 -0.197 1.00 0.00 WT2 O ATOM 33755 H1 TIP3 7211 5.942 29.799 -0.287 1.00 0.00 WT2 H ATOM 33756 H2 TIP3 7211 -6.461 1.388 30.074 1.00 0.00 WT2 H ATOM 33757 OH2 TIP3 7212 4.300 -8.791 0.884 1.00 0.00 WT2 O ATOM 33758 H1 TIP3 7212 -3.067 -13.565 -3.756 1.00 0.00 WT2 H ATOM 33759 H2 TIP3 7212 18.510 2.974 4.990 1.00 0.00 WT2 H ATOM 33760 OH2 TIP3 7213 3.950 2.498 -8.656 1.00 0.00 WT2 O ATOM 33761 H1 TIP3 7213 -7.361 -0.375 8.963 1.00 0.00 WT2 H ATOM 33762 H2 TIP3 7213 -3.580 3.349 3.857 1.00 0.00 WT2 H ATOM 33763 OH2 TIP3 7222 5.027 -0.914 0.307 1.00 0.00 WT2 O ATOM 33764 H1 TIP3 7222 18.854 -7.200 -7.446 1.00 0.00 WT2 H ATOM 33765 H2 TIP3 7222 -16.035 15.573 17.855 1.00 0.00 WT2 H ATOM 33766 OH2 TIP3 7226 -2.361 -1.750 1.690 1.00 0.00 WT2 O ATOM 33767 H1 TIP3 7226 -27.270 2.381 15.248 1.00 0.00 WT2 H ATOM 33768 H2 TIP3 7226 18.248 -6.685 -5.719 1.00 0.00 WT2 H ATOM 33769 OH2 TIP3 7227 -4.361 -3.621 2.234 1.00 0.00 WT2 O ATOM 33770 H1 TIP3 7227 -1.617 -1.089 6.342 1.00 0.00 WT2 H ATOM 33771 H2 TIP3 7227 -1.143 -3.292 -1.114 1.00 0.00 WT2 H ATOM 33772 OH2 TIP3 7228 -11.925 -0.771 -3.329 1.00 0.00 WT2 O ATOM 33773 H1 TIP3 7228 -12.219 -3.720 -3.748 1.00 0.00 WT2 H ATOM 33774 H2 TIP3 7228 -10.438 -3.516 -2.917 1.00 0.00 WT2 H ATOM 33775 OH2 TIP3 7229 -2.552 -0.701 -8.069 1.00 0.00 WT2 O ATOM 33776 H1 TIP3 7229 -14.221 15.152 -2.963 1.00 0.00 WT2 H ATOM 33777 H2 TIP3 7229 -3.093 6.559 -5.369 1.00 0.00 WT2 H ATOM 33778 OH2 TIP3 7230 -3.418 -3.440 1.781 1.00 0.00 WT2 O ATOM 33779 H1 TIP3 7230 -4.593 -1.019 8.695 1.00 0.00 WT2 H ATOM 33780 H2 TIP3 7230 -10.131 -6.341 -0.969 1.00 0.00 WT2 H ATOM 33781 OH2 TIP3 7246 0.260 5.012 -4.438 1.00 0.00 WT2 O ATOM 33782 H1 TIP3 7246 -6.302 5.554 -3.921 1.00 0.00 WT2 H ATOM 33783 H2 TIP3 7246 -7.117 12.641 -12.629 1.00 0.00 WT2 H ATOM 33784 OH2 TIP3 7247 -1.339 1.443 1.449 1.00 0.00 WT2 O ATOM 33785 H1 TIP3 7247 -4.156 4.879 11.831 1.00 0.00 WT2 H ATOM 33786 H2 TIP3 7247 -14.483 5.264 -5.080 1.00 0.00 WT2 H ATOM 33787 OH2 TIP3 7248 -2.346 0.057 14.507 1.00 0.00 WT2 O ATOM 33788 H1 TIP3 7248 -8.992 2.174 10.396 1.00 0.00 WT2 H ATOM 33789 H2 TIP3 7248 -1.047 18.290 26.747 1.00 0.00 WT2 H ATOM 33790 OH2 TIP3 7249 -0.189 -0.816 5.040 1.00 0.00 WT2 O ATOM 33791 H1 TIP3 7249 -3.215 9.088 14.834 1.00 0.00 WT2 H ATOM 33792 H2 TIP3 7249 -13.627 3.964 -0.171 1.00 0.00 WT2 H ATOM 33793 OH2 TIP3 7250 -2.391 -2.379 0.251 1.00 0.00 WT2 O ATOM 33794 H1 TIP3 7250 26.246 21.743 0.238 1.00 0.00 WT2 H ATOM 33795 H2 TIP3 7250 17.977 14.959 0.065 1.00 0.00 WT2 H ATOM 33796 OH2 TIP3 7251 -6.000 2.867 -2.485 1.00 0.00 WT2 O ATOM 33797 H1 TIP3 7251 -5.369 8.099 8.770 1.00 0.00 WT2 H ATOM 33798 H2 TIP3 7251 -3.271 9.549 2.357 1.00 0.00 WT2 H ATOM 33799 OH2 TIP3 7253 -7.805 -0.724 -0.351 1.00 0.00 WT2 O ATOM 33800 H1 TIP3 7253 -7.184 21.821 -16.889 1.00 0.00 WT2 H ATOM 33801 H2 TIP3 7253 -11.114 0.532 8.872 1.00 0.00 WT2 H ATOM 33802 OH2 TIP3 7254 -2.495 -1.129 -1.028 1.00 0.00 WT2 O ATOM 33803 H1 TIP3 7254 -3.345 -5.935 0.858 1.00 0.00 WT2 H ATOM 33804 H2 TIP3 7254 -6.143 -15.999 11.481 1.00 0.00 WT2 H ATOM 33805 OH2 TIP3 7264 -0.206 -0.262 0.921 1.00 0.00 WT2 O ATOM 33806 H1 TIP3 7264 -4.377 10.914 7.538 1.00 0.00 WT2 H ATOM 33807 H2 TIP3 7264 -3.753 -2.288 3.778 1.00 0.00 WT2 H ATOM 33808 OH2 TIP3 7267 -1.696 0.779 1.577 1.00 0.00 WT2 O ATOM 33809 H1 TIP3 7267 -1.808 -7.698 5.121 1.00 0.00 WT2 H ATOM 33810 H2 TIP3 7267 -1.989 -3.836 5.904 1.00 0.00 WT2 H ATOM 33811 OH2 TIP3 7268 -1.194 1.143 -1.241 1.00 0.00 WT2 O ATOM 33812 H1 TIP3 7268 1.869 5.276 -14.100 1.00 0.00 WT2 H ATOM 33813 H2 TIP3 7268 0.693 -0.270 3.630 1.00 0.00 WT2 H ATOM 33814 OH2 TIP3 7269 2.744 -5.657 -0.210 1.00 0.00 WT2 O ATOM 33815 H1 TIP3 7269 22.708 19.728 9.968 1.00 0.00 WT2 H ATOM 33816 H2 TIP3 7269 17.738 -5.023 -1.264 1.00 0.00 WT2 H ATOM 33817 OH2 TIP3 7270 -3.286 1.881 3.187 1.00 0.00 WT2 O ATOM 33818 H1 TIP3 7270 -2.281 -3.404 16.368 1.00 0.00 WT2 H ATOM 33819 H2 TIP3 7270 -0.134 3.727 -5.671 1.00 0.00 WT2 H ATOM 33820 OH2 TIP3 7271 8.305 2.764 4.331 1.00 0.00 WT2 O ATOM 33821 H1 TIP3 7271 6.240 -0.361 8.128 1.00 0.00 WT2 H ATOM 33822 H2 TIP3 7271 0.476 -6.013 -4.807 1.00 0.00 WT2 H ATOM 33823 OH2 TIP3 7272 4.907 -0.905 0.542 1.00 0.00 WT2 O ATOM 33824 H1 TIP3 7272 3.382 -2.550 -5.358 1.00 0.00 WT2 H ATOM 33825 H2 TIP3 7272 6.178 -1.012 5.344 1.00 0.00 WT2 H ATOM 33826 OH2 TIP3 7273 -5.174 -2.381 -1.859 1.00 0.00 WT2 O ATOM 33827 H1 TIP3 7273 5.888 -0.620 4.994 1.00 0.00 WT2 H ATOM 33828 H2 TIP3 7273 10.315 3.790 -34.375 1.00 0.00 WT2 H ATOM 33829 OH2 TIP3 7276 3.528 -2.855 -4.242 1.00 0.00 WT2 O ATOM 33830 H1 TIP3 7276 8.744 2.896 -12.907 1.00 0.00 WT2 H ATOM 33831 H2 TIP3 7276 2.094 -17.671 -26.999 1.00 0.00 WT2 H ATOM 33832 OH2 TIP3 7287 -3.650 -3.792 0.619 1.00 0.00 WT2 O ATOM 33833 H1 TIP3 7287 7.222 -4.167 6.031 1.00 0.00 WT2 H ATOM 33834 H2 TIP3 7287 9.782 -14.195 14.036 1.00 0.00 WT2 H ATOM 33835 OH2 TIP3 7291 4.286 -2.740 -2.048 1.00 0.00 WT2 O ATOM 33836 H1 TIP3 7291 -27.152 0.796 9.161 1.00 0.00 WT2 H ATOM 33837 H2 TIP3 7291 2.665 -9.639 10.506 1.00 0.00 WT2 H ATOM 33838 OH2 TIP3 7293 1.949 6.685 -7.519 1.00 0.00 WT2 O ATOM 33839 H1 TIP3 7293 -3.674 2.334 4.449 1.00 0.00 WT2 H ATOM 33840 H2 TIP3 7293 8.353 -5.680 9.797 1.00 0.00 WT2 H ATOM 33841 OH2 TIP3 7294 2.453 3.602 -0.383 1.00 0.00 WT2 O ATOM 33842 H1 TIP3 7294 16.247 24.126 11.413 1.00 0.00 WT2 H ATOM 33843 H2 TIP3 7294 19.417 17.427 -6.583 1.00 0.00 WT2 H ATOM 33844 OH2 TIP3 7297 -3.392 -0.716 0.403 1.00 0.00 WT2 O ATOM 33845 H1 TIP3 7297 -3.457 23.233 -2.642 1.00 0.00 WT2 H ATOM 33846 H2 TIP3 7297 0.421 0.612 2.991 1.00 0.00 WT2 H ATOM 33847 OH2 TIP3 7307 0.770 -6.244 -5.416 1.00 0.00 WT2 O ATOM 33848 H1 TIP3 7307 11.582 -22.396 20.087 1.00 0.00 WT2 H ATOM 33849 H2 TIP3 7307 -3.216 6.857 -1.342 1.00 0.00 WT2 H ATOM 33850 OH2 TIP3 7310 -0.010 -1.694 -5.881 1.00 0.00 WT2 O ATOM 33851 H1 TIP3 7310 -8.023 -4.508 7.337 1.00 0.00 WT2 H ATOM 33852 H2 TIP3 7310 -12.593 -2.545 7.084 1.00 0.00 WT2 H ATOM 33853 OH2 TIP3 7311 1.530 0.273 2.490 1.00 0.00 WT2 O ATOM 33854 H1 TIP3 7311 -1.763 -4.561 6.948 1.00 0.00 WT2 H ATOM 33855 H2 TIP3 7311 3.507 2.654 11.162 1.00 0.00 WT2 H ATOM 33856 OH2 TIP3 7312 -2.248 0.447 3.937 1.00 0.00 WT2 O ATOM 33857 H1 TIP3 7312 -16.381 -11.216 -5.682 1.00 0.00 WT2 H ATOM 33858 H2 TIP3 7312 3.964 -13.730 9.937 1.00 0.00 WT2 H ATOM 33859 OH2 TIP3 7313 -3.506 -5.461 -1.798 1.00 0.00 WT2 O ATOM 33860 H1 TIP3 7313 -0.185 -8.773 24.101 1.00 0.00 WT2 H ATOM 33861 H2 TIP3 7313 -9.010 23.863 -3.972 1.00 0.00 WT2 H ATOM 33862 OH2 TIP3 7314 1.944 0.779 -3.657 1.00 0.00 WT2 O ATOM 33863 H1 TIP3 7314 -12.829 12.788 14.577 1.00 0.00 WT2 H ATOM 33864 H2 TIP3 7314 27.325 8.517 5.950 1.00 0.00 WT2 H ATOM 33865 OH2 TIP3 7315 -1.328 0.591 1.265 1.00 0.00 WT2 O ATOM 33866 H1 TIP3 7315 -0.569 1.996 -1.635 1.00 0.00 WT2 H ATOM 33867 H2 TIP3 7315 -6.474 -6.512 1.255 1.00 0.00 WT2 H ATOM 33868 OH2 TIP3 7328 4.309 5.365 2.396 1.00 0.00 WT2 O ATOM 33869 H1 TIP3 7328 10.148 21.036 -18.511 1.00 0.00 WT2 H ATOM 33870 H2 TIP3 7328 -22.866 30.992 15.448 1.00 0.00 WT2 H ATOM 33871 OH2 TIP3 7331 4.410 4.435 2.205 1.00 0.00 WT2 O ATOM 33872 H1 TIP3 7331 -5.851 8.974 13.552 1.00 0.00 WT2 H ATOM 33873 H2 TIP3 7331 12.428 1.712 -4.708 1.00 0.00 WT2 H ATOM 33874 OH2 TIP3 7333 -3.420 -1.052 3.587 1.00 0.00 WT2 O ATOM 33875 H1 TIP3 7333 -7.395 2.613 5.110 1.00 0.00 WT2 H ATOM 33876 H2 TIP3 7333 5.672 -8.033 -1.730 1.00 0.00 WT2 H ATOM 33877 OH2 TIP3 7334 -1.116 -3.943 -4.715 1.00 0.00 WT2 O ATOM 33878 H1 TIP3 7334 6.339 12.052 -11.853 1.00 0.00 WT2 H ATOM 33879 H2 TIP3 7334 9.006 0.125 -14.759 1.00 0.00 WT2 H ATOM 33880 OH2 TIP3 7335 3.830 -2.614 2.117 1.00 0.00 WT2 O ATOM 33881 H1 TIP3 7335 2.824 -4.093 -6.196 1.00 0.00 WT2 H ATOM 33882 H2 TIP3 7335 12.911 1.339 8.584 1.00 0.00 WT2 H ATOM 33883 OH2 TIP3 7336 1.360 5.724 -0.689 1.00 0.00 WT2 O ATOM 33884 H1 TIP3 7336 1.804 3.965 -7.544 1.00 0.00 WT2 H ATOM 33885 H2 TIP3 7336 19.167 -0.384 8.801 1.00 0.00 WT2 H ATOM 33886 OH2 TIP3 7339 -1.716 -5.486 -0.058 1.00 0.00 WT2 O ATOM 33887 H1 TIP3 7339 30.845 -4.657 11.334 1.00 0.00 WT2 H ATOM 33888 H2 TIP3 7339 -3.008 2.101 21.619 1.00 0.00 WT2 H ATOM 33889 OH2 TIP3 7351 -0.397 -0.254 4.395 1.00 0.00 WT2 O ATOM 33890 H1 TIP3 7351 -2.839 15.090 3.692 1.00 0.00 WT2 H ATOM 33891 H2 TIP3 7351 3.890 -1.429 -1.932 1.00 0.00 WT2 H ATOM 33892 OH2 TIP3 7352 3.165 -1.831 3.825 1.00 0.00 WT2 O ATOM 33893 H1 TIP3 7352 19.567 -9.076 7.257 1.00 0.00 WT2 H ATOM 33894 H2 TIP3 7352 -20.962 10.796 -0.940 1.00 0.00 WT2 H ATOM 33895 OH2 TIP3 7353 -4.599 -0.636 -3.557 1.00 0.00 WT2 O ATOM 33896 H1 TIP3 7353 11.643 8.821 0.419 1.00 0.00 WT2 H ATOM 33897 H2 TIP3 7353 -0.759 -12.061 -16.802 1.00 0.00 WT2 H ATOM 33898 OH2 TIP3 7354 0.953 2.315 0.305 1.00 0.00 WT2 O ATOM 33899 H1 TIP3 7354 -10.022 -12.695 24.710 1.00 0.00 WT2 H ATOM 33900 H2 TIP3 7354 4.240 6.608 -16.740 1.00 0.00 WT2 H ATOM 33901 OH2 TIP3 7355 -4.941 0.282 -4.021 1.00 0.00 WT2 O ATOM 33902 H1 TIP3 7355 -12.959 4.204 -3.641 1.00 0.00 WT2 H ATOM 33903 H2 TIP3 7355 -5.278 1.326 -4.454 1.00 0.00 WT2 H ATOM 33904 OH2 TIP3 7356 -5.423 -2.026 -1.477 1.00 0.00 WT2 O ATOM 33905 H1 TIP3 7356 -22.464 4.354 -14.362 1.00 0.00 WT2 H ATOM 33906 H2 TIP3 7356 -10.598 7.011 18.538 1.00 0.00 WT2 H ATOM 33907 OH2 TIP3 7357 0.995 -4.680 -1.299 1.00 0.00 WT2 O ATOM 33908 H1 TIP3 7357 -5.210 -12.023 24.448 1.00 0.00 WT2 H ATOM 33909 H2 TIP3 7357 -8.400 8.694 -16.721 1.00 0.00 WT2 H ATOM 33910 OH2 TIP3 7359 -7.720 4.855 2.623 1.00 0.00 WT2 O ATOM 33911 H1 TIP3 7359 13.073 23.564 15.094 1.00 0.00 WT2 H ATOM 33912 H2 TIP3 7359 -23.440 -6.051 28.046 1.00 0.00 WT2 H ATOM 33913 OH2 TIP3 7370 4.990 -7.736 -1.617 1.00 0.00 WT2 O ATOM 33914 H1 TIP3 7370 -8.541 -11.503 -0.225 1.00 0.00 WT2 H ATOM 33915 H2 TIP3 7370 19.432 -7.797 -16.304 1.00 0.00 WT2 H ATOM 33916 OH2 TIP3 7371 0.004 -2.664 -1.729 1.00 0.00 WT2 O ATOM 33917 H1 TIP3 7371 -5.620 5.454 22.137 1.00 0.00 WT2 H ATOM 33918 H2 TIP3 7371 23.459 -3.081 -9.212 1.00 0.00 WT2 H ATOM 33919 OH2 TIP3 7374 1.966 2.152 1.294 1.00 0.00 WT2 O ATOM 33920 H1 TIP3 7374 -1.952 1.369 1.475 1.00 0.00 WT2 H ATOM 33921 H2 TIP3 7374 -9.429 -1.122 3.736 1.00 0.00 WT2 H ATOM 33922 OH2 TIP3 7376 4.687 -2.275 1.080 1.00 0.00 WT2 O ATOM 33923 H1 TIP3 7376 -8.103 -7.744 -1.966 1.00 0.00 WT2 H ATOM 33924 H2 TIP3 7376 11.125 0.053 -0.069 1.00 0.00 WT2 H ATOM 33925 OH2 TIP3 7378 -5.164 2.221 3.308 1.00 0.00 WT2 O ATOM 33926 H1 TIP3 7378 -9.807 17.147 5.127 1.00 0.00 WT2 H ATOM 33927 H2 TIP3 7378 -3.691 -9.430 2.397 1.00 0.00 WT2 H ATOM 33928 OH2 TIP3 7379 -7.618 0.730 1.277 1.00 0.00 WT2 O ATOM 33929 H1 TIP3 7379 -8.729 1.505 3.370 1.00 0.00 WT2 H ATOM 33930 H2 TIP3 7379 2.383 2.091 -7.595 1.00 0.00 WT2 H ATOM 33931 OH2 TIP3 7380 5.904 -6.689 3.702 1.00 0.00 WT2 O ATOM 33932 H1 TIP3 7380 6.851 -14.275 -3.687 1.00 0.00 WT2 H ATOM 33933 H2 TIP3 7380 3.150 5.688 23.501 1.00 0.00 WT2 H ATOM 33934 OH2 TIP3 7382 -3.753 -0.134 -1.720 1.00 0.00 WT2 O ATOM 33935 H1 TIP3 7382 6.277 -1.450 1.296 1.00 0.00 WT2 H ATOM 33936 H2 TIP3 7382 -16.442 0.510 -12.808 1.00 0.00 WT2 H ATOM 33937 OH2 TIP3 7393 3.047 -2.689 2.452 1.00 0.00 WT2 O ATOM 33938 H1 TIP3 7393 -2.649 -8.739 8.027 1.00 0.00 WT2 H ATOM 33939 H2 TIP3 7393 10.396 2.339 -5.971 1.00 0.00 WT2 H ATOM 33940 OH2 TIP3 7394 -5.613 -2.667 -2.887 1.00 0.00 WT2 O ATOM 33941 H1 TIP3 7394 -2.535 -0.207 0.615 1.00 0.00 WT2 H ATOM 33942 H2 TIP3 7394 -12.438 -7.317 44.936 1.00 0.00 WT2 H ATOM 33943 OH2 TIP3 7395 -3.877 -5.344 2.288 1.00 0.00 WT2 O ATOM 33944 H1 TIP3 7395 2.611 30.860 2.770 1.00 0.00 WT2 H ATOM 33945 H2 TIP3 7395 4.028 -7.820 -15.142 1.00 0.00 WT2 H ATOM 33946 OH2 TIP3 7396 -2.056 -2.645 -4.296 1.00 0.00 WT2 O ATOM 33947 H1 TIP3 7396 -22.646 10.804 21.384 1.00 0.00 WT2 H ATOM 33948 H2 TIP3 7396 -4.715 8.319 -5.256 1.00 0.00 WT2 H ATOM 33949 OH2 TIP3 7397 -1.357 0.026 -1.448 1.00 0.00 WT2 O ATOM 33950 H1 TIP3 7397 19.563 0.980 0.097 1.00 0.00 WT2 H ATOM 33951 H2 TIP3 7397 30.797 -13.388 -3.778 1.00 0.00 WT2 H ATOM 33952 OH2 TIP3 7398 -2.869 -0.301 4.296 1.00 0.00 WT2 O ATOM 33953 H1 TIP3 7398 -10.555 15.584 -0.582 1.00 0.00 WT2 H ATOM 33954 H2 TIP3 7398 -13.379 -7.928 0.137 1.00 0.00 WT2 H ATOM 33955 OH2 TIP3 7399 0.413 5.336 -3.572 1.00 0.00 WT2 O ATOM 33956 H1 TIP3 7399 -15.630 9.640 -3.600 1.00 0.00 WT2 H ATOM 33957 H2 TIP3 7399 17.433 0.784 -5.660 1.00 0.00 WT2 H ATOM 33958 OH2 TIP3 7400 -1.251 -1.244 -0.514 1.00 0.00 WT2 O ATOM 33959 H1 TIP3 7400 -3.709 10.171 12.056 1.00 0.00 WT2 H ATOM 33960 H2 TIP3 7400 -1.043 8.711 3.430 1.00 0.00 WT2 H ATOM 33961 OH2 TIP3 7415 -4.288 3.981 0.772 1.00 0.00 WT2 O ATOM 33962 H1 TIP3 7415 -11.605 2.478 -8.570 1.00 0.00 WT2 H ATOM 33963 H2 TIP3 7415 -8.671 -14.469 11.228 1.00 0.00 WT2 H ATOM 33964 OH2 TIP3 7416 3.695 3.480 7.627 1.00 0.00 WT2 O ATOM 33965 H1 TIP3 7416 11.202 -2.858 -8.974 1.00 0.00 WT2 H ATOM 33966 H2 TIP3 7416 3.382 -11.459 -5.230 1.00 0.00 WT2 H ATOM 33967 OH2 TIP3 7418 -1.885 1.656 -0.896 1.00 0.00 WT2 O ATOM 33968 H1 TIP3 7418 -24.958 6.637 -3.827 1.00 0.00 WT2 H ATOM 33969 H2 TIP3 7418 16.870 -3.222 -5.362 1.00 0.00 WT2 H ATOM 33970 OH2 TIP3 7419 -0.836 0.216 -6.224 1.00 0.00 WT2 O ATOM 33971 H1 TIP3 7419 -18.277 -12.159 7.452 1.00 0.00 WT2 H ATOM 33972 H2 TIP3 7419 21.511 -24.716 5.686 1.00 0.00 WT2 H ATOM 33973 OH2 TIP3 7420 5.511 -3.506 1.255 1.00 0.00 WT2 O ATOM 33974 H1 TIP3 7420 -0.528 0.493 -0.310 1.00 0.00 WT2 H ATOM 33975 H2 TIP3 7420 -4.947 -9.619 -0.275 1.00 0.00 WT2 H ATOM 33976 OH2 TIP3 7421 3.582 2.411 3.063 1.00 0.00 WT2 O ATOM 33977 H1 TIP3 7421 -23.598 -6.997 -14.007 1.00 0.00 WT2 H ATOM 33978 H2 TIP3 7421 14.228 23.359 29.974 1.00 0.00 WT2 H ATOM 33979 OH2 TIP3 7422 0.333 -0.638 3.056 1.00 0.00 WT2 O ATOM 33980 H1 TIP3 7422 1.409 -7.166 -8.467 1.00 0.00 WT2 H ATOM 33981 H2 TIP3 7422 -1.782 10.602 -0.418 1.00 0.00 WT2 H ATOM 33982 OH2 TIP3 7434 0.472 -2.414 -2.284 1.00 0.00 WT2 O ATOM 33983 H1 TIP3 7434 -18.803 1.090 -11.529 1.00 0.00 WT2 H ATOM 33984 H2 TIP3 7434 -13.646 9.450 -5.436 1.00 0.00 WT2 H ATOM 33985 OH2 TIP3 7435 3.717 1.121 -0.953 1.00 0.00 WT2 O ATOM 33986 H1 TIP3 7435 7.764 2.966 1.635 1.00 0.00 WT2 H ATOM 33987 H2 TIP3 7435 -5.622 9.416 -4.930 1.00 0.00 WT2 H ATOM 33988 OH2 TIP3 7437 2.387 -1.660 -0.935 1.00 0.00 WT2 O ATOM 33989 H1 TIP3 7437 4.323 -4.814 -9.725 1.00 0.00 WT2 H ATOM 33990 H2 TIP3 7437 -5.632 -1.690 13.986 1.00 0.00 WT2 H ATOM 33991 OH2 TIP3 7438 4.842 -3.243 -3.767 1.00 0.00 WT2 O ATOM 33992 H1 TIP3 7438 2.559 -15.032 20.137 1.00 0.00 WT2 H ATOM 33993 H2 TIP3 7438 14.581 -1.531 -15.722 1.00 0.00 WT2 H ATOM 33994 OH2 TIP3 7439 -5.173 -2.707 1.342 1.00 0.00 WT2 O ATOM 33995 H1 TIP3 7439 -10.408 -2.372 -18.254 1.00 0.00 WT2 H ATOM 33996 H2 TIP3 7439 -3.959 -2.081 8.294 1.00 0.00 WT2 H ATOM 33997 OH2 TIP3 7440 3.355 -8.790 -3.952 1.00 0.00 WT2 O ATOM 33998 H1 TIP3 7440 31.656 -5.911 -10.705 1.00 0.00 WT2 H ATOM 33999 H2 TIP3 7440 0.274 15.008 -10.239 1.00 0.00 WT2 H ATOM 34000 OH2 TIP3 7441 5.527 4.282 -1.618 1.00 0.00 WT2 O ATOM 34001 H1 TIP3 7441 -30.816 -13.787 -10.319 1.00 0.00 WT2 H ATOM 34002 H2 TIP3 7441 2.722 -17.396 22.256 1.00 0.00 WT2 H ATOM 34003 OH2 TIP3 7443 -0.097 6.349 2.891 1.00 0.00 WT2 O ATOM 34004 H1 TIP3 7443 1.083 6.451 3.345 1.00 0.00 WT2 H ATOM 34005 H2 TIP3 7443 -1.501 4.379 1.981 1.00 0.00 WT2 H ATOM 34006 OH2 TIP3 7454 -1.652 -4.448 1.170 1.00 0.00 WT2 O ATOM 34007 H1 TIP3 7454 21.235 -14.308 12.488 1.00 0.00 WT2 H ATOM 34008 H2 TIP3 7454 10.345 9.783 -27.058 1.00 0.00 WT2 H ATOM 34009 OH2 TIP3 7455 3.399 1.349 -1.274 1.00 0.00 WT2 O ATOM 34010 H1 TIP3 7455 -1.771 8.010 -16.383 1.00 0.00 WT2 H ATOM 34011 H2 TIP3 7455 16.390 -8.412 13.969 1.00 0.00 WT2 H ATOM 34012 OH2 TIP3 7457 1.894 -4.299 -9.831 1.00 0.00 WT2 O ATOM 34013 H1 TIP3 7457 4.706 9.788 -2.512 1.00 0.00 WT2 H ATOM 34014 H2 TIP3 7457 8.375 -7.873 -8.997 1.00 0.00 WT2 H ATOM 34015 OH2 TIP3 7461 -4.175 -1.538 3.663 1.00 0.00 WT2 O ATOM 34016 H1 TIP3 7461 -3.566 2.966 -14.577 1.00 0.00 WT2 H ATOM 34017 H2 TIP3 7461 0.124 12.683 7.925 1.00 0.00 WT2 H ATOM 34018 OH2 TIP3 7463 5.141 1.874 0.312 1.00 0.00 WT2 O ATOM 34019 H1 TIP3 7463 9.348 -26.618 0.227 1.00 0.00 WT2 H ATOM 34020 H2 TIP3 7463 0.339 0.373 2.436 1.00 0.00 WT2 H ATOM 34021 OH2 TIP3 7475 -3.230 1.267 -1.891 1.00 0.00 WT2 O ATOM 34022 H1 TIP3 7475 -6.818 -3.981 -1.059 1.00 0.00 WT2 H ATOM 34023 H2 TIP3 7475 -0.380 4.744 -2.328 1.00 0.00 WT2 H ATOM 34024 OH2 TIP3 7477 2.705 1.773 3.112 1.00 0.00 WT2 O ATOM 34025 H1 TIP3 7477 0.136 -4.105 -11.928 1.00 0.00 WT2 H ATOM 34026 H2 TIP3 7477 -17.383 -6.147 11.624 1.00 0.00 WT2 H ATOM 34027 OH2 TIP3 7479 -5.738 6.841 5.776 1.00 0.00 WT2 O ATOM 34028 H1 TIP3 7479 -11.018 11.377 6.124 1.00 0.00 WT2 H ATOM 34029 H2 TIP3 7479 -4.403 13.822 -0.554 1.00 0.00 WT2 H ATOM 34030 OH2 TIP3 7480 2.716 3.322 1.674 1.00 0.00 WT2 O ATOM 34031 H1 TIP3 7480 7.689 1.522 4.024 1.00 0.00 WT2 H ATOM 34032 H2 TIP3 7480 -12.337 8.243 2.699 1.00 0.00 WT2 H ATOM 34033 OH2 TIP3 7481 1.559 3.906 0.696 1.00 0.00 WT2 O ATOM 34034 H1 TIP3 7481 -35.957 -3.942 -0.866 1.00 0.00 WT2 H ATOM 34035 H2 TIP3 7481 3.467 15.223 2.896 1.00 0.00 WT2 H ATOM 34036 OH2 TIP3 7489 2.107 2.807 3.850 1.00 0.00 WT2 O ATOM 34037 H1 TIP3 7489 -30.274 -18.280 10.242 1.00 0.00 WT2 H ATOM 34038 H2 TIP3 7489 8.095 -9.978 6.345 1.00 0.00 WT2 H ATOM 34039 OH2 TIP3 7493 -1.483 -3.531 -5.966 1.00 0.00 WT2 O ATOM 34040 H1 TIP3 7493 1.810 -21.728 -4.047 1.00 0.00 WT2 H ATOM 34041 H2 TIP3 7493 -0.306 -10.746 -5.012 1.00 0.00 WT2 H ATOM 34042 OH2 TIP3 7496 -1.538 -8.230 0.256 1.00 0.00 WT2 O ATOM 34043 H1 TIP3 7496 -7.975 14.383 9.776 1.00 0.00 WT2 H ATOM 34044 H2 TIP3 7496 -15.042 -1.695 16.057 1.00 0.00 WT2 H ATOM 34045 OH2 TIP3 7498 -0.756 1.100 2.086 1.00 0.00 WT2 O ATOM 34046 H1 TIP3 7498 2.983 -1.254 19.042 1.00 0.00 WT2 H ATOM 34047 H2 TIP3 7498 6.615 -14.518 -10.998 1.00 0.00 WT2 H ATOM 34048 OH2 TIP3 7499 0.503 2.190 -1.284 1.00 0.00 WT2 O ATOM 34049 H1 TIP3 7499 8.134 7.498 0.981 1.00 0.00 WT2 H ATOM 34050 H2 TIP3 7499 -5.273 0.069 -2.934 1.00 0.00 WT2 H ATOM 34051 OH2 TIP3 7500 -5.347 1.452 0.593 1.00 0.00 WT2 O ATOM 34052 H1 TIP3 7500 -1.456 -0.819 -0.101 1.00 0.00 WT2 H ATOM 34053 H2 TIP3 7500 -28.129 15.988 -19.395 1.00 0.00 WT2 H ATOM 34054 OH2 TIP3 7501 5.113 -3.728 -4.411 1.00 0.00 WT2 O ATOM 34055 H1 TIP3 7501 2.990 -7.712 1.672 1.00 0.00 WT2 H ATOM 34056 H2 TIP3 7501 -0.759 -14.559 -17.858 1.00 0.00 WT2 H ATOM 34057 OH2 TIP3 7502 -5.385 1.505 -0.978 1.00 0.00 WT2 O ATOM 34058 H1 TIP3 7502 5.563 -21.377 -2.764 1.00 0.00 WT2 H ATOM 34059 H2 TIP3 7502 9.601 13.702 11.007 1.00 0.00 WT2 H ATOM 34060 OH2 TIP3 7503 4.920 -4.369 8.719 1.00 0.00 WT2 O ATOM 34061 H1 TIP3 7503 29.278 1.873 6.568 1.00 0.00 WT2 H ATOM 34062 H2 TIP3 7503 -0.917 -12.756 -4.022 1.00 0.00 WT2 H ATOM 34063 OH2 TIP3 7504 7.534 -1.292 5.924 1.00 0.00 WT2 O ATOM 34064 H1 TIP3 7504 13.947 -9.123 9.640 1.00 0.00 WT2 H ATOM 34065 H2 TIP3 7504 5.239 -10.399 -5.786 1.00 0.00 WT2 H ATOM 34066 OH2 TIP3 7510 -6.458 2.511 6.633 1.00 0.00 WT2 O ATOM 34067 H1 TIP3 7510 -5.986 11.906 1.784 1.00 0.00 WT2 H ATOM 34068 H2 TIP3 7510 -6.414 1.054 7.066 1.00 0.00 WT2 H ATOM 34069 OH2 TIP3 7515 -0.422 -5.869 -4.049 1.00 0.00 WT2 O ATOM 34070 H1 TIP3 7515 3.065 5.096 -18.868 1.00 0.00 WT2 H ATOM 34071 H2 TIP3 7515 22.710 -10.253 13.059 1.00 0.00 WT2 H ATOM 34072 OH2 TIP3 7518 -3.491 -3.787 1.139 1.00 0.00 WT2 O ATOM 34073 H1 TIP3 7518 -3.747 -3.751 5.961 1.00 0.00 WT2 H ATOM 34074 H2 TIP3 7518 0.271 6.522 -9.285 1.00 0.00 WT2 H ATOM 34075 OH2 TIP3 7519 1.908 6.078 4.603 1.00 0.00 WT2 O ATOM 34076 H1 TIP3 7519 -13.942 -16.621 -2.543 1.00 0.00 WT2 H ATOM 34077 H2 TIP3 7519 1.658 4.601 -1.439 1.00 0.00 WT2 H ATOM 34078 OH2 TIP3 7521 2.417 7.382 1.869 1.00 0.00 WT2 O ATOM 34079 H1 TIP3 7521 18.695 7.673 39.167 1.00 0.00 WT2 H ATOM 34080 H2 TIP3 7521 -9.143 -30.033 6.130 1.00 0.00 WT2 H ATOM 34081 OH2 TIP3 7522 -0.605 -3.401 1.482 1.00 0.00 WT2 O ATOM 34082 H1 TIP3 7522 -21.165 -6.850 -5.032 1.00 0.00 WT2 H ATOM 34083 H2 TIP3 7522 -9.456 -12.433 23.981 1.00 0.00 WT2 H ATOM 34084 OH2 TIP3 7523 -1.801 7.169 1.292 1.00 0.00 WT2 O ATOM 34085 H1 TIP3 7523 -18.439 -2.845 6.020 1.00 0.00 WT2 H ATOM 34086 H2 TIP3 7523 1.361 6.300 -16.557 1.00 0.00 WT2 H ATOM 34087 OH2 TIP3 7525 3.057 5.864 -3.136 1.00 0.00 WT2 O ATOM 34088 H1 TIP3 7525 0.902 11.585 15.468 1.00 0.00 WT2 H ATOM 34089 H2 TIP3 7525 -8.528 -11.386 -6.908 1.00 0.00 WT2 H ATOM 34090 OH2 TIP3 7526 -3.324 0.617 1.820 1.00 0.00 WT2 O ATOM 34091 H1 TIP3 7526 -15.970 14.188 -21.710 1.00 0.00 WT2 H ATOM 34092 H2 TIP3 7526 0.306 -0.794 3.278 1.00 0.00 WT2 H ATOM 34093 OH2 TIP3 7541 7.581 1.531 -6.081 1.00 0.00 WT2 O ATOM 34094 H1 TIP3 7541 12.839 -18.796 12.932 1.00 0.00 WT2 H ATOM 34095 H2 TIP3 7541 3.051 -11.095 -10.141 1.00 0.00 WT2 H ATOM 34096 OH2 TIP3 7543 3.064 -3.498 -3.008 1.00 0.00 WT2 O ATOM 34097 H1 TIP3 7543 -18.055 6.039 -6.535 1.00 0.00 WT2 H ATOM 34098 H2 TIP3 7543 9.164 -2.125 3.989 1.00 0.00 WT2 H ATOM 34099 OH2 TIP3 7544 3.785 -4.589 -1.100 1.00 0.00 WT2 O ATOM 34100 H1 TIP3 7544 -6.781 -4.044 2.699 1.00 0.00 WT2 H ATOM 34101 H2 TIP3 7544 1.289 0.740 -6.647 1.00 0.00 WT2 H ATOM 34102 OH2 TIP3 7545 -2.661 -2.217 0.031 1.00 0.00 WT2 O ATOM 34103 H1 TIP3 7545 -13.058 -3.052 22.670 1.00 0.00 WT2 H ATOM 34104 H2 TIP3 7545 -10.233 18.263 -5.744 1.00 0.00 WT2 H ATOM 34105 OH2 TIP3 7549 3.542 -2.994 -3.322 1.00 0.00 WT2 O ATOM 34106 H1 TIP3 7549 13.409 -2.973 -3.462 1.00 0.00 WT2 H ATOM 34107 H2 TIP3 7549 -23.360 -4.052 0.864 1.00 0.00 WT2 H ATOM 34108 OH2 TIP3 7559 -6.951 -4.174 -2.445 1.00 0.00 WT2 O ATOM 34109 H1 TIP3 7559 8.433 -22.438 -19.280 1.00 0.00 WT2 H ATOM 34110 H2 TIP3 7559 6.391 -21.126 -16.078 1.00 0.00 WT2 H ATOM 34111 OH2 TIP3 7561 0.859 4.557 -1.567 1.00 0.00 WT2 O ATOM 34112 H1 TIP3 7561 0.306 5.128 7.161 1.00 0.00 WT2 H ATOM 34113 H2 TIP3 7561 1.167 0.172 -2.401 1.00 0.00 WT2 H ATOM 34114 OH2 TIP3 7563 0.305 -1.818 -6.401 1.00 0.00 WT2 O ATOM 34115 H1 TIP3 7563 2.640 4.208 7.159 1.00 0.00 WT2 H ATOM 34116 H2 TIP3 7563 -16.311 11.327 -13.121 1.00 0.00 WT2 H ATOM 34117 OH2 TIP3 7564 2.250 2.177 -3.582 1.00 0.00 WT2 O ATOM 34118 H1 TIP3 7564 6.670 -6.259 -15.694 1.00 0.00 WT2 H ATOM 34119 H2 TIP3 7564 7.046 -2.502 6.475 1.00 0.00 WT2 H ATOM 34120 OH2 TIP3 7565 3.840 0.059 0.824 1.00 0.00 WT2 O ATOM 34121 H1 TIP3 7565 4.866 0.860 0.569 1.00 0.00 WT2 H ATOM 34122 H2 TIP3 7565 1.331 8.201 -0.889 1.00 0.00 WT2 H ATOM 34123 OH2 TIP3 7566 5.357 -3.589 -1.784 1.00 0.00 WT2 O ATOM 34124 H1 TIP3 7566 19.718 -12.385 12.952 1.00 0.00 WT2 H ATOM 34125 H2 TIP3 7566 19.336 -7.816 8.731 1.00 0.00 WT2 H ATOM 34126 OH2 TIP3 7567 1.113 1.599 -5.083 1.00 0.00 WT2 O ATOM 34127 H1 TIP3 7567 13.127 -5.508 11.397 1.00 0.00 WT2 H ATOM 34128 H2 TIP3 7567 -5.999 3.048 -11.169 1.00 0.00 WT2 H ATOM 34129 OH2 TIP3 7582 -8.821 -0.625 -0.677 1.00 0.00 WT2 O ATOM 34130 H1 TIP3 7582 -1.820 -2.355 7.502 1.00 0.00 WT2 H ATOM 34131 H2 TIP3 7582 -2.587 40.446 -3.026 1.00 0.00 WT2 H ATOM 34132 OH2 TIP3 7584 -1.571 3.590 7.401 1.00 0.00 WT2 O ATOM 34133 H1 TIP3 7584 10.773 5.299 18.045 1.00 0.00 WT2 H ATOM 34134 H2 TIP3 7584 -14.292 5.455 15.729 1.00 0.00 WT2 H ATOM 34135 OH2 TIP3 7586 5.572 -4.125 1.598 1.00 0.00 WT2 O ATOM 34136 H1 TIP3 7586 -1.258 1.366 3.845 1.00 0.00 WT2 H ATOM 34137 H2 TIP3 7586 -22.050 17.884 26.596 1.00 0.00 WT2 H ATOM 34138 OH2 TIP3 7587 -1.796 -8.242 -0.699 1.00 0.00 WT2 O ATOM 34139 H1 TIP3 7587 -5.151 10.423 7.960 1.00 0.00 WT2 H ATOM 34140 H2 TIP3 7587 -4.147 4.947 4.879 1.00 0.00 WT2 H ATOM 34141 OH2 TIP3 7594 0.867 6.631 -1.723 1.00 0.00 WT2 O ATOM 34142 H1 TIP3 7594 2.056 3.033 -7.059 1.00 0.00 WT2 H ATOM 34143 H2 TIP3 7594 -8.532 8.642 -0.632 1.00 0.00 WT2 H ATOM 34144 OH2 TIP3 7602 -11.988 5.865 -3.430 1.00 0.00 WT2 O ATOM 34145 H1 TIP3 7602 -20.979 2.045 17.639 1.00 0.00 WT2 H ATOM 34146 H2 TIP3 7602 -5.899 12.019 14.598 1.00 0.00 WT2 H ATOM 34147 OH2 TIP3 7603 -5.234 0.985 -3.148 1.00 0.00 WT2 O ATOM 34148 H1 TIP3 7603 16.168 6.155 -0.811 1.00 0.00 WT2 H ATOM 34149 H2 TIP3 7603 -20.732 -0.284 -2.428 1.00 0.00 WT2 H ATOM 34150 OH2 TIP3 7605 2.681 -2.039 -0.691 1.00 0.00 WT2 O ATOM 34151 H1 TIP3 7605 -7.618 -7.802 2.352 1.00 0.00 WT2 H ATOM 34152 H2 TIP3 7605 10.328 -15.981 -18.507 1.00 0.00 WT2 H ATOM 34153 OH2 TIP3 7608 3.588 -2.200 -0.112 1.00 0.00 WT2 O ATOM 34154 H1 TIP3 7608 1.193 4.593 -4.959 1.00 0.00 WT2 H ATOM 34155 H2 TIP3 7608 7.714 -16.678 10.882 1.00 0.00 WT2 H ATOM 34156 OH2 TIP3 7612 3.288 4.301 6.878 1.00 0.00 WT2 O ATOM 34157 H1 TIP3 7612 13.080 32.007 -18.331 1.00 0.00 WT2 H ATOM 34158 H2 TIP3 7612 2.808 1.203 9.880 1.00 0.00 WT2 H ATOM 34159 OH2 TIP3 7625 0.615 4.348 -2.073 1.00 0.00 WT2 O ATOM 34160 H1 TIP3 7625 1.933 4.654 -1.762 1.00 0.00 WT2 H ATOM 34161 H2 TIP3 7625 10.122 5.964 0.403 1.00 0.00 WT2 H ATOM 34162 OH2 TIP3 7626 3.875 -1.711 7.251 1.00 0.00 WT2 O ATOM 34163 H1 TIP3 7626 9.560 3.622 -7.285 1.00 0.00 WT2 H ATOM 34164 H2 TIP3 7626 35.520 7.442 7.411 1.00 0.00 WT2 H ATOM 34165 OH2 TIP3 7628 -1.817 0.504 -4.591 1.00 0.00 WT2 O ATOM 34166 H1 TIP3 7628 -1.019 -8.186 -11.479 1.00 0.00 WT2 H ATOM 34167 H2 TIP3 7628 -1.006 16.558 10.211 1.00 0.00 WT2 H ATOM 34168 OH2 TIP3 7630 3.696 -2.242 0.766 1.00 0.00 WT2 O ATOM 34169 H1 TIP3 7630 19.742 5.762 -12.909 1.00 0.00 WT2 H ATOM 34170 H2 TIP3 7630 -3.019 -12.734 -13.520 1.00 0.00 WT2 H ATOM 34171 OH2 TIP3 7631 -2.851 -3.981 0.471 1.00 0.00 WT2 O ATOM 34172 H1 TIP3 7631 -11.626 -14.823 -17.317 1.00 0.00 WT2 H ATOM 34173 H2 TIP3 7631 11.041 -18.555 9.922 1.00 0.00 WT2 H ATOM 34174 OH2 TIP3 7643 -4.323 -0.758 -3.728 1.00 0.00 WT2 O ATOM 34175 H1 TIP3 7643 -1.799 1.864 -0.432 1.00 0.00 WT2 H ATOM 34176 H2 TIP3 7643 2.643 8.099 9.047 1.00 0.00 WT2 H ATOM 34177 OH2 TIP3 7644 0.557 1.244 3.502 1.00 0.00 WT2 O ATOM 34178 H1 TIP3 7644 -26.624 2.898 9.401 1.00 0.00 WT2 H ATOM 34179 H2 TIP3 7644 -18.882 3.038 15.000 1.00 0.00 WT2 H ATOM 34180 OH2 TIP3 7645 5.521 4.147 -1.841 1.00 0.00 WT2 O ATOM 34181 H1 TIP3 7645 -4.421 13.274 13.274 1.00 0.00 WT2 H ATOM 34182 H2 TIP3 7645 -1.263 6.375 1.908 1.00 0.00 WT2 H ATOM 34183 OH2 TIP3 7646 -1.868 -2.809 0.032 1.00 0.00 WT2 O ATOM 34184 H1 TIP3 7646 -0.228 -4.008 -11.138 1.00 0.00 WT2 H ATOM 34185 H2 TIP3 7646 -2.776 -4.040 -1.287 1.00 0.00 WT2 H ATOM 34186 OH2 TIP3 7647 6.257 1.664 1.393 1.00 0.00 WT2 O ATOM 34187 H1 TIP3 7647 -20.150 23.937 -5.125 1.00 0.00 WT2 H ATOM 34188 H2 TIP3 7647 -13.228 19.994 13.204 1.00 0.00 WT2 H ATOM 34189 OH2 TIP3 7648 -0.428 4.472 -1.929 1.00 0.00 WT2 O ATOM 34190 H1 TIP3 7648 9.435 7.783 -2.963 1.00 0.00 WT2 H ATOM 34191 H2 TIP3 7648 -0.811 -2.465 -9.377 1.00 0.00 WT2 H ATOM 34192 OH2 TIP3 7649 2.909 -1.315 -4.373 1.00 0.00 WT2 O ATOM 34193 H1 TIP3 7649 -22.875 22.376 5.122 1.00 0.00 WT2 H ATOM 34194 H2 TIP3 7649 0.413 4.582 -2.594 1.00 0.00 WT2 H ATOM 34195 OH2 TIP3 7650 8.578 -0.419 6.683 1.00 0.00 WT2 O ATOM 34196 H1 TIP3 7650 4.834 23.140 -1.739 1.00 0.00 WT2 H ATOM 34197 H2 TIP3 7650 0.026 6.044 1.984 1.00 0.00 WT2 H ATOM 34198 OH2 TIP3 7652 0.705 -5.486 1.848 1.00 0.00 WT2 O ATOM 34199 H1 TIP3 7652 1.220 -8.416 -27.535 1.00 0.00 WT2 H ATOM 34200 H2 TIP3 7652 13.395 20.002 6.916 1.00 0.00 WT2 H ATOM 34201 OH2 TIP3 7653 3.569 -0.494 1.454 1.00 0.00 WT2 O ATOM 34202 H1 TIP3 7653 -5.720 10.324 19.384 1.00 0.00 WT2 H ATOM 34203 H2 TIP3 7653 22.843 -26.343 -1.120 1.00 0.00 WT2 H ATOM 34204 OH2 TIP3 7663 -0.465 2.741 5.073 1.00 0.00 WT2 O ATOM 34205 H1 TIP3 7663 7.291 15.774 7.235 1.00 0.00 WT2 H ATOM 34206 H2 TIP3 7663 -12.407 14.534 8.491 1.00 0.00 WT2 H ATOM 34207 OH2 TIP3 7668 3.930 -1.830 1.403 1.00 0.00 WT2 O ATOM 34208 H1 TIP3 7668 8.310 -0.262 -10.959 1.00 0.00 WT2 H ATOM 34209 H2 TIP3 7668 1.410 -7.559 -11.588 1.00 0.00 WT2 H ATOM 34210 OH2 TIP3 7669 4.699 -1.335 -2.759 1.00 0.00 WT2 O ATOM 34211 H1 TIP3 7669 -1.502 0.332 6.868 1.00 0.00 WT2 H ATOM 34212 H2 TIP3 7669 0.833 -0.931 3.319 1.00 0.00 WT2 H ATOM 34213 OH2 TIP3 7670 6.384 -6.582 -2.269 1.00 0.00 WT2 O ATOM 34214 H1 TIP3 7670 12.937 -2.853 13.208 1.00 0.00 WT2 H ATOM 34215 H2 TIP3 7670 2.759 1.194 19.312 1.00 0.00 WT2 H ATOM 34216 OH2 TIP3 7673 0.172 4.509 -3.131 1.00 0.00 WT2 O ATOM 34217 H1 TIP3 7673 -6.359 -11.662 8.089 1.00 0.00 WT2 H ATOM 34218 H2 TIP3 7673 20.520 -18.978 21.042 1.00 0.00 WT2 H ATOM 34219 OH2 TIP3 7686 0.244 -0.535 -0.910 1.00 0.00 WT2 O ATOM 34220 H1 TIP3 7686 5.913 -8.647 7.816 1.00 0.00 WT2 H ATOM 34221 H2 TIP3 7686 -3.580 -10.593 -7.551 1.00 0.00 WT2 H ATOM 34222 OH2 TIP3 7688 3.406 5.325 1.336 1.00 0.00 WT2 O ATOM 34223 H1 TIP3 7688 -0.976 3.230 11.258 1.00 0.00 WT2 H ATOM 34224 H2 TIP3 7688 2.099 -9.727 -5.058 1.00 0.00 WT2 H ATOM 34225 OH2 TIP3 7689 3.290 1.260 -5.608 1.00 0.00 WT2 O ATOM 34226 H1 TIP3 7689 -12.604 -3.806 6.961 1.00 0.00 WT2 H ATOM 34227 H2 TIP3 7689 22.539 5.437 8.027 1.00 0.00 WT2 H ATOM 34228 OH2 TIP3 7690 1.257 -2.940 -8.302 1.00 0.00 WT2 O ATOM 34229 H1 TIP3 7690 2.885 -3.599 -8.664 1.00 0.00 WT2 H ATOM 34230 H2 TIP3 7690 1.294 -5.818 -4.829 1.00 0.00 WT2 H ATOM 34231 OH2 TIP3 7691 0.703 -1.226 -3.119 1.00 0.00 WT2 O ATOM 34232 H1 TIP3 7691 -6.563 -8.239 -18.620 1.00 0.00 WT2 H ATOM 34233 H2 TIP3 7691 -3.472 -11.674 8.424 1.00 0.00 WT2 H ATOM 34234 OH2 TIP3 7692 0.112 4.428 3.533 1.00 0.00 WT2 O ATOM 34235 H1 TIP3 7692 11.012 4.897 5.113 1.00 0.00 WT2 H ATOM 34236 H2 TIP3 7692 31.706 -12.123 -24.013 1.00 0.00 WT2 H ATOM 34237 OH2 TIP3 7694 3.046 4.817 -6.269 1.00 0.00 WT2 O ATOM 34238 H1 TIP3 7694 1.034 5.266 -11.476 1.00 0.00 WT2 H ATOM 34239 H2 TIP3 7694 7.716 -3.647 18.413 1.00 0.00 WT2 H ATOM 34240 OH2 TIP3 7695 -3.632 6.455 5.276 1.00 0.00 WT2 O ATOM 34241 H1 TIP3 7695 -6.717 19.344 9.538 1.00 0.00 WT2 H ATOM 34242 H2 TIP3 7695 -6.049 -2.196 -1.534 1.00 0.00 WT2 H ATOM 34243 OH2 TIP3 7696 -1.874 0.392 3.027 1.00 0.00 WT2 O ATOM 34244 H1 TIP3 7696 4.633 11.737 -0.777 1.00 0.00 WT2 H ATOM 34245 H2 TIP3 7696 -10.606 -13.847 10.030 1.00 0.00 WT2 H ATOM 34246 OH2 TIP3 7698 1.858 -2.592 1.018 1.00 0.00 WT2 O ATOM 34247 H1 TIP3 7698 21.744 -7.627 -12.044 1.00 0.00 WT2 H ATOM 34248 H2 TIP3 7698 12.397 -11.337 -5.739 1.00 0.00 WT2 H ATOM 34249 OH2 TIP3 7705 -0.602 6.624 -3.085 1.00 0.00 WT2 O ATOM 34250 H1 TIP3 7705 1.107 8.959 -4.429 1.00 0.00 WT2 H ATOM 34251 H2 TIP3 7705 -9.019 8.113 -3.458 1.00 0.00 WT2 H ATOM 34252 OH2 TIP3 7707 8.637 -4.886 1.353 1.00 0.00 WT2 O ATOM 34253 H1 TIP3 7707 -3.461 -10.144 -8.345 1.00 0.00 WT2 H ATOM 34254 H2 TIP3 7707 -0.795 -11.957 13.128 1.00 0.00 WT2 H ATOM 34255 OH2 TIP3 7708 -0.240 -7.060 3.914 1.00 0.00 WT2 O ATOM 34256 H1 TIP3 7708 24.370 7.641 3.905 1.00 0.00 WT2 H ATOM 34257 H2 TIP3 7708 -1.130 -33.101 17.227 1.00 0.00 WT2 H ATOM 34258 OH2 TIP3 7710 7.044 -3.931 -1.149 1.00 0.00 WT2 O ATOM 34259 H1 TIP3 7710 -2.668 -29.428 6.927 1.00 0.00 WT2 H ATOM 34260 H2 TIP3 7710 9.498 6.926 -3.216 1.00 0.00 WT2 H ATOM 34261 OH2 TIP3 7711 -1.973 0.926 6.182 1.00 0.00 WT2 O ATOM 34262 H1 TIP3 7711 -1.645 2.497 6.505 1.00 0.00 WT2 H ATOM 34263 H2 TIP3 7711 -3.543 -15.573 -2.029 1.00 0.00 WT2 H ATOM 34264 OH2 TIP3 7712 1.105 3.918 0.551 1.00 0.00 WT2 O ATOM 34265 H1 TIP3 7712 16.701 -0.063 3.473 1.00 0.00 WT2 H ATOM 34266 H2 TIP3 7712 24.504 7.487 19.542 1.00 0.00 WT2 H ATOM 34267 OH2 TIP3 7713 0.509 4.713 -2.417 1.00 0.00 WT2 O ATOM 34268 H1 TIP3 7713 0.881 6.623 -9.191 1.00 0.00 WT2 H ATOM 34269 H2 TIP3 7713 -3.642 3.851 1.006 1.00 0.00 WT2 H ATOM 34270 OH2 TIP3 7716 1.533 5.030 -7.845 1.00 0.00 WT2 O ATOM 34271 H1 TIP3 7716 -4.122 3.706 2.386 1.00 0.00 WT2 H ATOM 34272 H2 TIP3 7716 6.350 3.234 -13.891 1.00 0.00 WT2 H ATOM 34273 OH2 TIP3 7718 0.038 -5.270 -2.587 1.00 0.00 WT2 O ATOM 34274 H1 TIP3 7718 -2.204 -5.886 19.921 1.00 0.00 WT2 H ATOM 34275 H2 TIP3 7718 6.264 -2.487 0.960 1.00 0.00 WT2 H ATOM 34276 OH2 TIP3 7730 -0.493 3.848 2.926 1.00 0.00 WT2 O ATOM 34277 H1 TIP3 7730 2.148 7.112 1.419 1.00 0.00 WT2 H ATOM 34278 H2 TIP3 7730 -6.073 -8.424 0.744 1.00 0.00 WT2 H ATOM 34279 OH2 TIP3 7731 0.486 -3.543 -2.077 1.00 0.00 WT2 O ATOM 34280 H1 TIP3 7731 4.518 1.163 2.637 1.00 0.00 WT2 H ATOM 34281 H2 TIP3 7731 -4.154 -3.768 -5.282 1.00 0.00 WT2 H ATOM 34282 OH2 TIP3 7734 0.649 4.577 4.393 1.00 0.00 WT2 O ATOM 34283 H1 TIP3 7734 -7.380 10.628 3.196 1.00 0.00 WT2 H ATOM 34284 H2 TIP3 7734 -5.932 10.500 2.352 1.00 0.00 WT2 H ATOM 34285 OH2 TIP3 7735 -6.727 2.752 1.711 1.00 0.00 WT2 O ATOM 34286 H1 TIP3 7735 -5.271 10.707 -6.900 1.00 0.00 WT2 H ATOM 34287 H2 TIP3 7735 -9.707 -15.000 19.195 1.00 0.00 WT2 H ATOM 34288 OH2 TIP3 7736 -2.100 -0.115 -3.103 1.00 0.00 WT2 O ATOM 34289 H1 TIP3 7736 -9.687 -7.515 -9.310 1.00 0.00 WT2 H ATOM 34290 H2 TIP3 7736 -12.243 0.837 -18.029 1.00 0.00 WT2 H ATOM 34291 OH2 TIP3 7737 1.469 -1.755 3.447 1.00 0.00 WT2 O ATOM 34292 H1 TIP3 7737 -16.852 -9.680 9.385 1.00 0.00 WT2 H ATOM 34293 H2 TIP3 7737 -6.512 1.861 -5.665 1.00 0.00 WT2 H ATOM 34294 OH2 TIP3 7748 -0.097 4.563 -3.280 1.00 0.00 WT2 O ATOM 34295 H1 TIP3 7748 16.907 2.172 -12.434 1.00 0.00 WT2 H ATOM 34296 H2 TIP3 7748 -25.600 -3.926 -18.607 1.00 0.00 WT2 H ATOM 34297 OH2 TIP3 7750 6.935 5.166 -1.068 1.00 0.00 WT2 O ATOM 34298 H1 TIP3 7750 0.585 -2.555 3.547 1.00 0.00 WT2 H ATOM 34299 H2 TIP3 7750 -7.618 -9.882 12.221 1.00 0.00 WT2 H ATOM 34300 OH2 TIP3 7751 -5.449 0.226 4.849 1.00 0.00 WT2 O ATOM 34301 H1 TIP3 7751 -13.278 2.170 -5.429 1.00 0.00 WT2 H ATOM 34302 H2 TIP3 7751 -6.498 -8.627 13.418 1.00 0.00 WT2 H ATOM 34303 OH2 TIP3 7752 -2.971 -0.798 -2.386 1.00 0.00 WT2 O ATOM 34304 H1 TIP3 7752 -0.796 4.278 -18.607 1.00 0.00 WT2 H ATOM 34305 H2 TIP3 7752 -12.738 8.779 2.737 1.00 0.00 WT2 H ATOM 34306 OH2 TIP3 7753 -9.643 5.637 2.724 1.00 0.00 WT2 O ATOM 34307 H1 TIP3 7753 -0.356 -9.238 6.660 1.00 0.00 WT2 H ATOM 34308 H2 TIP3 7753 -7.447 14.847 4.551 1.00 0.00 WT2 H ATOM 34309 OH2 TIP3 7754 2.692 -1.402 -0.593 1.00 0.00 WT2 O ATOM 34310 H1 TIP3 7754 -2.422 1.354 14.736 1.00 0.00 WT2 H ATOM 34311 H2 TIP3 7754 4.217 -13.755 -0.673 1.00 0.00 WT2 H ATOM 34312 OH2 TIP3 7755 9.965 -4.718 2.403 1.00 0.00 WT2 O ATOM 34313 H1 TIP3 7755 20.596 -5.927 -4.038 1.00 0.00 WT2 H ATOM 34314 H2 TIP3 7755 -13.496 -0.846 18.525 1.00 0.00 WT2 H ATOM 34315 OH2 TIP3 7757 -1.481 2.129 -0.624 1.00 0.00 WT2 O ATOM 34316 H1 TIP3 7757 9.599 -9.743 -1.586 1.00 0.00 WT2 H ATOM 34317 H2 TIP3 7757 -9.744 -9.692 3.500 1.00 0.00 WT2 H ATOM 34318 OH2 TIP3 7772 3.959 6.404 1.068 1.00 0.00 WT2 O ATOM 34319 H1 TIP3 7772 20.255 -11.101 10.016 1.00 0.00 WT2 H ATOM 34320 H2 TIP3 7772 -2.817 18.596 -3.679 1.00 0.00 WT2 H ATOM 34321 OH2 TIP3 7773 -2.407 0.700 -3.368 1.00 0.00 WT2 O ATOM 34322 H1 TIP3 7773 10.661 2.523 -0.084 1.00 0.00 WT2 H ATOM 34323 H2 TIP3 7773 6.702 -12.503 -24.715 1.00 0.00 WT2 H ATOM 34324 OH2 TIP3 7774 5.706 0.084 1.084 1.00 0.00 WT2 O ATOM 34325 H1 TIP3 7774 14.471 -18.257 -13.131 1.00 0.00 WT2 H ATOM 34326 H2 TIP3 7774 4.408 4.027 3.934 1.00 0.00 WT2 H ATOM 34327 OH2 TIP3 7776 -2.943 1.648 -2.732 1.00 0.00 WT2 O ATOM 34328 H1 TIP3 7776 -6.934 9.707 8.791 1.00 0.00 WT2 H ATOM 34329 H2 TIP3 7776 4.351 -3.389 12.081 1.00 0.00 WT2 H ATOM 34330 OH2 TIP3 7780 3.056 -1.145 5.908 1.00 0.00 WT2 O ATOM 34331 H1 TIP3 7780 3.882 -0.721 4.200 1.00 0.00 WT2 H ATOM 34332 H2 TIP3 7780 1.695 -6.104 13.635 1.00 0.00 WT2 H ATOM 34333 OH2 TIP3 7791 5.699 -2.909 7.788 1.00 0.00 WT2 O ATOM 34334 H1 TIP3 7791 2.656 12.879 0.034 1.00 0.00 WT2 H ATOM 34335 H2 TIP3 7791 3.810 15.145 -0.624 1.00 0.00 WT2 H ATOM 34336 OH2 TIP3 7793 3.332 -4.314 2.210 1.00 0.00 WT2 O ATOM 34337 H1 TIP3 7793 18.666 12.279 5.573 1.00 0.00 WT2 H ATOM 34338 H2 TIP3 7793 14.422 10.602 -0.665 1.00 0.00 WT2 H ATOM 34339 OH2 TIP3 7795 1.900 -2.884 -2.205 1.00 0.00 WT2 O ATOM 34340 H1 TIP3 7795 -2.615 -18.555 13.989 1.00 0.00 WT2 H ATOM 34341 H2 TIP3 7795 -0.306 -6.215 2.953 1.00 0.00 WT2 H ATOM 34342 OH2 TIP3 7796 1.009 1.817 -6.900 1.00 0.00 WT2 O ATOM 34343 H1 TIP3 7796 -6.317 -12.052 -2.249 1.00 0.00 WT2 H ATOM 34344 H2 TIP3 7796 -8.932 -25.404 -1.369 1.00 0.00 WT2 H ATOM 34345 OH2 TIP3 7797 6.164 -1.672 0.146 1.00 0.00 WT2 O ATOM 34346 H1 TIP3 7797 29.317 8.674 3.552 1.00 0.00 WT2 H ATOM 34347 H2 TIP3 7797 2.103 -5.651 11.898 1.00 0.00 WT2 H ATOM 34348 OH2 TIP3 7798 2.497 2.168 1.206 1.00 0.00 WT2 O ATOM 34349 H1 TIP3 7798 5.271 -11.876 4.029 1.00 0.00 WT2 H ATOM 34350 H2 TIP3 7798 1.850 -0.750 2.139 1.00 0.00 WT2 H ATOM 34351 OH2 TIP3 7799 0.252 -4.161 0.846 1.00 0.00 WT2 O ATOM 34352 H1 TIP3 7799 6.838 -15.598 4.517 1.00 0.00 WT2 H ATOM 34353 H2 TIP3 7799 -5.192 1.161 -2.300 1.00 0.00 WT2 H ATOM 34354 OH2 TIP3 7806 2.083 -1.504 -6.034 1.00 0.00 WT2 O ATOM 34355 H1 TIP3 7806 -8.656 -0.515 5.155 1.00 0.00 WT2 H ATOM 34356 H2 TIP3 7806 -4.153 20.278 -15.526 1.00 0.00 WT2 H ATOM 34357 OH2 TIP3 7811 6.601 1.154 -1.983 1.00 0.00 WT2 O ATOM 34358 H1 TIP3 7811 -11.104 -12.692 11.904 1.00 0.00 WT2 H ATOM 34359 H2 TIP3 7811 11.190 0.583 5.939 1.00 0.00 WT2 H ATOM 34360 OH2 TIP3 7813 2.280 4.167 8.353 1.00 0.00 WT2 O ATOM 34361 H1 TIP3 7813 -11.119 -2.036 -0.379 1.00 0.00 WT2 H ATOM 34362 H2 TIP3 7813 43.283 6.500 -0.227 1.00 0.00 WT2 H ATOM 34363 OH2 TIP3 7815 2.947 1.909 6.130 1.00 0.00 WT2 O ATOM 34364 H1 TIP3 7815 10.174 -6.720 -20.310 1.00 0.00 WT2 H ATOM 34365 H2 TIP3 7815 -10.278 17.040 15.140 1.00 0.00 WT2 H ATOM 34366 OH2 TIP3 7816 -5.142 -2.222 1.448 1.00 0.00 WT2 O ATOM 34367 H1 TIP3 7816 9.413 10.924 7.774 1.00 0.00 WT2 H ATOM 34368 H2 TIP3 7816 -11.688 -1.036 -3.648 1.00 0.00 WT2 H ATOM 34369 OH2 TIP3 7817 1.609 1.797 3.859 1.00 0.00 WT2 O ATOM 34370 H1 TIP3 7817 9.489 -6.617 21.882 1.00 0.00 WT2 H ATOM 34371 H2 TIP3 7817 10.367 4.515 -8.967 1.00 0.00 WT2 H ATOM 34372 OH2 TIP3 7818 0.842 1.635 -2.360 1.00 0.00 WT2 O ATOM 34373 H1 TIP3 7818 -3.006 3.861 -1.093 1.00 0.00 WT2 H ATOM 34374 H2 TIP3 7818 -1.208 -12.133 -7.234 1.00 0.00 WT2 H ATOM 34375 OH2 TIP3 7820 -7.425 1.761 1.248 1.00 0.00 WT2 O ATOM 34376 H1 TIP3 7820 14.519 11.098 15.611 1.00 0.00 WT2 H ATOM 34377 H2 TIP3 7820 -19.767 24.855 -7.015 1.00 0.00 WT2 H ATOM 34378 OH2 TIP3 7833 -1.505 -5.077 -0.105 1.00 0.00 WT2 O ATOM 34379 H1 TIP3 7833 -10.826 -6.297 -0.734 1.00 0.00 WT2 H ATOM 34380 H2 TIP3 7833 3.125 -10.131 -6.516 1.00 0.00 WT2 H ATOM 34381 OH2 TIP3 7835 -5.277 -4.531 3.574 1.00 0.00 WT2 O ATOM 34382 H1 TIP3 7835 -2.888 -21.864 -1.400 1.00 0.00 WT2 H ATOM 34383 H2 TIP3 7835 7.775 -8.957 -2.103 1.00 0.00 WT2 H ATOM 34384 OH2 TIP3 7836 1.011 1.561 5.014 1.00 0.00 WT2 O ATOM 34385 H1 TIP3 7836 -11.958 14.241 9.869 1.00 0.00 WT2 H ATOM 34386 H2 TIP3 7836 -9.624 0.407 8.247 1.00 0.00 WT2 H ATOM 34387 OH2 TIP3 7837 0.185 4.462 -9.776 1.00 0.00 WT2 O ATOM 34388 H1 TIP3 7837 36.679 7.664 19.477 1.00 0.00 WT2 H ATOM 34389 H2 TIP3 7837 2.438 -6.123 -0.217 1.00 0.00 WT2 H ATOM 34390 OH2 TIP3 7838 2.121 3.420 -1.924 1.00 0.00 WT2 O ATOM 34391 H1 TIP3 7838 -1.572 -37.987 12.270 1.00 0.00 WT2 H ATOM 34392 H2 TIP3 7838 2.195 2.336 -1.535 1.00 0.00 WT2 H ATOM 34393 OH2 TIP3 7839 -0.188 -1.470 4.904 1.00 0.00 WT2 O ATOM 34394 H1 TIP3 7839 2.926 17.524 2.059 1.00 0.00 WT2 H ATOM 34395 H2 TIP3 7839 -0.648 -2.659 26.266 1.00 0.00 WT2 H ATOM 34396 OH2 TIP3 7840 1.136 -1.396 7.343 1.00 0.00 WT2 O ATOM 34397 H1 TIP3 7840 21.750 22.981 12.625 1.00 0.00 WT2 H ATOM 34398 H2 TIP3 7840 -6.222 -8.814 3.690 1.00 0.00 WT2 H ATOM 34399 OH2 TIP3 7842 1.678 6.840 -2.733 1.00 0.00 WT2 O ATOM 34400 H1 TIP3 7842 6.062 9.573 -7.268 1.00 0.00 WT2 H ATOM 34401 H2 TIP3 7842 0.650 13.550 8.984 1.00 0.00 WT2 H ATOM 34402 OH2 TIP3 7853 1.735 -1.356 -6.017 1.00 0.00 WT2 O ATOM 34403 H1 TIP3 7853 -7.150 -4.900 14.105 1.00 0.00 WT2 H ATOM 34404 H2 TIP3 7853 10.531 4.870 3.088 1.00 0.00 WT2 H ATOM 34405 OH2 TIP3 7854 1.449 1.570 7.830 1.00 0.00 WT2 O ATOM 34406 H1 TIP3 7854 6.614 1.136 10.486 1.00 0.00 WT2 H ATOM 34407 H2 TIP3 7854 -4.421 1.791 -1.804 1.00 0.00 WT2 H ATOM 34408 OH2 TIP3 7856 -0.313 2.229 6.812 1.00 0.00 WT2 O ATOM 34409 H1 TIP3 7856 -5.661 -12.454 -7.097 1.00 0.00 WT2 H ATOM 34410 H2 TIP3 7856 -1.630 3.448 5.857 1.00 0.00 WT2 H ATOM 34411 OH2 TIP3 7858 4.368 3.478 2.006 1.00 0.00 WT2 O ATOM 34412 H1 TIP3 7858 7.107 -0.198 25.500 1.00 0.00 WT2 H ATOM 34413 H2 TIP3 7858 5.931 16.278 11.378 1.00 0.00 WT2 H ATOM 34414 OH2 TIP3 7859 10.369 2.003 5.778 1.00 0.00 WT2 O ATOM 34415 H1 TIP3 7859 -12.864 17.256 -5.050 1.00 0.00 WT2 H ATOM 34416 H2 TIP3 7859 16.574 13.159 14.561 1.00 0.00 WT2 H ATOM 34417 OH2 TIP3 7861 2.326 -1.733 -5.921 1.00 0.00 WT2 O ATOM 34418 H1 TIP3 7861 -16.115 2.310 -10.078 1.00 0.00 WT2 H ATOM 34419 H2 TIP3 7861 -0.022 3.505 -1.349 1.00 0.00 WT2 H ATOM 34420 OH2 TIP3 7864 -1.396 -1.702 2.276 1.00 0.00 WT2 O ATOM 34421 H1 TIP3 7864 4.072 -12.129 20.894 1.00 0.00 WT2 H ATOM 34422 H2 TIP3 7864 13.513 7.617 9.210 1.00 0.00 WT2 H ATOM 34423 OH2 TIP3 7865 -4.260 -4.034 -4.961 1.00 0.00 WT2 O ATOM 34424 H1 TIP3 7865 4.794 2.121 -15.413 1.00 0.00 WT2 H ATOM 34425 H2 TIP3 7865 -6.404 -5.444 2.352 1.00 0.00 WT2 H ATOM 34426 OH2 TIP3 7872 2.964 4.271 -2.085 1.00 0.00 WT2 O ATOM 34427 H1 TIP3 7872 -21.245 -7.997 -28.012 1.00 0.00 WT2 H ATOM 34428 H2 TIP3 7872 11.187 4.177 18.358 1.00 0.00 WT2 H ATOM 34429 OH2 TIP3 7875 0.293 -0.750 0.789 1.00 0.00 WT2 O ATOM 34430 H1 TIP3 7875 -20.831 8.287 -6.785 1.00 0.00 WT2 H ATOM 34431 H2 TIP3 7875 -4.823 -0.954 5.418 1.00 0.00 WT2 H ATOM 34432 OH2 TIP3 7878 -6.307 4.591 6.283 1.00 0.00 WT2 O ATOM 34433 H1 TIP3 7878 -5.153 -3.264 6.601 1.00 0.00 WT2 H ATOM 34434 H2 TIP3 7878 3.029 8.193 17.114 1.00 0.00 WT2 H ATOM 34435 OH2 TIP3 7880 2.808 0.735 -0.096 1.00 0.00 WT2 O ATOM 34436 H1 TIP3 7880 4.896 7.077 0.235 1.00 0.00 WT2 H ATOM 34437 H2 TIP3 7880 6.346 2.356 16.164 1.00 0.00 WT2 H ATOM 34438 OH2 TIP3 7882 -3.699 -1.800 1.758 1.00 0.00 WT2 O ATOM 34439 H1 TIP3 7882 -10.206 -5.426 -11.447 1.00 0.00 WT2 H ATOM 34440 H2 TIP3 7882 -16.253 -15.406 1.227 1.00 0.00 WT2 H ATOM 34441 OH2 TIP3 7884 3.362 6.027 -1.272 1.00 0.00 WT2 O ATOM 34442 H1 TIP3 7884 23.243 8.141 -7.111 1.00 0.00 WT2 H ATOM 34443 H2 TIP3 7884 -8.206 -3.151 21.407 1.00 0.00 WT2 H ATOM 34444 OH2 TIP3 7895 -2.280 10.218 1.535 1.00 0.00 WT2 O ATOM 34445 H1 TIP3 7895 -1.076 11.994 -4.254 1.00 0.00 WT2 H ATOM 34446 H2 TIP3 7895 -5.700 3.160 23.026 1.00 0.00 WT2 H ATOM 34447 OH2 TIP3 7899 0.943 -1.350 4.902 1.00 0.00 WT2 O ATOM 34448 H1 TIP3 7899 4.711 -16.484 9.966 1.00 0.00 WT2 H ATOM 34449 H2 TIP3 7899 17.296 32.584 -20.842 1.00 0.00 WT2 H ATOM 34450 OH2 TIP3 7900 6.451 6.164 1.546 1.00 0.00 WT2 O ATOM 34451 H1 TIP3 7900 0.139 -10.131 -9.416 1.00 0.00 WT2 H ATOM 34452 H2 TIP3 7900 9.920 5.962 -1.008 1.00 0.00 WT2 H ATOM 34453 OH2 TIP3 7905 10.510 -1.582 3.473 1.00 0.00 WT2 O ATOM 34454 H1 TIP3 7905 6.896 10.014 8.297 1.00 0.00 WT2 H ATOM 34455 H2 TIP3 7905 17.937 27.517 18.732 1.00 0.00 WT2 H ATOM 34456 OH2 TIP3 7919 -0.410 4.320 4.263 1.00 0.00 WT2 O ATOM 34457 H1 TIP3 7919 4.594 -1.441 -3.323 1.00 0.00 WT2 H ATOM 34458 H2 TIP3 7919 22.134 -18.762 -23.869 1.00 0.00 WT2 H ATOM 34459 OH2 TIP3 7920 -3.459 5.332 -2.612 1.00 0.00 WT2 O ATOM 34460 H1 TIP3 7920 -2.383 0.052 -8.042 1.00 0.00 WT2 H ATOM 34461 H2 TIP3 7920 0.438 -3.413 -13.270 1.00 0.00 WT2 H ATOM 34462 OH2 TIP3 7921 -6.626 0.020 3.714 1.00 0.00 WT2 O ATOM 34463 H1 TIP3 7921 -11.684 7.357 -0.438 1.00 0.00 WT2 H ATOM 34464 H2 TIP3 7921 -7.979 -10.973 -4.493 1.00 0.00 WT2 H ATOM 34465 OH2 TIP3 7922 -1.845 6.637 -2.895 1.00 0.00 WT2 O ATOM 34466 H1 TIP3 7922 -9.867 -8.183 11.781 1.00 0.00 WT2 H ATOM 34467 H2 TIP3 7922 -2.284 24.711 -14.482 1.00 0.00 WT2 H ATOM 34468 OH2 TIP3 7933 -3.374 1.862 -0.937 1.00 0.00 WT2 O ATOM 34469 H1 TIP3 7933 5.547 -9.499 -19.560 1.00 0.00 WT2 H ATOM 34470 H2 TIP3 7933 2.725 -16.696 -35.327 1.00 0.00 WT2 H ATOM 34471 OH2 TIP3 7938 -2.829 -4.037 -3.132 1.00 0.00 WT2 O ATOM 34472 H1 TIP3 7938 6.359 -33.926 -7.285 1.00 0.00 WT2 H ATOM 34473 H2 TIP3 7938 2.452 -20.586 12.351 1.00 0.00 WT2 H ATOM 34474 OH2 TIP3 7939 -5.550 -0.029 -8.225 1.00 0.00 WT2 O ATOM 34475 H1 TIP3 7939 -3.193 12.743 -13.612 1.00 0.00 WT2 H ATOM 34476 H2 TIP3 7939 21.901 5.666 -20.382 1.00 0.00 WT2 H ATOM 34477 OH2 TIP3 7940 -1.716 -1.794 -0.623 1.00 0.00 WT2 O ATOM 34478 H1 TIP3 7940 11.034 2.659 0.736 1.00 0.00 WT2 H ATOM 34479 H2 TIP3 7940 -16.338 -8.084 -18.227 1.00 0.00 WT2 H ATOM 34480 OH2 TIP3 7941 -0.957 -0.441 -1.917 1.00 0.00 WT2 O ATOM 34481 H1 TIP3 7941 1.701 -0.140 -2.987 1.00 0.00 WT2 H ATOM 34482 H2 TIP3 7941 -2.417 2.082 -1.911 1.00 0.00 WT2 H ATOM 34483 OH2 TIP3 7942 7.058 2.206 -1.846 1.00 0.00 WT2 O ATOM 34484 H1 TIP3 7942 5.754 2.822 -7.519 1.00 0.00 WT2 H ATOM 34485 H2 TIP3 7942 18.725 -1.703 3.034 1.00 0.00 WT2 H ATOM 34486 OH2 TIP3 7944 0.104 4.312 -3.775 1.00 0.00 WT2 O ATOM 34487 H1 TIP3 7944 -6.041 8.255 5.642 1.00 0.00 WT2 H ATOM 34488 H2 TIP3 7944 -11.446 11.265 13.442 1.00 0.00 WT2 H ATOM 34489 OH2 TIP3 7946 -6.397 6.557 -2.279 1.00 0.00 WT2 O ATOM 34490 H1 TIP3 7946 0.549 -5.133 0.412 1.00 0.00 WT2 H ATOM 34491 H2 TIP3 7946 7.954 -5.445 5.937 1.00 0.00 WT2 H ATOM 34492 OH2 TIP3 7947 -2.091 -8.429 -5.484 1.00 0.00 WT2 O ATOM 34493 H1 TIP3 7947 -4.389 -6.925 0.247 1.00 0.00 WT2 H ATOM 34494 H2 TIP3 7947 13.609 4.968 16.169 1.00 0.00 WT2 H ATOM 34495 OH2 TIP3 7949 -7.113 2.614 0.809 1.00 0.00 WT2 O ATOM 34496 H1 TIP3 7949 31.589 21.193 -9.961 1.00 0.00 WT2 H ATOM 34497 H2 TIP3 7949 -4.074 10.886 8.037 1.00 0.00 WT2 H ATOM 34498 OH2 TIP3 7959 1.313 6.094 2.752 1.00 0.00 WT2 O ATOM 34499 H1 TIP3 7959 -6.393 2.214 5.577 1.00 0.00 WT2 H ATOM 34500 H2 TIP3 7959 -1.347 7.790 2.193 1.00 0.00 WT2 H ATOM 34501 OH2 TIP3 7962 -8.229 5.135 -9.551 1.00 0.00 WT2 O ATOM 34502 H1 TIP3 7962 -13.059 -28.084 -0.777 1.00 0.00 WT2 H ATOM 34503 H2 TIP3 7962 -18.026 -7.739 -16.059 1.00 0.00 WT2 H ATOM 34504 OH2 TIP3 7963 -1.694 1.562 3.901 1.00 0.00 WT2 O ATOM 34505 H1 TIP3 7963 -13.022 8.424 14.481 1.00 0.00 WT2 H ATOM 34506 H2 TIP3 7963 1.167 -5.275 0.326 1.00 0.00 WT2 H ATOM 34507 OH2 TIP3 7964 1.236 -2.935 -2.231 1.00 0.00 WT2 O ATOM 34508 H1 TIP3 7964 -22.154 30.896 -0.602 1.00 0.00 WT2 H ATOM 34509 H2 TIP3 7964 14.442 -22.366 -4.196 1.00 0.00 WT2 H ATOM 34510 OH2 TIP3 7965 7.488 1.291 6.219 1.00 0.00 WT2 O ATOM 34511 H1 TIP3 7965 1.358 -1.138 10.718 1.00 0.00 WT2 H ATOM 34512 H2 TIP3 7965 17.745 -3.361 5.888 1.00 0.00 WT2 H ATOM 34513 OH2 TIP3 7967 4.151 -3.697 3.443 1.00 0.00 WT2 O ATOM 34514 H1 TIP3 7967 -12.607 5.052 -8.053 1.00 0.00 WT2 H ATOM 34515 H2 TIP3 7967 -4.135 -0.373 -5.220 1.00 0.00 WT2 H ATOM 34516 OH2 TIP3 7969 -3.049 -1.745 0.081 1.00 0.00 WT2 O ATOM 34517 H1 TIP3 7969 -1.495 0.229 -0.495 1.00 0.00 WT2 H ATOM 34518 H2 TIP3 7969 3.663 -4.852 1.488 1.00 0.00 WT2 H ATOM 34519 OH2 TIP3 7972 3.331 4.754 3.663 1.00 0.00 WT2 O ATOM 34520 H1 TIP3 7972 3.358 -8.458 -6.456 1.00 0.00 WT2 H ATOM 34521 H2 TIP3 7972 -12.088 -31.841 -7.015 1.00 0.00 WT2 H ATOM 34522 OH2 TIP3 7979 6.760 -1.512 -2.175 1.00 0.00 WT2 O ATOM 34523 H1 TIP3 7979 12.662 -5.512 -7.065 1.00 0.00 WT2 H ATOM 34524 H2 TIP3 7979 16.792 -1.797 -0.376 1.00 0.00 WT2 H ATOM 34525 OH2 TIP3 7981 -2.402 2.582 -7.599 1.00 0.00 WT2 O ATOM 34526 H1 TIP3 7981 14.354 -8.271 -3.363 1.00 0.00 WT2 H ATOM 34527 H2 TIP3 7981 -2.795 -14.886 8.505 1.00 0.00 WT2 H ATOM 34528 OH2 TIP3 7983 -0.555 -11.911 3.860 1.00 0.00 WT2 O ATOM 34529 H1 TIP3 7983 -8.004 1.237 23.377 1.00 0.00 WT2 H ATOM 34530 H2 TIP3 7983 5.000 -9.232 -1.497 1.00 0.00 WT2 H ATOM 34531 OH2 TIP3 7984 13.562 -2.268 6.563 1.00 0.00 WT2 O ATOM 34532 H1 TIP3 7984 -6.381 -15.683 16.445 1.00 0.00 WT2 H ATOM 34533 H2 TIP3 7984 9.598 -18.458 -4.864 1.00 0.00 WT2 H ATOM 34534 OH2 TIP3 7985 -0.725 -1.579 1.228 1.00 0.00 WT2 O ATOM 34535 H1 TIP3 7985 2.135 -5.695 -3.065 1.00 0.00 WT2 H ATOM 34536 H2 TIP3 7985 -5.933 1.437 7.284 1.00 0.00 WT2 H ATOM 34537 OH2 TIP3 7986 0.942 1.370 4.597 1.00 0.00 WT2 O ATOM 34538 H1 TIP3 7986 5.327 -8.692 17.664 1.00 0.00 WT2 H ATOM 34539 H2 TIP3 7986 5.343 16.543 -21.881 1.00 0.00 WT2 H ATOM 34540 OH2 TIP3 7987 -5.313 -3.716 2.177 1.00 0.00 WT2 O ATOM 34541 H1 TIP3 7987 2.211 11.156 3.432 1.00 0.00 WT2 H ATOM 34542 H2 TIP3 7987 22.189 17.268 5.456 1.00 0.00 WT2 H ATOM 34543 OH2 TIP3 8003 2.991 4.698 8.940 1.00 0.00 WT2 O ATOM 34544 H1 TIP3 8003 -24.858 11.981 22.311 1.00 0.00 WT2 H ATOM 34545 H2 TIP3 8003 12.628 2.631 9.617 1.00 0.00 WT2 H ATOM 34546 OH2 TIP3 8004 -10.711 1.481 -1.671 1.00 0.00 WT2 O ATOM 34547 H1 TIP3 8004 -6.268 10.425 15.962 1.00 0.00 WT2 H ATOM 34548 H2 TIP3 8004 -13.156 28.040 4.659 1.00 0.00 WT2 H ATOM 34549 OH2 TIP3 8005 -0.403 -0.939 3.701 1.00 0.00 WT2 O ATOM 34550 H1 TIP3 8005 -0.814 -3.247 -20.076 1.00 0.00 WT2 H ATOM 34551 H2 TIP3 8005 -2.475 4.688 -5.159 1.00 0.00 WT2 H ATOM 34552 OH2 TIP3 8007 -1.427 1.214 5.734 1.00 0.00 WT2 O ATOM 34553 H1 TIP3 8007 6.853 7.366 19.126 1.00 0.00 WT2 H ATOM 34554 H2 TIP3 8007 -18.303 18.201 12.874 1.00 0.00 WT2 H ATOM 34555 OH2 TIP3 8012 2.696 -2.487 1.493 1.00 0.00 WT2 O ATOM 34556 H1 TIP3 8012 -21.543 17.616 -4.357 1.00 0.00 WT2 H ATOM 34557 H2 TIP3 8012 19.060 3.170 15.155 1.00 0.00 WT2 H ATOM 34558 OH2 TIP3 8020 -4.057 3.017 -6.808 1.00 0.00 WT2 O ATOM 34559 H1 TIP3 8020 4.176 28.052 -11.740 1.00 0.00 WT2 H ATOM 34560 H2 TIP3 8020 7.426 18.055 11.787 1.00 0.00 WT2 H ATOM 34561 OH2 TIP3 8022 -0.121 1.311 4.172 1.00 0.00 WT2 O ATOM 34562 H1 TIP3 8022 3.352 -7.438 -7.780 1.00 0.00 WT2 H ATOM 34563 H2 TIP3 8022 -7.995 -2.661 11.092 1.00 0.00 WT2 H ATOM 34564 OH2 TIP3 8023 0.139 0.271 0.039 1.00 0.00 WT2 O ATOM 34565 H1 TIP3 8023 3.691 -3.865 -7.034 1.00 0.00 WT2 H ATOM 34566 H2 TIP3 8023 1.606 -1.449 -1.772 1.00 0.00 WT2 H ATOM 34567 OH2 TIP3 8024 2.675 0.554 -0.175 1.00 0.00 WT2 O ATOM 34568 H1 TIP3 8024 1.106 -14.453 -6.448 1.00 0.00 WT2 H ATOM 34569 H2 TIP3 8024 1.186 2.421 -2.507 1.00 0.00 WT2 H ATOM 34570 OH2 TIP3 8027 -2.968 -1.033 1.313 1.00 0.00 WT2 O ATOM 34571 H1 TIP3 8027 0.462 -0.023 8.150 1.00 0.00 WT2 H ATOM 34572 H2 TIP3 8027 0.795 1.994 -3.362 1.00 0.00 WT2 H ATOM 34573 OH2 TIP3 8029 -2.317 -11.528 0.828 1.00 0.00 WT2 O ATOM 34574 H1 TIP3 8029 -4.238 6.108 -10.624 1.00 0.00 WT2 H ATOM 34575 H2 TIP3 8029 -20.913 -6.238 4.123 1.00 0.00 WT2 H ATOM 34576 OH2 TIP3 8030 -9.153 5.923 5.407 1.00 0.00 WT2 O ATOM 34577 H1 TIP3 8030 -5.583 7.311 12.972 1.00 0.00 WT2 H ATOM 34578 H2 TIP3 8030 3.107 1.823 -4.656 1.00 0.00 WT2 H ATOM 34579 OH2 TIP3 8040 -0.044 -4.028 1.598 1.00 0.00 WT2 O ATOM 34580 H1 TIP3 8040 -6.357 -1.385 -1.428 1.00 0.00 WT2 H ATOM 34581 H2 TIP3 8040 0.732 -3.895 4.003 1.00 0.00 WT2 H ATOM 34582 OH2 TIP3 8041 -1.988 0.770 -8.706 1.00 0.00 WT2 O ATOM 34583 H1 TIP3 8041 -11.576 -24.696 -12.067 1.00 0.00 WT2 H ATOM 34584 H2 TIP3 8041 -2.293 -4.840 -10.255 1.00 0.00 WT2 H ATOM 34585 OH2 TIP3 8045 2.587 -4.189 3.992 1.00 0.00 WT2 O ATOM 34586 H1 TIP3 8045 15.564 -5.454 10.450 1.00 0.00 WT2 H ATOM 34587 H2 TIP3 8045 -4.373 -4.069 1.212 1.00 0.00 WT2 H ATOM 34588 OH2 TIP3 8046 1.475 0.748 3.526 1.00 0.00 WT2 O ATOM 34589 H1 TIP3 8046 -4.441 5.479 3.269 1.00 0.00 WT2 H ATOM 34590 H2 TIP3 8046 -3.069 4.715 2.846 1.00 0.00 WT2 H ATOM 34591 OH2 TIP3 8047 7.050 4.274 1.661 1.00 0.00 WT2 O ATOM 34592 H1 TIP3 8047 -6.863 10.123 2.298 1.00 0.00 WT2 H ATOM 34593 H2 TIP3 8047 12.567 -5.635 -4.696 1.00 0.00 WT2 H ATOM 34594 OH2 TIP3 8050 -1.863 2.131 -5.444 1.00 0.00 WT2 O ATOM 34595 H1 TIP3 8050 6.842 -0.649 3.839 1.00 0.00 WT2 H ATOM 34596 H2 TIP3 8050 10.926 -3.296 -14.525 1.00 0.00 WT2 H ATOM 34597 OH2 TIP3 8052 3.752 -5.753 6.691 1.00 0.00 WT2 O ATOM 34598 H1 TIP3 8052 6.519 5.039 -3.648 1.00 0.00 WT2 H ATOM 34599 H2 TIP3 8052 -14.614 -6.757 7.905 1.00 0.00 WT2 H ATOM 34600 OH2 TIP3 8063 -1.572 2.452 2.166 1.00 0.00 WT2 O ATOM 34601 H1 TIP3 8063 -8.564 27.538 -11.526 1.00 0.00 WT2 H ATOM 34602 H2 TIP3 8063 -16.141 -12.159 -11.347 1.00 0.00 WT2 H ATOM 34603 OH2 TIP3 8064 0.226 -6.032 -1.328 1.00 0.00 WT2 O ATOM 34604 H1 TIP3 8064 14.110 -23.499 14.983 1.00 0.00 WT2 H ATOM 34605 H2 TIP3 8064 -3.906 13.302 -17.765 1.00 0.00 WT2 H ATOM 34606 OH2 TIP3 8067 -2.686 2.116 -2.072 1.00 0.00 WT2 O ATOM 34607 H1 TIP3 8067 23.593 2.828 8.679 1.00 0.00 WT2 H ATOM 34608 H2 TIP3 8067 20.358 1.904 5.492 1.00 0.00 WT2 H ATOM 34609 OH2 TIP3 8068 4.068 -5.649 -5.521 1.00 0.00 WT2 O ATOM 34610 H1 TIP3 8068 -12.930 1.825 -1.061 1.00 0.00 WT2 H ATOM 34611 H2 TIP3 8068 13.875 -0.561 -6.697 1.00 0.00 WT2 H ATOM 34612 OH2 TIP3 8069 3.505 1.102 -3.181 1.00 0.00 WT2 O ATOM 34613 H1 TIP3 8069 -13.495 -21.136 6.145 1.00 0.00 WT2 H ATOM 34614 H2 TIP3 8069 4.196 20.907 -8.703 1.00 0.00 WT2 H ATOM 34615 OH2 TIP3 8070 3.930 1.706 4.031 1.00 0.00 WT2 O ATOM 34616 H1 TIP3 8070 12.082 -0.596 15.096 1.00 0.00 WT2 H ATOM 34617 H2 TIP3 8070 -9.517 -22.216 7.177 1.00 0.00 WT2 H ATOM 34618 OH2 TIP3 8071 -3.159 5.557 4.242 1.00 0.00 WT2 O ATOM 34619 H1 TIP3 8071 6.674 -0.164 0.738 1.00 0.00 WT2 H ATOM 34620 H2 TIP3 8071 -12.074 -11.234 12.031 1.00 0.00 WT2 H ATOM 34621 OH2 TIP3 8075 10.405 -0.621 5.537 1.00 0.00 WT2 O ATOM 34622 H1 TIP3 8075 -15.514 8.991 -22.134 1.00 0.00 WT2 H ATOM 34623 H2 TIP3 8075 6.917 9.728 -4.528 1.00 0.00 WT2 H ATOM 34624 OH2 TIP3 8084 -1.891 -3.637 7.134 1.00 0.00 WT2 O ATOM 34625 H1 TIP3 8084 -21.367 10.774 -4.827 1.00 0.00 WT2 H ATOM 34626 H2 TIP3 8084 -0.445 -4.274 4.161 1.00 0.00 WT2 H ATOM 34627 OH2 TIP3 8085 -2.835 0.143 -5.716 1.00 0.00 WT2 O ATOM 34628 H1 TIP3 8085 18.317 -9.935 9.969 1.00 0.00 WT2 H ATOM 34629 H2 TIP3 8085 -6.065 15.498 2.387 1.00 0.00 WT2 H ATOM 34630 OH2 TIP3 8087 -5.399 0.607 -5.683 1.00 0.00 WT2 O ATOM 34631 H1 TIP3 8087 -7.933 2.877 9.429 1.00 0.00 WT2 H ATOM 34632 H2 TIP3 8087 10.196 -2.636 -6.473 1.00 0.00 WT2 H ATOM 34633 OH2 TIP3 8088 -3.973 9.892 -0.048 1.00 0.00 WT2 O ATOM 34634 H1 TIP3 8088 20.838 18.022 -3.944 1.00 0.00 WT2 H ATOM 34635 H2 TIP3 8088 -25.313 20.064 -12.466 1.00 0.00 WT2 H ATOM 34636 OH2 TIP3 8089 -0.441 -6.069 -6.407 1.00 0.00 WT2 O ATOM 34637 H1 TIP3 8089 3.802 -12.923 -10.091 1.00 0.00 WT2 H ATOM 34638 H2 TIP3 8089 2.373 -16.289 -5.633 1.00 0.00 WT2 H ATOM 34639 OH2 TIP3 8091 -0.054 -2.103 -0.518 1.00 0.00 WT2 O ATOM 34640 H1 TIP3 8091 6.554 16.424 12.590 1.00 0.00 WT2 H ATOM 34641 H2 TIP3 8091 20.359 -13.560 -3.485 1.00 0.00 WT2 H ATOM 34642 OH2 TIP3 8092 -2.225 4.526 2.210 1.00 0.00 WT2 O ATOM 34643 H1 TIP3 8092 2.713 22.238 -13.672 1.00 0.00 WT2 H ATOM 34644 H2 TIP3 8092 19.617 -3.155 12.166 1.00 0.00 WT2 H ATOM 34645 OH2 TIP3 8093 0.415 -2.560 7.414 1.00 0.00 WT2 O ATOM 34646 H1 TIP3 8093 21.897 -3.450 3.219 1.00 0.00 WT2 H ATOM 34647 H2 TIP3 8093 -2.871 -10.125 19.914 1.00 0.00 WT2 H ATOM 34648 OH2 TIP3 8095 -1.130 0.358 -1.356 1.00 0.00 WT2 O ATOM 34649 H1 TIP3 8095 -5.428 7.045 1.082 1.00 0.00 WT2 H ATOM 34650 H2 TIP3 8095 -6.265 -3.085 0.610 1.00 0.00 WT2 H ATOM 34651 OH2 TIP3 8096 -6.025 -3.195 3.342 1.00 0.00 WT2 O ATOM 34652 H1 TIP3 8096 -4.656 -4.128 1.496 1.00 0.00 WT2 H ATOM 34653 H2 TIP3 8096 -12.284 8.682 13.722 1.00 0.00 WT2 H ATOM 34654 OH2 TIP3 8104 -0.575 6.810 -0.399 1.00 0.00 WT2 O ATOM 34655 H1 TIP3 8104 8.848 24.953 -7.070 1.00 0.00 WT2 H ATOM 34656 H2 TIP3 8104 -0.434 17.744 6.177 1.00 0.00 WT2 H ATOM 34657 OH2 TIP3 8106 -2.923 4.818 -0.796 1.00 0.00 WT2 O ATOM 34658 H1 TIP3 8106 1.111 5.611 18.787 1.00 0.00 WT2 H ATOM 34659 H2 TIP3 8106 1.350 -11.010 -4.451 1.00 0.00 WT2 H ATOM 34660 OH2 TIP3 8107 -5.009 -4.515 1.041 1.00 0.00 WT2 O ATOM 34661 H1 TIP3 8107 -6.582 -5.040 -10.650 1.00 0.00 WT2 H ATOM 34662 H2 TIP3 8107 6.761 6.927 5.440 1.00 0.00 WT2 H ATOM 34663 OH2 TIP3 8109 -5.750 0.729 1.750 1.00 0.00 WT2 O ATOM 34664 H1 TIP3 8109 15.631 8.601 2.914 1.00 0.00 WT2 H ATOM 34665 H2 TIP3 8109 2.811 -2.451 -5.551 1.00 0.00 WT2 H ATOM 34666 OH2 TIP3 8110 -4.884 3.252 -0.892 1.00 0.00 WT2 O ATOM 34667 H1 TIP3 8110 2.330 16.933 13.842 1.00 0.00 WT2 H ATOM 34668 H2 TIP3 8110 -0.031 10.785 5.312 1.00 0.00 WT2 H ATOM 34669 OH2 TIP3 8111 -1.755 1.613 -0.453 1.00 0.00 WT2 O ATOM 34670 H1 TIP3 8111 -31.127 -28.937 6.413 1.00 0.00 WT2 H ATOM 34671 H2 TIP3 8111 -4.483 0.508 -9.541 1.00 0.00 WT2 H ATOM 34672 OH2 TIP3 8112 6.712 -2.722 -3.022 1.00 0.00 WT2 O ATOM 34673 H1 TIP3 8112 -10.365 20.565 -8.068 1.00 0.00 WT2 H ATOM 34674 H2 TIP3 8112 3.052 -21.485 17.719 1.00 0.00 WT2 H ATOM 34675 OH2 TIP3 8113 -0.048 -3.824 1.012 1.00 0.00 WT2 O ATOM 34676 H1 TIP3 8113 4.250 -8.703 -6.835 1.00 0.00 WT2 H ATOM 34677 H2 TIP3 8113 -2.509 -18.138 8.064 1.00 0.00 WT2 H ATOM 34678 OH2 TIP3 8114 3.510 1.714 -4.290 1.00 0.00 WT2 O ATOM 34679 H1 TIP3 8114 4.394 -4.543 3.881 1.00 0.00 WT2 H ATOM 34680 H2 TIP3 8114 -8.523 2.972 -31.021 1.00 0.00 WT2 H ATOM 34681 OH2 TIP3 8126 1.408 -2.997 5.446 1.00 0.00 WT2 O ATOM 34682 H1 TIP3 8126 6.441 6.161 -8.309 1.00 0.00 WT2 H ATOM 34683 H2 TIP3 8126 0.514 13.264 -4.827 1.00 0.00 WT2 H ATOM 34684 OH2 TIP3 8129 -1.168 3.370 0.568 1.00 0.00 WT2 O ATOM 34685 H1 TIP3 8129 -0.142 1.755 5.232 1.00 0.00 WT2 H ATOM 34686 H2 TIP3 8129 -2.969 5.281 1.559 1.00 0.00 WT2 H ATOM 34687 OH2 TIP3 8131 -3.310 2.134 0.143 1.00 0.00 WT2 O ATOM 34688 H1 TIP3 8131 6.648 6.198 6.526 1.00 0.00 WT2 H ATOM 34689 H2 TIP3 8131 -13.222 5.884 -0.326 1.00 0.00 WT2 H ATOM 34690 OH2 TIP3 8135 -4.146 4.737 -1.994 1.00 0.00 WT2 O ATOM 34691 H1 TIP3 8135 -17.450 10.393 0.867 1.00 0.00 WT2 H ATOM 34692 H2 TIP3 8135 1.066 2.129 10.984 1.00 0.00 WT2 H ATOM 34693 OH2 TIP3 8136 0.464 -7.709 -4.593 1.00 0.00 WT2 O ATOM 34694 H1 TIP3 8136 -1.296 -1.589 -19.289 1.00 0.00 WT2 H ATOM 34695 H2 TIP3 8136 -2.587 -3.153 -21.173 1.00 0.00 WT2 H ATOM 34696 OH2 TIP3 8150 8.082 -1.432 5.856 1.00 0.00 WT2 O ATOM 34697 H1 TIP3 8150 6.787 -18.206 5.960 1.00 0.00 WT2 H ATOM 34698 H2 TIP3 8150 5.279 -30.775 7.915 1.00 0.00 WT2 H ATOM 34699 OH2 TIP3 8152 -5.880 -1.368 -3.408 1.00 0.00 WT2 O ATOM 34700 H1 TIP3 8152 8.699 8.349 9.219 1.00 0.00 WT2 H ATOM 34701 H2 TIP3 8152 4.979 -13.580 -7.609 1.00 0.00 WT2 H ATOM 34702 OH2 TIP3 8154 -0.975 -3.593 8.431 1.00 0.00 WT2 O ATOM 34703 H1 TIP3 8154 7.469 7.126 1.969 1.00 0.00 WT2 H ATOM 34704 H2 TIP3 8154 4.074 -0.343 13.240 1.00 0.00 WT2 H ATOM 34705 OH2 TIP3 8155 -0.378 -3.825 4.083 1.00 0.00 WT2 O ATOM 34706 H1 TIP3 8155 2.097 -17.368 4.324 1.00 0.00 WT2 H ATOM 34707 H2 TIP3 8155 10.636 16.811 2.705 1.00 0.00 WT2 H ATOM 34708 OH2 TIP3 8157 -4.817 1.362 -1.159 1.00 0.00 WT2 O ATOM 34709 H1 TIP3 8157 4.898 11.925 5.325 1.00 0.00 WT2 H ATOM 34710 H2 TIP3 8157 -19.525 -5.458 -14.602 1.00 0.00 WT2 H ATOM 34711 OH2 TIP3 8159 -2.889 4.005 -4.241 1.00 0.00 WT2 O ATOM 34712 H1 TIP3 8159 10.975 3.324 -3.501 1.00 0.00 WT2 H ATOM 34713 H2 TIP3 8159 -7.141 14.603 1.067 1.00 0.00 WT2 H ATOM 34714 OH2 TIP3 8169 1.256 0.734 -0.539 1.00 0.00 WT2 O ATOM 34715 H1 TIP3 8169 -4.848 -14.299 -30.206 1.00 0.00 WT2 H ATOM 34716 H2 TIP3 8169 8.069 5.155 6.307 1.00 0.00 WT2 H ATOM 34717 OH2 TIP3 8171 2.286 3.879 -4.244 1.00 0.00 WT2 O ATOM 34718 H1 TIP3 8171 10.081 -0.970 -11.499 1.00 0.00 WT2 H ATOM 34719 H2 TIP3 8171 9.615 1.842 -5.997 1.00 0.00 WT2 H ATOM 34720 OH2 TIP3 8173 0.919 0.719 -6.696 1.00 0.00 WT2 O ATOM 34721 H1 TIP3 8173 12.999 6.419 -6.625 1.00 0.00 WT2 H ATOM 34722 H2 TIP3 8173 9.178 -0.179 -5.848 1.00 0.00 WT2 H ATOM 34723 OH2 TIP3 8174 -0.796 9.377 -0.670 1.00 0.00 WT2 O ATOM 34724 H1 TIP3 8174 -15.632 11.641 0.921 1.00 0.00 WT2 H ATOM 34725 H2 TIP3 8174 -9.009 9.449 -6.730 1.00 0.00 WT2 H ATOM 34726 OH2 TIP3 8178 3.011 -2.066 -4.671 1.00 0.00 WT2 O ATOM 34727 H1 TIP3 8178 -20.280 -6.148 -7.056 1.00 0.00 WT2 H ATOM 34728 H2 TIP3 8178 -22.244 1.472 -1.839 1.00 0.00 WT2 H ATOM 34729 OH2 TIP3 8181 2.520 7.789 -4.042 1.00 0.00 WT2 O ATOM 34730 H1 TIP3 8181 25.375 10.973 11.337 1.00 0.00 WT2 H ATOM 34731 H2 TIP3 8181 12.020 11.291 -0.087 1.00 0.00 WT2 H ATOM 34732 OH2 TIP3 8192 6.695 0.811 1.170 1.00 0.00 WT2 O ATOM 34733 H1 TIP3 8192 21.504 0.141 -5.855 1.00 0.00 WT2 H ATOM 34734 H2 TIP3 8192 -5.618 -36.731 -24.320 1.00 0.00 WT2 H ATOM 34735 OH2 TIP3 8193 -0.821 4.429 -0.425 1.00 0.00 WT2 O ATOM 34736 H1 TIP3 8193 -5.655 1.476 11.272 1.00 0.00 WT2 H ATOM 34737 H2 TIP3 8193 6.205 13.249 11.863 1.00 0.00 WT2 H ATOM 34738 OH2 TIP3 8194 3.225 -4.034 -5.456 1.00 0.00 WT2 O ATOM 34739 H1 TIP3 8194 -1.865 -1.008 -2.143 1.00 0.00 WT2 H ATOM 34740 H2 TIP3 8194 9.788 -1.279 7.267 1.00 0.00 WT2 H ATOM 34741 OH2 TIP3 8196 -0.588 -4.687 0.118 1.00 0.00 WT2 O ATOM 34742 H1 TIP3 8196 3.103 15.742 -6.711 1.00 0.00 WT2 H ATOM 34743 H2 TIP3 8196 17.700 -11.617 2.122 1.00 0.00 WT2 H ATOM 34744 OH2 TIP3 8198 3.321 4.639 5.283 1.00 0.00 WT2 O ATOM 34745 H1 TIP3 8198 9.440 -0.630 3.756 1.00 0.00 WT2 H ATOM 34746 H2 TIP3 8198 2.669 -10.834 8.228 1.00 0.00 WT2 H ATOM 34747 OH2 TIP3 8200 -1.670 1.020 4.531 1.00 0.00 WT2 O ATOM 34748 H1 TIP3 8200 7.825 -4.505 -2.862 1.00 0.00 WT2 H ATOM 34749 H2 TIP3 8200 -8.052 0.510 1.048 1.00 0.00 WT2 H ATOM 34750 OH2 TIP3 8211 3.039 -1.665 -1.649 1.00 0.00 WT2 O ATOM 34751 H1 TIP3 8211 -8.022 2.169 8.562 1.00 0.00 WT2 H ATOM 34752 H2 TIP3 8211 36.800 8.643 14.277 1.00 0.00 WT2 H ATOM 34753 OH2 TIP3 8212 -0.181 1.103 7.309 1.00 0.00 WT2 O ATOM 34754 H1 TIP3 8212 4.508 -3.973 3.040 1.00 0.00 WT2 H ATOM 34755 H2 TIP3 8212 1.826 -4.569 16.530 1.00 0.00 WT2 H ATOM 34756 OH2 TIP3 8215 -4.498 2.047 0.248 1.00 0.00 WT2 O ATOM 34757 H1 TIP3 8215 -4.165 -14.184 19.971 1.00 0.00 WT2 H ATOM 34758 H2 TIP3 8215 3.630 -19.892 -0.159 1.00 0.00 WT2 H ATOM 34759 OH2 TIP3 8216 7.922 0.280 -0.856 1.00 0.00 WT2 O ATOM 34760 H1 TIP3 8216 11.865 -13.690 -3.300 1.00 0.00 WT2 H ATOM 34761 H2 TIP3 8216 8.705 -0.783 -14.134 1.00 0.00 WT2 H ATOM 34762 OH2 TIP3 8218 -2.054 2.364 0.180 1.00 0.00 WT2 O ATOM 34763 H1 TIP3 8218 -1.493 -15.025 -7.515 1.00 0.00 WT2 H ATOM 34764 H2 TIP3 8218 4.621 4.805 2.227 1.00 0.00 WT2 H ATOM 34765 OH2 TIP3 8219 2.154 -4.887 -1.153 1.00 0.00 WT2 O ATOM 34766 H1 TIP3 8219 4.642 9.244 -10.952 1.00 0.00 WT2 H ATOM 34767 H2 TIP3 8219 -9.240 -13.456 7.752 1.00 0.00 WT2 H ATOM 34768 OH2 TIP3 8231 -0.923 -1.505 -0.974 1.00 0.00 WT2 O ATOM 34769 H1 TIP3 8231 1.929 -9.393 -8.955 1.00 0.00 WT2 H ATOM 34770 H2 TIP3 8231 -0.863 7.504 -6.481 1.00 0.00 WT2 H ATOM 34771 OH2 TIP3 8233 0.306 2.718 -8.129 1.00 0.00 WT2 O ATOM 34772 H1 TIP3 8233 -19.126 -4.590 19.121 1.00 0.00 WT2 H ATOM 34773 H2 TIP3 8233 5.832 24.824 22.351 1.00 0.00 WT2 H ATOM 34774 OH2 TIP3 8234 0.389 1.940 -4.558 1.00 0.00 WT2 O ATOM 34775 H1 TIP3 8234 16.035 9.657 -1.802 1.00 0.00 WT2 H ATOM 34776 H2 TIP3 8234 -10.377 -0.301 10.555 1.00 0.00 WT2 H ATOM 34777 OH2 TIP3 8235 -3.477 -1.514 -1.006 1.00 0.00 WT2 O ATOM 34778 H1 TIP3 8235 -4.045 -1.518 -2.230 1.00 0.00 WT2 H ATOM 34779 H2 TIP3 8235 -2.740 -2.375 1.468 1.00 0.00 WT2 H ATOM 34780 OH2 TIP3 8239 -1.314 1.330 -1.960 1.00 0.00 WT2 O ATOM 34781 H1 TIP3 8239 -35.622 -3.095 -1.840 1.00 0.00 WT2 H ATOM 34782 H2 TIP3 8239 15.071 10.750 0.787 1.00 0.00 WT2 H ATOM 34783 OH2 TIP3 8240 -2.442 -1.698 -4.439 1.00 0.00 WT2 O ATOM 34784 H1 TIP3 8240 -17.000 -11.148 12.671 1.00 0.00 WT2 H ATOM 34785 H2 TIP3 8240 -3.546 12.371 -6.790 1.00 0.00 WT2 H ATOM 34786 OH2 TIP3 8242 2.410 -2.878 1.284 1.00 0.00 WT2 O ATOM 34787 H1 TIP3 8242 -27.504 -13.209 -10.959 1.00 0.00 WT2 H ATOM 34788 H2 TIP3 8242 41.349 15.868 3.020 1.00 0.00 WT2 H ATOM 34789 OH2 TIP3 8256 -5.098 -4.824 -7.736 1.00 0.00 WT2 O ATOM 34790 H1 TIP3 8256 4.155 9.825 -0.557 1.00 0.00 WT2 H ATOM 34791 H2 TIP3 8256 -9.286 -3.082 -25.265 1.00 0.00 WT2 H ATOM 34792 OH2 TIP3 8257 4.267 6.038 -8.340 1.00 0.00 WT2 O ATOM 34793 H1 TIP3 8257 -13.431 12.611 -9.269 1.00 0.00 WT2 H ATOM 34794 H2 TIP3 8257 9.337 13.045 6.494 1.00 0.00 WT2 H ATOM 34795 OH2 TIP3 8258 -4.611 2.141 3.747 1.00 0.00 WT2 O ATOM 34796 H1 TIP3 8258 -10.340 11.418 1.047 1.00 0.00 WT2 H ATOM 34797 H2 TIP3 8258 2.831 -5.061 1.191 1.00 0.00 WT2 H ATOM 34798 OH2 TIP3 8259 -4.910 -7.804 -0.422 1.00 0.00 WT2 O ATOM 34799 H1 TIP3 8259 -0.214 -24.669 3.441 1.00 0.00 WT2 H ATOM 34800 H2 TIP3 8259 -5.357 -0.450 -1.669 1.00 0.00 WT2 H ATOM 34801 OH2 TIP3 8260 1.156 -0.887 -3.705 1.00 0.00 WT2 O ATOM 34802 H1 TIP3 8260 15.925 3.371 -15.754 1.00 0.00 WT2 H ATOM 34803 H2 TIP3 8260 10.419 0.788 -8.465 1.00 0.00 WT2 H ATOM 34804 OH2 TIP3 8276 -1.794 -0.321 -0.171 1.00 0.00 WT2 O ATOM 34805 H1 TIP3 8276 18.882 -4.784 35.851 1.00 0.00 WT2 H ATOM 34806 H2 TIP3 8276 3.543 -13.252 -2.707 1.00 0.00 WT2 H ATOM 34807 OH2 TIP3 8277 -3.355 -0.204 0.937 1.00 0.00 WT2 O ATOM 34808 H1 TIP3 8277 -3.477 -9.535 -10.551 1.00 0.00 WT2 H ATOM 34809 H2 TIP3 8277 -0.891 3.951 8.450 1.00 0.00 WT2 H ATOM 34810 OH2 TIP3 8278 -6.492 -4.620 3.319 1.00 0.00 WT2 O ATOM 34811 H1 TIP3 8278 -5.088 -18.329 20.473 1.00 0.00 WT2 H ATOM 34812 H2 TIP3 8278 -15.531 14.894 13.080 1.00 0.00 WT2 H ATOM 34813 OH2 TIP3 8279 -2.642 -3.391 0.583 1.00 0.00 WT2 O ATOM 34814 H1 TIP3 8279 -35.230 -12.388 -10.142 1.00 0.00 WT2 H ATOM 34815 H2 TIP3 8279 -11.844 -5.994 -2.649 1.00 0.00 WT2 H ATOM 34816 OH2 TIP3 8280 -2.117 -0.208 -3.753 1.00 0.00 WT2 O ATOM 34817 H1 TIP3 8280 -7.830 -24.053 24.437 1.00 0.00 WT2 H ATOM 34818 H2 TIP3 8280 -4.553 11.268 6.322 1.00 0.00 WT2 H ATOM 34819 OH2 TIP3 8281 3.306 0.374 2.672 1.00 0.00 WT2 O ATOM 34820 H1 TIP3 8281 -9.318 -1.509 5.913 1.00 0.00 WT2 H ATOM 34821 H2 TIP3 8281 17.785 0.137 3.403 1.00 0.00 WT2 H ATOM 34822 OH2 TIP3 8297 0.710 -7.813 -4.809 1.00 0.00 WT2 O ATOM 34823 H1 TIP3 8297 4.750 3.233 20.787 1.00 0.00 WT2 H ATOM 34824 H2 TIP3 8297 -3.588 -6.859 -10.869 1.00 0.00 WT2 H ATOM 34825 OH2 TIP3 8300 1.114 4.970 12.072 1.00 0.00 WT2 O ATOM 34826 H1 TIP3 8300 3.455 7.017 6.757 1.00 0.00 WT2 H ATOM 34827 H2 TIP3 8300 -1.257 3.109 16.311 1.00 0.00 WT2 H ATOM 34828 OH2 TIP3 8301 1.151 2.360 -0.017 1.00 0.00 WT2 O ATOM 34829 H1 TIP3 8301 6.978 -11.043 -1.328 1.00 0.00 WT2 H ATOM 34830 H2 TIP3 8301 -1.235 12.233 15.412 1.00 0.00 WT2 H ATOM 34831 OH2 TIP3 8302 -3.313 4.634 -1.705 1.00 0.00 WT2 O ATOM 34832 H1 TIP3 8302 3.513 2.641 -8.477 1.00 0.00 WT2 H ATOM 34833 H2 TIP3 8302 -1.624 -11.807 0.850 1.00 0.00 WT2 H ATOM 34834 OH2 TIP3 8305 3.442 -1.680 -1.785 1.00 0.00 WT2 O ATOM 34835 H1 TIP3 8305 3.487 -2.808 10.180 1.00 0.00 WT2 H ATOM 34836 H2 TIP3 8305 7.327 3.504 -14.804 1.00 0.00 WT2 H ATOM 34837 OH2 TIP3 8315 -4.584 2.916 0.151 1.00 0.00 WT2 O ATOM 34838 H1 TIP3 8315 16.597 -9.487 -7.572 1.00 0.00 WT2 H ATOM 34839 H2 TIP3 8315 4.584 19.038 -4.370 1.00 0.00 WT2 H ATOM 34840 OH2 TIP3 8317 -5.603 -2.495 -8.331 1.00 0.00 WT2 O ATOM 34841 H1 TIP3 8317 9.758 -27.157 3.163 1.00 0.00 WT2 H ATOM 34842 H2 TIP3 8317 5.977 9.533 -13.491 1.00 0.00 WT2 H ATOM 34843 OH2 TIP3 8319 -4.801 -2.677 4.363 1.00 0.00 WT2 O ATOM 34844 H1 TIP3 8319 -12.012 -10.672 -6.067 1.00 0.00 WT2 H ATOM 34845 H2 TIP3 8319 -4.286 -6.618 14.731 1.00 0.00 WT2 H ATOM 34846 OH2 TIP3 8322 0.314 1.589 2.969 1.00 0.00 WT2 O ATOM 34847 H1 TIP3 8322 -3.971 7.041 -0.755 1.00 0.00 WT2 H ATOM 34848 H2 TIP3 8322 7.599 -5.067 9.747 1.00 0.00 WT2 H ATOM 34849 OH2 TIP3 8323 -6.499 -7.799 2.906 1.00 0.00 WT2 O ATOM 34850 H1 TIP3 8323 9.371 -7.605 20.721 1.00 0.00 WT2 H ATOM 34851 H2 TIP3 8323 1.621 17.957 5.844 1.00 0.00 WT2 H ATOM 34852 OH2 TIP3 8324 2.157 0.504 -2.344 1.00 0.00 WT2 O ATOM 34853 H1 TIP3 8324 -5.080 7.906 10.428 1.00 0.00 WT2 H ATOM 34854 H2 TIP3 8324 1.601 -3.458 -1.234 1.00 0.00 WT2 H ATOM 34855 OH2 TIP3 8325 -2.602 3.965 -0.538 1.00 0.00 WT2 O ATOM 34856 H1 TIP3 8325 -5.733 19.190 -8.739 1.00 0.00 WT2 H ATOM 34857 H2 TIP3 8325 -7.289 0.352 -1.472 1.00 0.00 WT2 H ATOM 34858 OH2 TIP3 8338 3.276 2.325 -1.196 1.00 0.00 WT2 O ATOM 34859 H1 TIP3 8338 18.184 -23.971 -7.544 1.00 0.00 WT2 H ATOM 34860 H2 TIP3 8338 -0.681 -11.033 -12.391 1.00 0.00 WT2 H ATOM 34861 OH2 TIP3 8339 -0.972 -5.040 -2.949 1.00 0.00 WT2 O ATOM 34862 H1 TIP3 8339 10.086 5.576 -24.047 1.00 0.00 WT2 H ATOM 34863 H2 TIP3 8339 -30.327 -25.961 11.607 1.00 0.00 WT2 H ATOM 34864 OH2 TIP3 8344 -4.104 0.928 3.012 1.00 0.00 WT2 O ATOM 34865 H1 TIP3 8344 -7.467 10.836 -9.125 1.00 0.00 WT2 H ATOM 34866 H2 TIP3 8344 2.706 17.309 11.062 1.00 0.00 WT2 H ATOM 34867 OH2 TIP3 8345 -2.752 0.707 3.747 1.00 0.00 WT2 O ATOM 34868 H1 TIP3 8345 -1.907 -0.389 6.114 1.00 0.00 WT2 H ATOM 34869 H2 TIP3 8345 7.194 -10.238 10.120 1.00 0.00 WT2 H ATOM 34870 OH2 TIP3 8347 -0.447 0.090 6.043 1.00 0.00 WT2 O ATOM 34871 H1 TIP3 8347 11.042 7.164 16.229 1.00 0.00 WT2 H ATOM 34872 H2 TIP3 8347 4.963 -8.516 18.896 1.00 0.00 WT2 H ATOM 34873 OH2 TIP3 8362 -7.494 -2.360 -7.850 1.00 0.00 WT2 O ATOM 34874 H1 TIP3 8362 -9.795 0.662 7.376 1.00 0.00 WT2 H ATOM 34875 H2 TIP3 8362 -3.208 1.568 0.566 1.00 0.00 WT2 H ATOM 34876 OH2 TIP3 8363 -3.832 0.097 -0.421 1.00 0.00 WT2 O ATOM 34877 H1 TIP3 8363 -4.408 8.493 -19.584 1.00 0.00 WT2 H ATOM 34878 H2 TIP3 8363 -8.588 -12.756 -4.690 1.00 0.00 WT2 H ATOM 34879 OH2 TIP3 8364 0.651 3.905 -8.059 1.00 0.00 WT2 O ATOM 34880 H1 TIP3 8364 0.931 17.018 0.738 1.00 0.00 WT2 H ATOM 34881 H2 TIP3 8364 1.184 -17.656 -27.929 1.00 0.00 WT2 H ATOM 34882 OH2 TIP3 8365 -2.382 4.016 4.196 1.00 0.00 WT2 O ATOM 34883 H1 TIP3 8365 0.414 8.445 -1.585 1.00 0.00 WT2 H ATOM 34884 H2 TIP3 8365 -0.508 10.429 -0.895 1.00 0.00 WT2 H ATOM 34885 OH2 TIP3 8366 1.196 0.241 -4.040 1.00 0.00 WT2 O ATOM 34886 H1 TIP3 8366 2.341 10.029 18.269 1.00 0.00 WT2 H ATOM 34887 H2 TIP3 8366 29.265 34.479 17.214 1.00 0.00 WT2 H ATOM 34888 OH2 TIP3 8367 0.222 1.233 2.177 1.00 0.00 WT2 O ATOM 34889 H1 TIP3 8367 3.037 21.319 -9.381 1.00 0.00 WT2 H ATOM 34890 H2 TIP3 8367 29.980 15.139 -14.580 1.00 0.00 WT2 H ATOM 34891 OH2 TIP3 8377 -4.438 0.258 4.264 1.00 0.00 WT2 O ATOM 34892 H1 TIP3 8377 -8.447 19.774 5.787 1.00 0.00 WT2 H ATOM 34893 H2 TIP3 8377 -4.567 -18.046 17.615 1.00 0.00 WT2 H ATOM 34894 OH2 TIP3 8378 -4.930 -1.355 7.157 1.00 0.00 WT2 O ATOM 34895 H1 TIP3 8378 -3.345 5.201 10.750 1.00 0.00 WT2 H ATOM 34896 H2 TIP3 8378 -3.220 11.758 8.240 1.00 0.00 WT2 H ATOM 34897 OH2 TIP3 8379 3.826 -3.900 1.844 1.00 0.00 WT2 O ATOM 34898 H1 TIP3 8379 12.571 -5.319 1.420 1.00 0.00 WT2 H ATOM 34899 H2 TIP3 8379 8.522 -15.226 2.796 1.00 0.00 WT2 H ATOM 34900 OH2 TIP3 8380 3.853 -1.865 -0.287 1.00 0.00 WT2 O ATOM 34901 H1 TIP3 8380 -2.520 4.579 -0.286 1.00 0.00 WT2 H ATOM 34902 H2 TIP3 8380 18.182 -10.704 3.470 1.00 0.00 WT2 H ATOM 34903 OH2 TIP3 8381 3.550 -1.761 -0.847 1.00 0.00 WT2 O ATOM 34904 H1 TIP3 8381 6.617 -11.956 26.421 1.00 0.00 WT2 H ATOM 34905 H2 TIP3 8381 25.523 -13.308 -10.384 1.00 0.00 WT2 H ATOM 34906 OH2 TIP3 8382 0.612 -4.399 -5.581 1.00 0.00 WT2 O ATOM 34907 H1 TIP3 8382 -12.191 -10.981 -11.524 1.00 0.00 WT2 H ATOM 34908 H2 TIP3 8382 -7.692 -5.387 -10.846 1.00 0.00 WT2 H ATOM 34909 OH2 TIP3 8383 -5.179 1.602 3.193 1.00 0.00 WT2 O ATOM 34910 H1 TIP3 8383 -11.021 0.791 1.948 1.00 0.00 WT2 H ATOM 34911 H2 TIP3 8383 9.576 2.907 20.447 1.00 0.00 WT2 H ATOM 34912 OH2 TIP3 8384 -7.783 1.890 -0.166 1.00 0.00 WT2 O ATOM 34913 H1 TIP3 8384 -6.793 13.111 -0.471 1.00 0.00 WT2 H ATOM 34914 H2 TIP3 8384 1.206 -1.503 -6.462 1.00 0.00 WT2 H ATOM 34915 OH2 TIP3 8385 0.505 3.377 -7.301 1.00 0.00 WT2 O ATOM 34916 H1 TIP3 8385 -0.305 -6.742 7.476 1.00 0.00 WT2 H ATOM 34917 H2 TIP3 8385 -16.614 12.061 -11.644 1.00 0.00 WT2 H ATOM 34918 OH2 TIP3 8386 -1.042 3.859 -2.930 1.00 0.00 WT2 O ATOM 34919 H1 TIP3 8386 0.927 13.287 -5.061 1.00 0.00 WT2 H ATOM 34920 H2 TIP3 8386 -13.446 -1.123 9.580 1.00 0.00 WT2 H ATOM 34921 OH2 TIP3 8388 -6.563 -8.348 4.567 1.00 0.00 WT2 O ATOM 34922 H1 TIP3 8388 -4.244 -5.520 10.804 1.00 0.00 WT2 H ATOM 34923 H2 TIP3 8388 -9.163 -17.339 1.066 1.00 0.00 WT2 H ATOM 34924 OH2 TIP3 8389 1.773 -1.258 7.394 1.00 0.00 WT2 O ATOM 34925 H1 TIP3 8389 2.784 -0.055 4.628 1.00 0.00 WT2 H ATOM 34926 H2 TIP3 8389 -0.384 -3.651 7.952 1.00 0.00 WT2 H ATOM 34927 OH2 TIP3 8390 -2.798 4.204 1.867 1.00 0.00 WT2 O ATOM 34928 H1 TIP3 8390 12.741 8.582 1.028 1.00 0.00 WT2 H ATOM 34929 H2 TIP3 8390 1.537 4.354 10.755 1.00 0.00 WT2 H ATOM 34930 OH2 TIP3 8403 -7.013 -10.018 -1.948 1.00 0.00 WT2 O ATOM 34931 H1 TIP3 8403 -15.163 -9.965 5.524 1.00 0.00 WT2 H ATOM 34932 H2 TIP3 8403 -7.445 -10.917 -1.320 1.00 0.00 WT2 H ATOM 34933 OH2 TIP3 8405 6.426 6.563 3.862 1.00 0.00 WT2 O ATOM 34934 H1 TIP3 8405 1.858 1.721 3.087 1.00 0.00 WT2 H ATOM 34935 H2 TIP3 8405 2.137 9.999 1.551 1.00 0.00 WT2 H ATOM 34936 OH2 TIP3 8411 0.941 2.047 0.884 1.00 0.00 WT2 O ATOM 34937 H1 TIP3 8411 -16.564 -13.945 1.848 1.00 0.00 WT2 H ATOM 34938 H2 TIP3 8411 18.411 -2.542 -1.424 1.00 0.00 WT2 H ATOM 34939 OH2 TIP3 8425 -2.931 -3.008 -0.189 1.00 0.00 WT2 O ATOM 34940 H1 TIP3 8425 -1.330 -0.737 7.012 1.00 0.00 WT2 H ATOM 34941 H2 TIP3 8425 0.702 -6.930 -8.100 1.00 0.00 WT2 H ATOM 34942 OH2 TIP3 8427 -4.609 1.009 -3.204 1.00 0.00 WT2 O ATOM 34943 H1 TIP3 8427 19.228 -11.767 13.072 1.00 0.00 WT2 H ATOM 34944 H2 TIP3 8427 -26.368 12.338 -18.625 1.00 0.00 WT2 H ATOM 34945 OH2 TIP3 8428 -3.007 -5.317 0.486 1.00 0.00 WT2 O ATOM 34946 H1 TIP3 8428 13.140 -9.611 9.786 1.00 0.00 WT2 H ATOM 34947 H2 TIP3 8428 3.319 -3.602 -18.835 1.00 0.00 WT2 H ATOM 34948 OH2 TIP3 8431 0.580 7.202 3.482 1.00 0.00 WT2 O ATOM 34949 H1 TIP3 8431 34.898 -11.351 -10.507 1.00 0.00 WT2 H ATOM 34950 H2 TIP3 8431 16.069 20.810 16.513 1.00 0.00 WT2 H ATOM 34951 OH2 TIP3 8441 6.158 4.414 7.476 1.00 0.00 WT2 O ATOM 34952 H1 TIP3 8441 14.413 3.251 15.382 1.00 0.00 WT2 H ATOM 34953 H2 TIP3 8441 15.149 2.327 15.713 1.00 0.00 WT2 H ATOM 34954 OH2 TIP3 8442 2.248 3.974 3.267 1.00 0.00 WT2 O ATOM 34955 H1 TIP3 8442 23.816 -3.835 14.127 1.00 0.00 WT2 H ATOM 34956 H2 TIP3 8442 4.772 -9.333 0.950 1.00 0.00 WT2 H ATOM 34957 OH2 TIP3 8444 -0.997 2.708 0.482 1.00 0.00 WT2 O ATOM 34958 H1 TIP3 8444 4.982 5.353 4.701 1.00 0.00 WT2 H ATOM 34959 H2 TIP3 8444 -18.630 -16.840 -1.216 1.00 0.00 WT2 H ATOM 34960 OH2 TIP3 8445 10.733 -0.375 3.499 1.00 0.00 WT2 O ATOM 34961 H1 TIP3 8445 -5.287 -14.717 8.888 1.00 0.00 WT2 H ATOM 34962 H2 TIP3 8445 26.796 -7.793 5.971 1.00 0.00 WT2 H ATOM 34963 OH2 TIP3 8446 -1.056 3.462 -3.031 1.00 0.00 WT2 O ATOM 34964 H1 TIP3 8446 -0.523 -7.775 -19.201 1.00 0.00 WT2 H ATOM 34965 H2 TIP3 8446 -16.330 7.535 -1.227 1.00 0.00 WT2 H ATOM 34966 OH2 TIP3 8449 -7.772 -2.130 -1.212 1.00 0.00 WT2 O ATOM 34967 H1 TIP3 8449 22.782 6.747 11.388 1.00 0.00 WT2 H ATOM 34968 H2 TIP3 8449 5.587 -31.783 13.331 1.00 0.00 WT2 H ATOM 34969 OH2 TIP3 8455 -3.697 -1.492 -3.728 1.00 0.00 WT2 O ATOM 34970 H1 TIP3 8455 -16.469 1.383 -11.746 1.00 0.00 WT2 H ATOM 34971 H2 TIP3 8455 10.832 -13.433 -3.317 1.00 0.00 WT2 H ATOM 34972 OH2 TIP3 8462 2.161 -2.809 -6.279 1.00 0.00 WT2 O ATOM 34973 H1 TIP3 8462 0.154 -15.057 -7.122 1.00 0.00 WT2 H ATOM 34974 H2 TIP3 8462 -31.607 10.467 -10.756 1.00 0.00 WT2 H ATOM 34975 OH2 TIP3 8463 1.782 -1.866 1.033 1.00 0.00 WT2 O ATOM 34976 H1 TIP3 8463 -7.097 -17.194 -24.232 1.00 0.00 WT2 H ATOM 34977 H2 TIP3 8463 17.750 0.895 5.713 1.00 0.00 WT2 H ATOM 34978 OH2 TIP3 8465 0.628 10.006 5.577 1.00 0.00 WT2 O ATOM 34979 H1 TIP3 8465 11.973 10.048 13.517 1.00 0.00 WT2 H ATOM 34980 H2 TIP3 8465 -19.210 12.808 6.275 1.00 0.00 WT2 H ATOM 34981 OH2 TIP3 8466 1.898 2.250 -9.752 1.00 0.00 WT2 O ATOM 34982 H1 TIP3 8466 9.747 9.772 -1.818 1.00 0.00 WT2 H ATOM 34983 H2 TIP3 8466 -4.136 -0.992 -3.895 1.00 0.00 WT2 H ATOM 34984 OH2 TIP3 8468 -2.818 -7.094 -0.089 1.00 0.00 WT2 O ATOM 34985 H1 TIP3 8468 -6.042 7.489 -2.893 1.00 0.00 WT2 H ATOM 34986 H2 TIP3 8468 -7.065 11.625 -3.950 1.00 0.00 WT2 H ATOM 34987 OH2 TIP3 8471 1.959 -0.315 1.128 1.00 0.00 WT2 O ATOM 34988 H1 TIP3 8471 -19.700 -21.730 14.372 1.00 0.00 WT2 H ATOM 34989 H2 TIP3 8471 11.659 -15.599 12.016 1.00 0.00 WT2 H ATOM 34990 OH2 TIP3 8486 0.463 -1.222 -2.679 1.00 0.00 WT2 O ATOM 34991 H1 TIP3 8486 -0.877 -3.624 -2.550 1.00 0.00 WT2 H ATOM 34992 H2 TIP3 8486 1.759 -0.261 -4.382 1.00 0.00 WT2 H ATOM 34993 OH2 TIP3 8487 -3.840 -3.335 -3.311 1.00 0.00 WT2 O ATOM 34994 H1 TIP3 8487 -15.455 -4.732 -13.939 1.00 0.00 WT2 H ATOM 34995 H2 TIP3 8487 8.981 4.182 -3.884 1.00 0.00 WT2 H ATOM 34996 OH2 TIP3 8488 -3.632 -9.414 9.563 1.00 0.00 WT2 O ATOM 34997 H1 TIP3 8488 19.541 -10.016 38.943 1.00 0.00 WT2 H ATOM 34998 H2 TIP3 8488 11.565 -10.801 25.913 1.00 0.00 WT2 H ATOM 34999 OH2 TIP3 8489 -2.713 -4.273 7.985 1.00 0.00 WT2 O ATOM 35000 H1 TIP3 8489 -5.366 8.471 6.012 1.00 0.00 WT2 H ATOM 35001 H2 TIP3 8489 -9.183 -9.764 -3.953 1.00 0.00 WT2 H ATOM 35002 OH2 TIP3 8490 8.610 1.701 -3.961 1.00 0.00 WT2 O ATOM 35003 H1 TIP3 8490 -7.785 17.160 14.033 1.00 0.00 WT2 H ATOM 35004 H2 TIP3 8490 5.067 9.489 -7.764 1.00 0.00 WT2 H ATOM 35005 OH2 TIP3 8493 -2.879 -1.572 -0.962 1.00 0.00 WT2 O ATOM 35006 H1 TIP3 8493 3.583 4.395 -2.199 1.00 0.00 WT2 H ATOM 35007 H2 TIP3 8493 -6.330 1.431 -2.103 1.00 0.00 WT2 H ATOM 35008 OH2 TIP3 8504 -0.607 0.286 -1.466 1.00 0.00 WT2 O ATOM 35009 H1 TIP3 8504 -13.943 15.517 -10.742 1.00 0.00 WT2 H ATOM 35010 H2 TIP3 8504 5.467 -13.208 20.176 1.00 0.00 WT2 H ATOM 35011 OH2 TIP3 8505 -3.448 -3.295 3.341 1.00 0.00 WT2 O ATOM 35012 H1 TIP3 8505 -9.106 -0.657 18.145 1.00 0.00 WT2 H ATOM 35013 H2 TIP3 8505 -10.302 -0.931 22.653 1.00 0.00 WT2 H ATOM 35014 OH2 TIP3 8506 1.123 3.894 6.533 1.00 0.00 WT2 O ATOM 35015 H1 TIP3 8506 19.244 -9.792 0.482 1.00 0.00 WT2 H ATOM 35016 H2 TIP3 8506 -12.177 0.242 0.562 1.00 0.00 WT2 H ATOM 35017 OH2 TIP3 8507 3.110 -6.041 5.412 1.00 0.00 WT2 O ATOM 35018 H1 TIP3 8507 23.030 -2.054 -13.513 1.00 0.00 WT2 H ATOM 35019 H2 TIP3 8507 -14.159 20.892 -2.964 1.00 0.00 WT2 H ATOM 35020 OH2 TIP3 8508 -2.753 -8.133 4.543 1.00 0.00 WT2 O ATOM 35021 H1 TIP3 8508 -0.652 8.255 6.251 1.00 0.00 WT2 H ATOM 35022 H2 TIP3 8508 -6.806 -21.263 3.478 1.00 0.00 WT2 H ATOM 35023 OH2 TIP3 8509 4.769 -1.850 -4.045 1.00 0.00 WT2 O ATOM 35024 H1 TIP3 8509 0.463 -3.850 1.603 1.00 0.00 WT2 H ATOM 35025 H2 TIP3 8509 -6.419 -15.189 3.024 1.00 0.00 WT2 H ATOM 35026 OH2 TIP3 8513 -3.811 -5.367 0.740 1.00 0.00 WT2 O ATOM 35027 H1 TIP3 8513 -5.438 14.486 -11.272 1.00 0.00 WT2 H ATOM 35028 H2 TIP3 8513 -5.967 -7.547 12.142 1.00 0.00 WT2 H ATOM 35029 OH2 TIP3 8515 -2.623 3.971 -1.548 1.00 0.00 WT2 O ATOM 35030 H1 TIP3 8515 -8.820 -3.428 -9.557 1.00 0.00 WT2 H ATOM 35031 H2 TIP3 8515 7.540 -0.751 2.897 1.00 0.00 WT2 H ATOM 35032 OH2 TIP3 8516 2.296 2.855 -1.875 1.00 0.00 WT2 O ATOM 35033 H1 TIP3 8516 11.429 4.692 -22.140 1.00 0.00 WT2 H ATOM 35034 H2 TIP3 8516 -12.425 5.304 -3.988 1.00 0.00 WT2 H ATOM 35035 OH2 TIP3 8528 1.415 5.228 0.455 1.00 0.00 WT2 O ATOM 35036 H1 TIP3 8528 -19.110 -13.470 -3.243 1.00 0.00 WT2 H ATOM 35037 H2 TIP3 8528 26.749 -8.445 0.325 1.00 0.00 WT2 H ATOM 35038 OH2 TIP3 8529 1.414 1.903 -4.707 1.00 0.00 WT2 O ATOM 35039 H1 TIP3 8529 0.645 22.443 -7.382 1.00 0.00 WT2 H ATOM 35040 H2 TIP3 8529 -0.950 -14.094 -5.180 1.00 0.00 WT2 H ATOM 35041 OH2 TIP3 8530 7.004 -6.575 -10.261 1.00 0.00 WT2 O ATOM 35042 H1 TIP3 8530 -15.141 -6.566 -17.215 1.00 0.00 WT2 H ATOM 35043 H2 TIP3 8530 -5.244 -7.942 -1.030 1.00 0.00 WT2 H ATOM 35044 OH2 TIP3 8531 -2.729 -1.367 -6.320 1.00 0.00 WT2 O ATOM 35045 H1 TIP3 8531 21.736 4.963 -4.122 1.00 0.00 WT2 H ATOM 35046 H2 TIP3 8531 -45.950 -7.509 10.485 1.00 0.00 WT2 H ATOM 35047 OH2 TIP3 8532 -1.384 -2.621 -1.458 1.00 0.00 WT2 O ATOM 35048 H1 TIP3 8532 -0.541 -5.885 -3.518 1.00 0.00 WT2 H ATOM 35049 H2 TIP3 8532 2.177 11.221 3.989 1.00 0.00 WT2 H ATOM 35050 OH2 TIP3 8533 1.384 -1.458 3.356 1.00 0.00 WT2 O ATOM 35051 H1 TIP3 8533 -3.020 -14.851 3.215 1.00 0.00 WT2 H ATOM 35052 H2 TIP3 8533 -7.464 2.528 -7.677 1.00 0.00 WT2 H ATOM 35053 OH2 TIP3 8534 -1.227 2.058 2.987 1.00 0.00 WT2 O ATOM 35054 H1 TIP3 8534 12.837 -15.417 14.817 1.00 0.00 WT2 H ATOM 35055 H2 TIP3 8534 -11.220 -18.211 -11.635 1.00 0.00 WT2 H ATOM 35056 OH2 TIP3 8535 3.707 1.933 0.056 1.00 0.00 WT2 O ATOM 35057 H1 TIP3 8535 5.104 8.119 3.346 1.00 0.00 WT2 H ATOM 35058 H2 TIP3 8535 1.587 -6.091 15.398 1.00 0.00 WT2 H ATOM 35059 OH2 TIP3 8536 -0.386 -4.773 2.065 1.00 0.00 WT2 O ATOM 35060 H1 TIP3 8536 10.956 -10.510 -9.743 1.00 0.00 WT2 H ATOM 35061 H2 TIP3 8536 1.216 -4.885 1.672 1.00 0.00 WT2 H ATOM 35062 OH2 TIP3 8539 -2.667 -3.919 1.503 1.00 0.00 WT2 O ATOM 35063 H1 TIP3 8539 5.601 6.874 -4.876 1.00 0.00 WT2 H ATOM 35064 H2 TIP3 8539 -1.617 -2.541 -22.128 1.00 0.00 WT2 H ATOM 35065 OH2 TIP3 8543 -4.567 4.635 -9.156 1.00 0.00 WT2 O ATOM 35066 H1 TIP3 8543 1.382 -10.169 -0.221 1.00 0.00 WT2 H ATOM 35067 H2 TIP3 8543 -15.778 10.912 2.338 1.00 0.00 WT2 H ATOM 35068 OH2 TIP3 8548 -2.481 -0.368 -1.779 1.00 0.00 WT2 O ATOM 35069 H1 TIP3 8548 -11.009 -2.130 -21.183 1.00 0.00 WT2 H ATOM 35070 H2 TIP3 8548 -4.361 -4.643 -4.996 1.00 0.00 WT2 H ATOM 35071 OH2 TIP3 8549 0.304 5.962 3.250 1.00 0.00 WT2 O ATOM 35072 H1 TIP3 8549 7.872 5.984 -2.226 1.00 0.00 WT2 H ATOM 35073 H2 TIP3 8549 -19.931 2.696 -17.894 1.00 0.00 WT2 H ATOM 35074 OH2 TIP3 8550 -2.451 -1.027 5.882 1.00 0.00 WT2 O ATOM 35075 H1 TIP3 8550 -0.303 -2.905 8.910 1.00 0.00 WT2 H ATOM 35076 H2 TIP3 8550 -5.838 7.317 7.874 1.00 0.00 WT2 H ATOM 35077 OH2 TIP3 8551 3.089 0.425 4.313 1.00 0.00 WT2 O ATOM 35078 H1 TIP3 8551 -8.683 -6.866 6.176 1.00 0.00 WT2 H ATOM 35079 H2 TIP3 8551 -4.067 4.965 11.629 1.00 0.00 WT2 H ATOM 35080 OH2 TIP3 8553 -2.936 -0.905 -5.009 1.00 0.00 WT2 O ATOM 35081 H1 TIP3 8553 2.252 -11.796 -1.403 1.00 0.00 WT2 H ATOM 35082 H2 TIP3 8553 -5.765 3.350 -7.860 1.00 0.00 WT2 H ATOM 35083 OH2 TIP3 8554 0.552 1.965 2.148 1.00 0.00 WT2 O ATOM 35084 H1 TIP3 8554 17.777 1.006 2.724 1.00 0.00 WT2 H ATOM 35085 H2 TIP3 8554 28.084 -0.827 1.813 1.00 0.00 WT2 H ATOM 35086 OH2 TIP3 8556 5.854 0.498 -0.634 1.00 0.00 WT2 O ATOM 35087 H1 TIP3 8556 12.381 1.731 -13.677 1.00 0.00 WT2 H ATOM 35088 H2 TIP3 8556 13.749 -18.341 -16.377 1.00 0.00 WT2 H ATOM 35089 OH2 TIP3 8558 2.680 3.269 0.405 1.00 0.00 WT2 O ATOM 35090 H1 TIP3 8558 6.383 9.173 -3.702 1.00 0.00 WT2 H ATOM 35091 H2 TIP3 8558 -12.150 14.583 -11.407 1.00 0.00 WT2 H ATOM 35092 OH2 TIP3 8571 -0.890 5.977 0.770 1.00 0.00 WT2 O ATOM 35093 H1 TIP3 8571 7.718 -12.604 -34.266 1.00 0.00 WT2 H ATOM 35094 H2 TIP3 8571 -6.267 8.983 9.281 1.00 0.00 WT2 H ATOM 35095 OH2 TIP3 8572 3.464 6.874 -4.894 1.00 0.00 WT2 O ATOM 35096 H1 TIP3 8572 -29.100 12.779 -12.291 1.00 0.00 WT2 H ATOM 35097 H2 TIP3 8572 2.117 13.751 0.054 1.00 0.00 WT2 H ATOM 35098 OH2 TIP3 8573 -4.987 2.121 -10.190 1.00 0.00 WT2 O ATOM 35099 H1 TIP3 8573 2.597 16.095 -29.968 1.00 0.00 WT2 H ATOM 35100 H2 TIP3 8573 -8.198 -3.949 -0.371 1.00 0.00 WT2 H ATOM 35101 OH2 TIP3 8574 5.222 -0.635 -4.586 1.00 0.00 WT2 O ATOM 35102 H1 TIP3 8574 0.429 8.820 3.183 1.00 0.00 WT2 H ATOM 35103 H2 TIP3 8574 5.952 0.723 -3.973 1.00 0.00 WT2 H ATOM 35104 OH2 TIP3 8576 2.710 -1.998 -7.858 1.00 0.00 WT2 O ATOM 35105 H1 TIP3 8576 -4.177 12.593 -5.002 1.00 0.00 WT2 H ATOM 35106 H2 TIP3 8576 -6.187 -5.129 -7.966 1.00 0.00 WT2 H ATOM 35107 OH2 TIP3 8589 -2.441 -0.565 1.926 1.00 0.00 WT2 O ATOM 35108 H1 TIP3 8589 3.106 6.896 -11.173 1.00 0.00 WT2 H ATOM 35109 H2 TIP3 8589 6.438 -25.429 5.325 1.00 0.00 WT2 H ATOM 35110 OH2 TIP3 8590 -9.148 -5.621 -3.776 1.00 0.00 WT2 O ATOM 35111 H1 TIP3 8590 -22.603 -27.920 -0.035 1.00 0.00 WT2 H ATOM 35112 H2 TIP3 8590 1.665 6.683 -11.150 1.00 0.00 WT2 H ATOM 35113 OH2 TIP3 8592 3.966 -1.478 -1.161 1.00 0.00 WT2 O ATOM 35114 H1 TIP3 8592 1.629 5.456 -9.129 1.00 0.00 WT2 H ATOM 35115 H2 TIP3 8592 -2.586 17.749 -22.471 1.00 0.00 WT2 H ATOM 35116 OH2 TIP3 8593 1.817 6.888 9.205 1.00 0.00 WT2 O ATOM 35117 H1 TIP3 8593 38.543 6.929 -20.314 1.00 0.00 WT2 H ATOM 35118 H2 TIP3 8593 -2.694 6.953 -10.526 1.00 0.00 WT2 H ATOM 35119 OH2 TIP3 8594 -5.726 -3.257 3.240 1.00 0.00 WT2 O ATOM 35120 H1 TIP3 8594 1.271 4.098 0.108 1.00 0.00 WT2 H ATOM 35121 H2 TIP3 8594 -7.818 -6.261 5.340 1.00 0.00 WT2 H ATOM 35122 OH2 TIP3 8611 -2.909 2.162 -3.514 1.00 0.00 WT2 O ATOM 35123 H1 TIP3 8611 -26.162 -3.455 20.923 1.00 0.00 WT2 H ATOM 35124 H2 TIP3 8611 8.036 5.400 -15.784 1.00 0.00 WT2 H ATOM 35125 OH2 TIP3 8613 -0.805 5.647 -3.012 1.00 0.00 WT2 O ATOM 35126 H1 TIP3 8613 -4.970 -6.527 -18.139 1.00 0.00 WT2 H ATOM 35127 H2 TIP3 8613 -5.212 27.141 -10.640 1.00 0.00 WT2 H ATOM 35128 OH2 TIP3 8616 -1.717 -0.801 -1.177 1.00 0.00 WT2 O ATOM 35129 H1 TIP3 8616 -17.820 13.245 -10.040 1.00 0.00 WT2 H ATOM 35130 H2 TIP3 8616 11.423 -2.556 12.359 1.00 0.00 WT2 H ATOM 35131 OH2 TIP3 8617 3.079 1.997 -3.448 1.00 0.00 WT2 O ATOM 35132 H1 TIP3 8617 -0.099 -3.354 -5.049 1.00 0.00 WT2 H ATOM 35133 H2 TIP3 8617 -12.099 -5.800 -9.312 1.00 0.00 WT2 H ATOM 35134 OH2 TIP3 8618 1.795 1.969 2.576 1.00 0.00 WT2 O ATOM 35135 H1 TIP3 8618 10.187 5.394 -16.045 1.00 0.00 WT2 H ATOM 35136 H2 TIP3 8618 -26.139 4.235 -10.318 1.00 0.00 WT2 H ATOM 35137 OH2 TIP3 8619 -2.635 3.636 -0.620 1.00 0.00 WT2 O ATOM 35138 H1 TIP3 8619 -13.276 5.731 -0.145 1.00 0.00 WT2 H ATOM 35139 H2 TIP3 8619 7.738 -0.247 7.988 1.00 0.00 WT2 H ATOM 35140 OH2 TIP3 8631 -1.920 -0.974 -4.147 1.00 0.00 WT2 O ATOM 35141 H1 TIP3 8631 5.745 10.132 0.283 1.00 0.00 WT2 H ATOM 35142 H2 TIP3 8631 -5.682 -7.386 -9.389 1.00 0.00 WT2 H ATOM 35143 OH2 TIP3 8632 1.298 -0.634 -7.459 1.00 0.00 WT2 O ATOM 35144 H1 TIP3 8632 10.464 -1.540 -20.665 1.00 0.00 WT2 H ATOM 35145 H2 TIP3 8632 10.855 2.810 -0.727 1.00 0.00 WT2 H ATOM 35146 OH2 TIP3 8633 2.289 4.730 6.978 1.00 0.00 WT2 O ATOM 35147 H1 TIP3 8633 -11.479 -2.587 8.369 1.00 0.00 WT2 H ATOM 35148 H2 TIP3 8633 1.747 2.300 23.321 1.00 0.00 WT2 H ATOM 35149 OH2 TIP3 8634 6.227 2.680 -1.803 1.00 0.00 WT2 O ATOM 35150 H1 TIP3 8634 8.225 -15.369 -1.862 1.00 0.00 WT2 H ATOM 35151 H2 TIP3 8634 5.566 5.884 -5.643 1.00 0.00 WT2 H ATOM 35152 OH2 TIP3 8636 -7.073 0.180 -4.433 1.00 0.00 WT2 O ATOM 35153 H1 TIP3 8636 2.985 -2.992 5.140 1.00 0.00 WT2 H ATOM 35154 H2 TIP3 8636 12.885 9.313 -5.141 1.00 0.00 WT2 H ATOM 35155 OH2 TIP3 8638 5.653 -2.633 -5.356 1.00 0.00 WT2 O ATOM 35156 H1 TIP3 8638 4.141 -0.955 -22.810 1.00 0.00 WT2 H ATOM 35157 H2 TIP3 8638 11.217 -10.371 -11.287 1.00 0.00 WT2 H ATOM 35158 OH2 TIP3 8640 5.794 -10.259 -2.664 1.00 0.00 WT2 O ATOM 35159 H1 TIP3 8640 10.202 -9.460 3.738 1.00 0.00 WT2 H ATOM 35160 H2 TIP3 8640 12.827 15.397 -11.494 1.00 0.00 WT2 H ATOM 35161 OH2 TIP3 8653 0.008 -1.631 -1.427 1.00 0.00 WT2 O ATOM 35162 H1 TIP3 8653 8.568 -2.467 1.060 1.00 0.00 WT2 H ATOM 35163 H2 TIP3 8653 13.701 10.212 -23.085 1.00 0.00 WT2 H ATOM 35164 OH2 TIP3 8654 4.875 2.125 -0.119 1.00 0.00 WT2 O ATOM 35165 H1 TIP3 8654 -13.978 -7.002 0.755 1.00 0.00 WT2 H ATOM 35166 H2 TIP3 8654 0.088 -22.121 16.929 1.00 0.00 WT2 H ATOM 35167 OH2 TIP3 8655 -1.671 -3.081 1.782 1.00 0.00 WT2 O ATOM 35168 H1 TIP3 8655 2.665 12.660 11.364 1.00 0.00 WT2 H ATOM 35169 H2 TIP3 8655 -1.196 -3.313 0.964 1.00 0.00 WT2 H ATOM 35170 OH2 TIP3 8656 -2.405 1.396 -5.958 1.00 0.00 WT2 O ATOM 35171 H1 TIP3 8656 -3.136 -6.046 3.109 1.00 0.00 WT2 H ATOM 35172 H2 TIP3 8656 5.524 3.725 -3.975 1.00 0.00 WT2 H ATOM 35173 OH2 TIP3 8657 -6.679 -0.138 -3.274 1.00 0.00 WT2 O ATOM 35174 H1 TIP3 8657 -3.925 18.480 -5.506 1.00 0.00 WT2 H ATOM 35175 H2 TIP3 8657 -9.833 5.993 0.903 1.00 0.00 WT2 H ATOM 35176 OH2 TIP3 8659 -4.176 4.291 2.597 1.00 0.00 WT2 O ATOM 35177 H1 TIP3 8659 -5.264 4.042 3.462 1.00 0.00 WT2 H ATOM 35178 H2 TIP3 8659 -5.072 2.456 3.156 1.00 0.00 WT2 H ATOM 35179 OH2 TIP3 8660 6.175 0.431 -0.790 1.00 0.00 WT2 O ATOM 35180 H1 TIP3 8660 -0.554 4.334 -4.431 1.00 0.00 WT2 H ATOM 35181 H2 TIP3 8660 18.895 -0.085 -6.828 1.00 0.00 WT2 H ATOM 35182 OH2 TIP3 8662 1.121 -3.543 6.194 1.00 0.00 WT2 O ATOM 35183 H1 TIP3 8662 -0.345 12.007 7.237 1.00 0.00 WT2 H ATOM 35184 H2 TIP3 8662 3.096 -13.158 -6.717 1.00 0.00 WT2 H ATOM 35185 OH2 TIP3 8675 -1.033 -2.446 -0.952 1.00 0.00 WT2 O ATOM 35186 H1 TIP3 8675 -9.181 -2.648 -5.305 1.00 0.00 WT2 H ATOM 35187 H2 TIP3 8675 -13.712 -0.505 -4.432 1.00 0.00 WT2 H ATOM 35188 OH2 TIP3 8676 0.163 -9.572 1.672 1.00 0.00 WT2 O ATOM 35189 H1 TIP3 8676 16.187 15.617 15.584 1.00 0.00 WT2 H ATOM 35190 H2 TIP3 8676 -1.399 21.398 -12.433 1.00 0.00 WT2 H ATOM 35191 OH2 TIP3 8677 -1.601 -0.788 5.412 1.00 0.00 WT2 O ATOM 35192 H1 TIP3 8677 22.852 16.040 -8.971 1.00 0.00 WT2 H ATOM 35193 H2 TIP3 8677 -13.735 18.813 -12.899 1.00 0.00 WT2 H ATOM 35194 OH2 TIP3 8678 3.036 -0.866 -2.400 1.00 0.00 WT2 O ATOM 35195 H1 TIP3 8678 0.067 -9.479 -12.341 1.00 0.00 WT2 H ATOM 35196 H2 TIP3 8678 -4.909 3.666 -7.253 1.00 0.00 WT2 H ATOM 35197 OH2 TIP3 8679 4.035 -2.204 -0.583 1.00 0.00 WT2 O ATOM 35198 H1 TIP3 8679 8.652 -0.313 6.896 1.00 0.00 WT2 H ATOM 35199 H2 TIP3 8679 5.576 13.560 1.214 1.00 0.00 WT2 H ATOM 35200 OH2 TIP3 8681 3.848 -1.254 -0.840 1.00 0.00 WT2 O ATOM 35201 H1 TIP3 8681 16.973 8.486 18.414 1.00 0.00 WT2 H ATOM 35202 H2 TIP3 8681 7.157 2.044 2.965 1.00 0.00 WT2 H ATOM 35203 OH2 TIP3 8682 -0.330 -1.358 4.925 1.00 0.00 WT2 O ATOM 35204 H1 TIP3 8682 -4.295 -2.214 -17.291 1.00 0.00 WT2 H ATOM 35205 H2 TIP3 8682 16.350 -6.319 -6.781 1.00 0.00 WT2 H ATOM 35206 OH2 TIP3 8683 -1.241 5.062 3.447 1.00 0.00 WT2 O ATOM 35207 H1 TIP3 8683 -24.248 11.800 -1.275 1.00 0.00 WT2 H ATOM 35208 H2 TIP3 8683 13.445 5.952 6.842 1.00 0.00 WT2 H ATOM 35209 OH2 TIP3 8684 -2.311 1.749 1.890 1.00 0.00 WT2 O ATOM 35210 H1 TIP3 8684 6.611 -1.043 0.949 1.00 0.00 WT2 H ATOM 35211 H2 TIP3 8684 8.201 -1.949 -12.446 1.00 0.00 WT2 H ATOM 35212 OH2 TIP3 8691 -1.197 2.848 0.407 1.00 0.00 WT2 O ATOM 35213 H1 TIP3 8691 -2.762 8.760 4.796 1.00 0.00 WT2 H ATOM 35214 H2 TIP3 8691 -6.842 3.190 -5.822 1.00 0.00 WT2 H ATOM 35215 OH2 TIP3 8694 -3.491 -1.379 6.314 1.00 0.00 WT2 O ATOM 35216 H1 TIP3 8694 17.914 -9.156 -3.421 1.00 0.00 WT2 H ATOM 35217 H2 TIP3 8694 0.766 -4.186 32.966 1.00 0.00 WT2 H ATOM 35218 OH2 TIP3 8695 -2.213 4.479 3.919 1.00 0.00 WT2 O ATOM 35219 H1 TIP3 8695 -4.695 10.137 -7.752 1.00 0.00 WT2 H ATOM 35220 H2 TIP3 8695 -25.021 10.587 9.968 1.00 0.00 WT2 H ATOM 35221 OH2 TIP3 8696 2.316 2.350 -5.234 1.00 0.00 WT2 O ATOM 35222 H1 TIP3 8696 0.658 -11.566 -10.958 1.00 0.00 WT2 H ATOM 35223 H2 TIP3 8696 -0.067 17.697 22.210 1.00 0.00 WT2 H ATOM 35224 OH2 TIP3 8697 1.881 5.039 2.012 1.00 0.00 WT2 O ATOM 35225 H1 TIP3 8697 2.926 -16.404 5.590 1.00 0.00 WT2 H ATOM 35226 H2 TIP3 8697 -18.358 -32.470 -16.062 1.00 0.00 WT2 H ATOM 35227 OH2 TIP3 8699 0.823 5.289 -2.153 1.00 0.00 WT2 O ATOM 35228 H1 TIP3 8699 14.804 -2.767 1.685 1.00 0.00 WT2 H ATOM 35229 H2 TIP3 8699 9.033 -9.046 -26.630 1.00 0.00 WT2 H ATOM 35230 OH2 TIP3 8700 -2.839 5.629 -4.515 1.00 0.00 WT2 O ATOM 35231 H1 TIP3 8700 -4.234 38.519 14.419 1.00 0.00 WT2 H ATOM 35232 H2 TIP3 8700 -2.598 -18.948 -5.281 1.00 0.00 WT2 H ATOM 35233 OH2 TIP3 8702 -10.528 -4.522 -8.259 1.00 0.00 WT2 O ATOM 35234 H1 TIP3 8702 -9.776 -7.748 -6.714 1.00 0.00 WT2 H ATOM 35235 H2 TIP3 8702 -8.587 -6.456 -6.730 1.00 0.00 WT2 H ATOM 35236 OH2 TIP3 8704 1.054 -6.175 -2.580 1.00 0.00 WT2 O ATOM 35237 H1 TIP3 8704 -3.482 10.539 -8.675 1.00 0.00 WT2 H ATOM 35238 H2 TIP3 8704 -2.211 -4.391 6.478 1.00 0.00 WT2 H ATOM 35239 OH2 TIP3 8715 -0.822 -7.086 1.698 1.00 0.00 WT2 O ATOM 35240 H1 TIP3 8715 -11.167 2.381 4.283 1.00 0.00 WT2 H ATOM 35241 H2 TIP3 8715 6.603 -6.734 27.966 1.00 0.00 WT2 H ATOM 35242 OH2 TIP3 8716 -0.369 3.565 5.443 1.00 0.00 WT2 O ATOM 35243 H1 TIP3 8716 4.819 8.983 0.490 1.00 0.00 WT2 H ATOM 35244 H2 TIP3 8716 -8.019 13.153 8.581 1.00 0.00 WT2 H ATOM 35245 OH2 TIP3 8717 -2.843 0.801 0.273 1.00 0.00 WT2 O ATOM 35246 H1 TIP3 8717 7.973 -35.298 8.527 1.00 0.00 WT2 H ATOM 35247 H2 TIP3 8717 5.822 -2.922 -14.774 1.00 0.00 WT2 H ATOM 35248 OH2 TIP3 8718 4.449 1.164 4.825 1.00 0.00 WT2 O ATOM 35249 H1 TIP3 8718 21.502 -7.681 5.499 1.00 0.00 WT2 H ATOM 35250 H2 TIP3 8718 -6.055 -8.774 -5.727 1.00 0.00 WT2 H ATOM 35251 OH2 TIP3 8720 -2.186 6.434 0.486 1.00 0.00 WT2 O ATOM 35252 H1 TIP3 8720 -22.121 21.479 -12.170 1.00 0.00 WT2 H ATOM 35253 H2 TIP3 8720 11.944 17.505 -0.484 1.00 0.00 WT2 H ATOM 35254 OH2 TIP3 8721 -4.774 -1.444 1.498 1.00 0.00 WT2 O ATOM 35255 H1 TIP3 8721 3.630 -8.575 13.318 1.00 0.00 WT2 H ATOM 35256 H2 TIP3 8721 6.460 -10.199 14.885 1.00 0.00 WT2 H ATOM 35257 OH2 TIP3 8722 -2.714 -1.820 -2.173 1.00 0.00 WT2 O ATOM 35258 H1 TIP3 8722 -4.056 -4.042 0.367 1.00 0.00 WT2 H ATOM 35259 H2 TIP3 8722 1.261 2.860 -10.790 1.00 0.00 WT2 H ATOM 35260 OH2 TIP3 8737 1.474 -4.393 -2.804 1.00 0.00 WT2 O ATOM 35261 H1 TIP3 8737 -0.307 -9.342 -3.057 1.00 0.00 WT2 H ATOM 35262 H2 TIP3 8737 -11.132 -12.173 3.923 1.00 0.00 WT2 H ATOM 35263 OH2 TIP3 8739 -4.835 2.828 -2.298 1.00 0.00 WT2 O ATOM 35264 H1 TIP3 8739 -8.386 -1.643 -23.207 1.00 0.00 WT2 H ATOM 35265 H2 TIP3 8739 2.282 -12.030 -2.643 1.00 0.00 WT2 H ATOM 35266 OH2 TIP3 8740 0.171 -2.515 -4.620 1.00 0.00 WT2 O ATOM 35267 H1 TIP3 8740 3.588 -9.256 -4.702 1.00 0.00 WT2 H ATOM 35268 H2 TIP3 8740 -12.756 3.917 -19.567 1.00 0.00 WT2 H ATOM 35269 OH2 TIP3 8741 6.158 2.486 2.527 1.00 0.00 WT2 O ATOM 35270 H1 TIP3 8741 5.210 -0.012 4.247 1.00 0.00 WT2 H ATOM 35271 H2 TIP3 8741 6.366 -14.128 24.740 1.00 0.00 WT2 H ATOM 35272 OH2 TIP3 8742 0.544 -0.400 -4.154 1.00 0.00 WT2 O ATOM 35273 H1 TIP3 8742 15.722 10.276 17.937 1.00 0.00 WT2 H ATOM 35274 H2 TIP3 8742 10.434 2.992 9.581 1.00 0.00 WT2 H ATOM 35275 OH2 TIP3 8743 -0.006 -4.231 -5.901 1.00 0.00 WT2 O ATOM 35276 H1 TIP3 8743 -3.081 -8.631 -8.842 1.00 0.00 WT2 H ATOM 35277 H2 TIP3 8743 13.315 -16.425 19.091 1.00 0.00 WT2 H ATOM 35278 OH2 TIP3 8744 -2.131 -1.273 -0.091 1.00 0.00 WT2 O ATOM 35279 H1 TIP3 8744 5.255 4.318 -15.489 1.00 0.00 WT2 H ATOM 35280 H2 TIP3 8744 5.792 4.542 13.569 1.00 0.00 WT2 H ATOM 35281 OH2 TIP3 8746 -4.116 2.436 2.953 1.00 0.00 WT2 O ATOM 35282 H1 TIP3 8746 -0.315 15.114 -1.345 1.00 0.00 WT2 H ATOM 35283 H2 TIP3 8746 1.093 17.224 -1.561 1.00 0.00 WT2 H ATOM 35284 OH2 TIP3 8754 2.781 5.260 -5.641 1.00 0.00 WT2 O ATOM 35285 H1 TIP3 8754 7.552 -1.972 -16.292 1.00 0.00 WT2 H ATOM 35286 H2 TIP3 8754 13.403 -5.385 -0.993 1.00 0.00 WT2 H ATOM 35287 OH2 TIP3 8757 -1.558 -0.470 -0.133 1.00 0.00 WT2 O ATOM 35288 H1 TIP3 8757 3.510 -5.204 -4.812 1.00 0.00 WT2 H ATOM 35289 H2 TIP3 8757 0.827 -3.209 -2.501 1.00 0.00 WT2 H ATOM 35290 OH2 TIP3 8759 -1.114 -1.054 -6.879 1.00 0.00 WT2 O ATOM 35291 H1 TIP3 8759 13.629 9.320 -10.550 1.00 0.00 WT2 H ATOM 35292 H2 TIP3 8759 -2.706 2.584 -16.070 1.00 0.00 WT2 H ATOM 35293 OH2 TIP3 8760 -1.640 -4.802 2.016 1.00 0.00 WT2 O ATOM 35294 H1 TIP3 8760 6.476 -7.034 16.783 1.00 0.00 WT2 H ATOM 35295 H2 TIP3 8760 13.869 -3.655 1.627 1.00 0.00 WT2 H ATOM 35296 OH2 TIP3 8761 -2.424 -0.509 2.458 1.00 0.00 WT2 O ATOM 35297 H1 TIP3 8761 -10.458 0.346 4.911 1.00 0.00 WT2 H ATOM 35298 H2 TIP3 8761 26.316 -11.868 29.221 1.00 0.00 WT2 H ATOM 35299 OH2 TIP3 8763 -1.467 -2.133 -5.304 1.00 0.00 WT2 O ATOM 35300 H1 TIP3 8763 -6.181 -27.075 -10.929 1.00 0.00 WT2 H ATOM 35301 H2 TIP3 8763 -11.244 4.911 15.386 1.00 0.00 WT2 H ATOM 35302 OH2 TIP3 8764 -1.585 -2.884 1.075 1.00 0.00 WT2 O ATOM 35303 H1 TIP3 8764 -13.218 -6.150 9.145 1.00 0.00 WT2 H ATOM 35304 H2 TIP3 8764 11.849 0.474 -9.027 1.00 0.00 WT2 H ATOM 35305 OH2 TIP3 8767 4.297 -2.913 3.147 1.00 0.00 WT2 O ATOM 35306 H1 TIP3 8767 0.920 -17.544 2.877 1.00 0.00 WT2 H ATOM 35307 H2 TIP3 8767 -2.114 2.451 17.203 1.00 0.00 WT2 H ATOM 35308 OH2 TIP3 8777 3.255 -4.604 -4.860 1.00 0.00 WT2 O ATOM 35309 H1 TIP3 8777 4.075 8.153 15.927 1.00 0.00 WT2 H ATOM 35310 H2 TIP3 8777 2.181 10.542 15.610 1.00 0.00 WT2 H ATOM 35311 OH2 TIP3 8778 0.789 -3.923 0.003 1.00 0.00 WT2 O ATOM 35312 H1 TIP3 8778 -5.851 -10.156 -11.435 1.00 0.00 WT2 H ATOM 35313 H2 TIP3 8778 3.996 -12.065 11.952 1.00 0.00 WT2 H ATOM 35314 OH2 TIP3 8780 -0.176 1.637 2.297 1.00 0.00 WT2 O ATOM 35315 H1 TIP3 8780 -20.625 2.862 26.606 1.00 0.00 WT2 H ATOM 35316 H2 TIP3 8780 2.935 5.840 14.636 1.00 0.00 WT2 H ATOM 35317 OH2 TIP3 8783 0.241 -2.782 -6.967 1.00 0.00 WT2 O ATOM 35318 H1 TIP3 8783 -14.039 -1.806 -8.963 1.00 0.00 WT2 H ATOM 35319 H2 TIP3 8783 -19.989 10.399 5.034 1.00 0.00 WT2 H ATOM 35320 OH2 TIP3 8785 -5.110 -5.208 -1.763 1.00 0.00 WT2 O ATOM 35321 H1 TIP3 8785 -2.727 -13.495 -10.416 1.00 0.00 WT2 H ATOM 35322 H2 TIP3 8785 -11.356 10.603 8.562 1.00 0.00 WT2 H ATOM 35323 OH2 TIP3 8786 4.882 -5.620 7.184 1.00 0.00 WT2 O ATOM 35324 H1 TIP3 8786 -3.507 -6.410 8.426 1.00 0.00 WT2 H ATOM 35325 H2 TIP3 8786 -12.334 -4.433 19.325 1.00 0.00 WT2 H ATOM 35326 OH2 TIP3 8787 5.711 1.915 -6.566 1.00 0.00 WT2 O ATOM 35327 H1 TIP3 8787 1.510 10.369 -12.695 1.00 0.00 WT2 H ATOM 35328 H2 TIP3 8787 18.373 1.360 -5.121 1.00 0.00 WT2 H ATOM 35329 OH2 TIP3 8790 -1.632 3.039 5.904 1.00 0.00 WT2 O ATOM 35330 H1 TIP3 8790 -3.109 -0.772 5.303 1.00 0.00 WT2 H ATOM 35331 H2 TIP3 8790 -9.754 27.164 -8.616 1.00 0.00 WT2 H ATOM 35332 OH2 TIP3 8797 -1.666 1.397 -5.286 1.00 0.00 WT2 O ATOM 35333 H1 TIP3 8797 3.539 9.971 -23.286 1.00 0.00 WT2 H ATOM 35334 H2 TIP3 8797 -11.285 8.409 -2.876 1.00 0.00 WT2 H ATOM 35335 OH2 TIP3 8800 -2.321 3.645 6.561 1.00 0.00 WT2 O ATOM 35336 H1 TIP3 8800 4.951 2.138 7.005 1.00 0.00 WT2 H ATOM 35337 H2 TIP3 8800 -27.200 4.297 6.598 1.00 0.00 WT2 H ATOM 35338 OH2 TIP3 8801 4.360 4.077 -0.070 1.00 0.00 WT2 O ATOM 35339 H1 TIP3 8801 -4.855 8.879 -7.306 1.00 0.00 WT2 H ATOM 35340 H2 TIP3 8801 8.761 2.227 1.281 1.00 0.00 WT2 H ATOM 35341 OH2 TIP3 8802 1.928 -1.284 -7.100 1.00 0.00 WT2 O ATOM 35342 H1 TIP3 8802 8.790 3.241 19.848 1.00 0.00 WT2 H ATOM 35343 H2 TIP3 8802 -4.369 -8.569 -0.211 1.00 0.00 WT2 H ATOM 35344 OH2 TIP3 8803 2.515 0.879 4.039 1.00 0.00 WT2 O ATOM 35345 H1 TIP3 8803 0.148 -4.066 -1.053 1.00 0.00 WT2 H ATOM 35346 H2 TIP3 8803 9.809 -2.824 4.227 1.00 0.00 WT2 H ATOM 35347 OH2 TIP3 8804 -3.568 2.161 1.742 1.00 0.00 WT2 O ATOM 35348 H1 TIP3 8804 2.090 0.793 -5.934 1.00 0.00 WT2 H ATOM 35349 H2 TIP3 8804 10.436 -12.806 -1.276 1.00 0.00 WT2 H ATOM 35350 OH2 TIP3 8806 -6.133 -5.701 -2.198 1.00 0.00 WT2 O ATOM 35351 H1 TIP3 8806 -2.952 8.963 -10.452 1.00 0.00 WT2 H ATOM 35352 H2 TIP3 8806 0.473 -5.570 11.352 1.00 0.00 WT2 H ATOM 35353 OH2 TIP3 8808 0.043 0.274 -2.161 1.00 0.00 WT2 O ATOM 35354 H1 TIP3 8808 -10.408 -0.669 -4.358 1.00 0.00 WT2 H ATOM 35355 H2 TIP3 8808 -17.293 -1.279 -5.767 1.00 0.00 WT2 H ATOM 35356 OH2 TIP3 8809 6.885 -5.712 -1.018 1.00 0.00 WT2 O ATOM 35357 H1 TIP3 8809 8.702 -1.297 -5.584 1.00 0.00 WT2 H ATOM 35358 H2 TIP3 8809 12.306 -2.977 6.685 1.00 0.00 WT2 H ATOM 35359 OH2 TIP3 8811 0.395 5.043 7.253 1.00 0.00 WT2 O ATOM 35360 H1 TIP3 8811 -16.454 -6.407 4.886 1.00 0.00 WT2 H ATOM 35361 H2 TIP3 8811 -2.399 34.500 21.126 1.00 0.00 WT2 H ATOM 35362 OH2 TIP3 8819 3.048 0.613 3.644 1.00 0.00 WT2 O ATOM 35363 H1 TIP3 8819 -8.524 -4.817 16.849 1.00 0.00 WT2 H ATOM 35364 H2 TIP3 8819 3.725 -4.378 7.043 1.00 0.00 WT2 H ATOM 35365 OH2 TIP3 8820 -7.909 -2.005 7.493 1.00 0.00 WT2 O ATOM 35366 H1 TIP3 8820 1.998 1.894 5.127 1.00 0.00 WT2 H ATOM 35367 H2 TIP3 8820 2.070 6.787 1.554 1.00 0.00 WT2 H ATOM 35368 OH2 TIP3 8822 -4.610 -0.448 -5.687 1.00 0.00 WT2 O ATOM 35369 H1 TIP3 8822 1.003 -5.887 -13.394 1.00 0.00 WT2 H ATOM 35370 H2 TIP3 8822 1.609 8.043 3.844 1.00 0.00 WT2 H ATOM 35371 OH2 TIP3 8823 -4.397 3.868 -4.469 1.00 0.00 WT2 O ATOM 35372 H1 TIP3 8823 10.114 21.477 9.398 1.00 0.00 WT2 H ATOM 35373 H2 TIP3 8823 5.802 -1.024 -11.243 1.00 0.00 WT2 H ATOM 35374 OH2 TIP3 8827 7.104 -3.292 4.264 1.00 0.00 WT2 O ATOM 35375 H1 TIP3 8827 4.163 -5.447 -0.905 1.00 0.00 WT2 H ATOM 35376 H2 TIP3 8827 1.502 -18.891 -2.811 1.00 0.00 WT2 H ATOM 35377 OH2 TIP3 8829 -5.601 3.520 -4.499 1.00 0.00 WT2 O ATOM 35378 H1 TIP3 8829 12.678 7.457 3.299 1.00 0.00 WT2 H ATOM 35379 H2 TIP3 8829 4.834 -6.249 -25.943 1.00 0.00 WT2 H ATOM 35380 OH2 TIP3 8830 4.440 5.055 2.612 1.00 0.00 WT2 O ATOM 35381 H1 TIP3 8830 5.483 14.848 19.189 1.00 0.00 WT2 H ATOM 35382 H2 TIP3 8830 -14.988 2.771 -0.364 1.00 0.00 WT2 H ATOM 35383 OH2 TIP3 8842 -2.644 7.308 3.827 1.00 0.00 WT2 O ATOM 35384 H1 TIP3 8842 -2.908 7.996 3.329 1.00 0.00 WT2 H ATOM 35385 H2 TIP3 8842 2.430 5.120 0.974 1.00 0.00 WT2 H ATOM 35386 OH2 TIP3 8843 -4.873 -2.980 -3.148 1.00 0.00 WT2 O ATOM 35387 H1 TIP3 8843 -20.371 16.183 6.620 1.00 0.00 WT2 H ATOM 35388 H2 TIP3 8843 7.542 1.981 10.129 1.00 0.00 WT2 H ATOM 35389 OH2 TIP3 8844 1.517 1.637 -3.696 1.00 0.00 WT2 O ATOM 35390 H1 TIP3 8844 -26.732 -5.618 -1.883 1.00 0.00 WT2 H ATOM 35391 H2 TIP3 8844 -5.205 -5.313 -6.450 1.00 0.00 WT2 H ATOM 35392 OH2 TIP3 8845 -2.685 2.881 -1.328 1.00 0.00 WT2 O ATOM 35393 H1 TIP3 8845 -0.619 1.350 0.562 1.00 0.00 WT2 H ATOM 35394 H2 TIP3 8845 -1.417 3.488 -6.367 1.00 0.00 WT2 H ATOM 35395 OH2 TIP3 8846 -1.557 -7.900 -0.978 1.00 0.00 WT2 O ATOM 35396 H1 TIP3 8846 0.040 -15.963 8.768 1.00 0.00 WT2 H ATOM 35397 H2 TIP3 8846 11.888 -10.347 -1.970 1.00 0.00 WT2 H ATOM 35398 OH2 TIP3 8847 -4.947 3.178 3.373 1.00 0.00 WT2 O ATOM 35399 H1 TIP3 8847 -22.413 9.343 19.487 1.00 0.00 WT2 H ATOM 35400 H2 TIP3 8847 -6.175 4.255 5.884 1.00 0.00 WT2 H ATOM 35401 OH2 TIP3 8849 -2.987 3.260 3.179 1.00 0.00 WT2 O ATOM 35402 H1 TIP3 8849 -10.336 7.339 0.137 1.00 0.00 WT2 H ATOM 35403 H2 TIP3 8849 -2.485 -7.910 6.731 1.00 0.00 WT2 H ATOM 35404 OH2 TIP3 8863 6.084 0.095 1.497 1.00 0.00 WT2 O ATOM 35405 H1 TIP3 8863 9.357 -5.109 -12.576 1.00 0.00 WT2 H ATOM 35406 H2 TIP3 8863 15.463 6.272 5.442 1.00 0.00 WT2 H ATOM 35407 OH2 TIP3 8865 -4.314 -0.107 1.155 1.00 0.00 WT2 O ATOM 35408 H1 TIP3 8865 -13.993 -0.414 -4.569 1.00 0.00 WT2 H ATOM 35409 H2 TIP3 8865 5.415 11.327 1.567 1.00 0.00 WT2 H ATOM 35410 OH2 TIP3 8866 -1.093 4.169 -0.765 1.00 0.00 WT2 O ATOM 35411 H1 TIP3 8866 -0.986 9.138 7.783 1.00 0.00 WT2 H ATOM 35412 H2 TIP3 8866 -5.943 -5.330 14.401 1.00 0.00 WT2 H ATOM 35413 OH2 TIP3 8867 -0.186 -6.435 -7.413 1.00 0.00 WT2 O ATOM 35414 H1 TIP3 8867 -23.583 -8.699 18.847 1.00 0.00 WT2 H ATOM 35415 H2 TIP3 8867 5.820 -19.804 3.199 1.00 0.00 WT2 H ATOM 35416 OH2 TIP3 8868 -4.860 2.043 3.089 1.00 0.00 WT2 O ATOM 35417 H1 TIP3 8868 -27.985 -1.379 -15.374 1.00 0.00 WT2 H ATOM 35418 H2 TIP3 8868 -7.557 7.747 -13.384 1.00 0.00 WT2 H ATOM 35419 OH2 TIP3 8869 -1.827 3.258 -0.397 1.00 0.00 WT2 O ATOM 35420 H1 TIP3 8869 7.438 17.125 0.207 1.00 0.00 WT2 H ATOM 35421 H2 TIP3 8869 -10.720 -16.427 4.674 1.00 0.00 WT2 H ATOM 35422 OH2 TIP3 8883 3.727 -1.945 -2.972 1.00 0.00 WT2 O ATOM 35423 H1 TIP3 8883 -9.594 7.164 -7.003 1.00 0.00 WT2 H ATOM 35424 H2 TIP3 8883 30.310 13.204 9.905 1.00 0.00 WT2 H ATOM 35425 OH2 TIP3 8884 -3.583 5.008 3.430 1.00 0.00 WT2 O ATOM 35426 H1 TIP3 8884 -4.656 6.391 4.105 1.00 0.00 WT2 H ATOM 35427 H2 TIP3 8884 -1.945 5.893 2.639 1.00 0.00 WT2 H ATOM 35428 OH2 TIP3 8885 -1.225 4.535 -4.147 1.00 0.00 WT2 O ATOM 35429 H1 TIP3 8885 -29.394 -21.211 28.030 1.00 0.00 WT2 H ATOM 35430 H2 TIP3 8885 -12.197 -1.555 3.203 1.00 0.00 WT2 H ATOM 35431 OH2 TIP3 8886 -0.613 -3.066 -0.500 1.00 0.00 WT2 O ATOM 35432 H1 TIP3 8886 -22.868 -15.421 -0.593 1.00 0.00 WT2 H ATOM 35433 H2 TIP3 8886 6.120 -11.604 23.932 1.00 0.00 WT2 H ATOM 35434 OH2 TIP3 8887 -5.837 3.000 -2.856 1.00 0.00 WT2 O ATOM 35435 H1 TIP3 8887 1.384 0.341 -5.764 1.00 0.00 WT2 H ATOM 35436 H2 TIP3 8887 -10.639 20.317 7.518 1.00 0.00 WT2 H ATOM 35437 OH2 TIP3 8889 -4.413 2.854 3.899 1.00 0.00 WT2 O ATOM 35438 H1 TIP3 8889 -0.332 3.379 1.120 1.00 0.00 WT2 H ATOM 35439 H2 TIP3 8889 -7.526 2.113 6.848 1.00 0.00 WT2 H ATOM 35440 OH2 TIP3 8890 -3.714 1.409 2.256 1.00 0.00 WT2 O ATOM 35441 H1 TIP3 8890 -5.896 2.930 4.122 1.00 0.00 WT2 H ATOM 35442 H2 TIP3 8890 -7.714 -5.211 6.109 1.00 0.00 WT2 H ATOM 35443 OH2 TIP3 8891 -1.094 3.216 2.695 1.00 0.00 WT2 O ATOM 35444 H1 TIP3 8891 2.796 4.336 2.032 1.00 0.00 WT2 H ATOM 35445 H2 TIP3 8891 -7.007 0.882 1.965 1.00 0.00 WT2 H ATOM 35446 OH2 TIP3 8901 2.857 -1.121 -0.535 1.00 0.00 WT2 O ATOM 35447 H1 TIP3 8901 -26.866 -5.509 3.040 1.00 0.00 WT2 H ATOM 35448 H2 TIP3 8901 -12.904 -9.622 7.323 1.00 0.00 WT2 H ATOM 35449 OH2 TIP3 8903 4.321 4.142 2.750 1.00 0.00 WT2 O ATOM 35450 H1 TIP3 8903 1.486 -6.139 0.503 1.00 0.00 WT2 H ATOM 35451 H2 TIP3 8903 25.262 9.546 -19.370 1.00 0.00 WT2 H ATOM 35452 OH2 TIP3 8905 -3.434 -8.310 2.351 1.00 0.00 WT2 O ATOM 35453 H1 TIP3 8905 4.579 -16.111 -38.851 1.00 0.00 WT2 H ATOM 35454 H2 TIP3 8905 -3.984 -6.129 10.050 1.00 0.00 WT2 H ATOM 35455 OH2 TIP3 8906 5.343 -0.612 1.608 1.00 0.00 WT2 O ATOM 35456 H1 TIP3 8906 4.341 -12.715 5.316 1.00 0.00 WT2 H ATOM 35457 H2 TIP3 8906 5.054 6.112 -0.134 1.00 0.00 WT2 H ATOM 35458 OH2 TIP3 8907 2.461 0.985 -1.040 1.00 0.00 WT2 O ATOM 35459 H1 TIP3 8907 -0.572 2.561 -2.294 1.00 0.00 WT2 H ATOM 35460 H2 TIP3 8907 4.703 1.260 -5.231 1.00 0.00 WT2 H ATOM 35461 OH2 TIP3 8908 -1.803 1.231 -0.195 1.00 0.00 WT2 O ATOM 35462 H1 TIP3 8908 -6.451 3.884 -5.460 1.00 0.00 WT2 H ATOM 35463 H2 TIP3 8908 3.980 2.708 -3.410 1.00 0.00 WT2 H ATOM 35464 OH2 TIP3 8909 -4.730 7.072 -2.980 1.00 0.00 WT2 O ATOM 35465 H1 TIP3 8909 -2.823 4.310 -9.174 1.00 0.00 WT2 H ATOM 35466 H2 TIP3 8909 0.625 -7.117 -5.778 1.00 0.00 WT2 H ATOM 35467 OH2 TIP3 8911 -0.371 -6.394 4.535 1.00 0.00 WT2 O ATOM 35468 H1 TIP3 8911 -8.481 -1.265 9.717 1.00 0.00 WT2 H ATOM 35469 H2 TIP3 8911 13.637 -1.246 -3.473 1.00 0.00 WT2 H ATOM 35470 OH2 TIP3 8913 -5.949 0.134 -2.926 1.00 0.00 WT2 O ATOM 35471 H1 TIP3 8913 -2.493 2.087 15.758 1.00 0.00 WT2 H ATOM 35472 H2 TIP3 8913 27.543 -9.369 1.781 1.00 0.00 WT2 H ATOM 35473 OH2 TIP3 8914 0.845 -3.568 1.598 1.00 0.00 WT2 O ATOM 35474 H1 TIP3 8914 -4.788 21.362 -15.046 1.00 0.00 WT2 H ATOM 35475 H2 TIP3 8914 29.834 1.072 5.574 1.00 0.00 WT2 H ATOM 35476 OH2 TIP3 8925 4.911 -8.405 -2.354 1.00 0.00 WT2 O ATOM 35477 H1 TIP3 8925 7.911 -3.301 11.269 1.00 0.00 WT2 H ATOM 35478 H2 TIP3 8925 11.496 9.964 17.821 1.00 0.00 WT2 H ATOM 35479 OH2 TIP3 8926 3.035 -3.971 3.979 1.00 0.00 WT2 O ATOM 35480 H1 TIP3 8926 6.794 6.197 -11.870 1.00 0.00 WT2 H ATOM 35481 H2 TIP3 8926 -6.482 -10.713 5.657 1.00 0.00 WT2 H ATOM 35482 OH2 TIP3 8927 8.013 -0.153 -5.202 1.00 0.00 WT2 O ATOM 35483 H1 TIP3 8927 -14.907 4.188 -11.433 1.00 0.00 WT2 H ATOM 35484 H2 TIP3 8927 -3.731 1.562 13.958 1.00 0.00 WT2 H ATOM 35485 OH2 TIP3 8929 -1.543 -4.458 2.520 1.00 0.00 WT2 O ATOM 35486 H1 TIP3 8929 -9.079 -11.517 -10.257 1.00 0.00 WT2 H ATOM 35487 H2 TIP3 8929 24.059 -3.440 -16.614 1.00 0.00 WT2 H ATOM 35488 OH2 TIP3 8930 4.953 -0.259 -1.545 1.00 0.00 WT2 O ATOM 35489 H1 TIP3 8930 -5.330 -4.153 -16.225 1.00 0.00 WT2 H ATOM 35490 H2 TIP3 8930 5.877 19.169 5.729 1.00 0.00 WT2 H ATOM 35491 OH2 TIP3 8931 0.475 -9.018 3.390 1.00 0.00 WT2 O ATOM 35492 H1 TIP3 8931 0.583 -6.565 1.080 1.00 0.00 WT2 H ATOM 35493 H2 TIP3 8931 -2.672 -9.625 4.624 1.00 0.00 WT2 H ATOM 35494 OH2 TIP3 8932 -2.885 -1.046 -2.119 1.00 0.00 WT2 O ATOM 35495 H1 TIP3 8932 1.653 -11.634 -2.190 1.00 0.00 WT2 H ATOM 35496 H2 TIP3 8932 0.154 -17.460 -4.620 1.00 0.00 WT2 H ATOM 35497 OH2 TIP3 8935 -1.599 3.182 -0.659 1.00 0.00 WT2 O ATOM 35498 H1 TIP3 8935 -8.252 0.760 11.469 1.00 0.00 WT2 H ATOM 35499 H2 TIP3 8935 -3.173 1.306 -4.085 1.00 0.00 WT2 H ATOM 35500 OH2 TIP3 8944 0.680 6.185 2.525 1.00 0.00 WT2 O ATOM 35501 H1 TIP3 8944 6.194 8.678 2.143 1.00 0.00 WT2 H ATOM 35502 H2 TIP3 8944 -19.183 -4.771 6.526 1.00 0.00 WT2 H ATOM 35503 OH2 TIP3 8949 0.177 -4.449 5.649 1.00 0.00 WT2 O ATOM 35504 H1 TIP3 8949 -10.430 -9.269 -33.912 1.00 0.00 WT2 H ATOM 35505 H2 TIP3 8949 -15.440 -0.785 16.389 1.00 0.00 WT2 H ATOM 35506 OH2 TIP3 8950 1.572 -4.005 1.987 1.00 0.00 WT2 O ATOM 35507 H1 TIP3 8950 -4.397 -2.561 -13.932 1.00 0.00 WT2 H ATOM 35508 H2 TIP3 8950 -5.274 14.422 -29.097 1.00 0.00 WT2 H ATOM 35509 OH2 TIP3 8951 -1.425 -6.560 3.011 1.00 0.00 WT2 O ATOM 35510 H1 TIP3 8951 -35.982 -13.876 11.324 1.00 0.00 WT2 H ATOM 35511 H2 TIP3 8951 12.522 -3.516 3.883 1.00 0.00 WT2 H ATOM 35512 OH2 TIP3 8953 0.497 -5.165 5.337 1.00 0.00 WT2 O ATOM 35513 H1 TIP3 8953 18.675 5.185 -11.019 1.00 0.00 WT2 H ATOM 35514 H2 TIP3 8953 7.441 -0.092 0.797 1.00 0.00 WT2 H ATOM 35515 OH2 TIP3 8954 -4.020 -0.305 -3.209 1.00 0.00 WT2 O ATOM 35516 H1 TIP3 8954 -13.901 -13.326 -3.991 1.00 0.00 WT2 H ATOM 35517 H2 TIP3 8954 31.495 6.035 8.766 1.00 0.00 WT2 H ATOM 35518 OH2 TIP3 8967 2.049 -0.827 -4.327 1.00 0.00 WT2 O ATOM 35519 H1 TIP3 8967 -6.031 -10.098 -0.007 1.00 0.00 WT2 H ATOM 35520 H2 TIP3 8967 7.266 0.113 -13.823 1.00 0.00 WT2 H ATOM 35521 OH2 TIP3 8969 0.274 -0.440 -3.772 1.00 0.00 WT2 O ATOM 35522 H1 TIP3 8969 -6.879 13.816 -1.004 1.00 0.00 WT2 H ATOM 35523 H2 TIP3 8969 -7.406 14.309 4.674 1.00 0.00 WT2 H ATOM 35524 OH2 TIP3 8970 -3.766 -1.828 0.941 1.00 0.00 WT2 O ATOM 35525 H1 TIP3 8970 2.598 43.850 8.045 1.00 0.00 WT2 H ATOM 35526 H2 TIP3 8970 21.045 -16.086 -11.263 1.00 0.00 WT2 H ATOM 35527 OH2 TIP3 8972 7.389 -0.825 -0.411 1.00 0.00 WT2 O ATOM 35528 H1 TIP3 8972 16.414 -4.668 -14.412 1.00 0.00 WT2 H ATOM 35529 H2 TIP3 8972 -1.977 8.151 -1.109 1.00 0.00 WT2 H ATOM 35530 OH2 TIP3 8973 0.530 2.929 0.196 1.00 0.00 WT2 O ATOM 35531 H1 TIP3 8973 7.616 4.408 -21.071 1.00 0.00 WT2 H ATOM 35532 H2 TIP3 8973 -6.362 10.846 33.684 1.00 0.00 WT2 H ATOM 35533 OH2 TIP3 8974 10.295 3.263 3.465 1.00 0.00 WT2 O ATOM 35534 H1 TIP3 8974 14.351 -4.007 11.567 1.00 0.00 WT2 H ATOM 35535 H2 TIP3 8974 12.101 -3.303 -22.628 1.00 0.00 WT2 H ATOM 35536 OH2 TIP3 8975 -0.839 -1.981 4.522 1.00 0.00 WT2 O ATOM 35537 H1 TIP3 8975 10.384 -1.484 -0.351 1.00 0.00 WT2 H ATOM 35538 H2 TIP3 8975 1.884 26.881 -7.153 1.00 0.00 WT2 H ATOM 35539 OH2 TIP3 8976 2.455 -4.944 5.020 1.00 0.00 WT2 O ATOM 35540 H1 TIP3 8976 0.157 0.538 -0.875 1.00 0.00 WT2 H ATOM 35541 H2 TIP3 8976 5.578 -33.188 17.298 1.00 0.00 WT2 H ATOM 35542 OH2 TIP3 8977 1.292 0.391 1.473 1.00 0.00 WT2 O ATOM 35543 H1 TIP3 8977 -6.347 5.906 -1.623 1.00 0.00 WT2 H ATOM 35544 H2 TIP3 8977 3.757 -13.732 2.486 1.00 0.00 WT2 H ATOM 35545 OH2 TIP3 8978 -3.328 -3.378 -2.072 1.00 0.00 WT2 O ATOM 35546 H1 TIP3 8978 5.730 16.070 -1.534 1.00 0.00 WT2 H ATOM 35547 H2 TIP3 8978 -3.306 -3.242 -2.243 1.00 0.00 WT2 H ATOM 35548 OH2 TIP3 8988 -2.924 -0.942 -0.513 1.00 0.00 WT2 O ATOM 35549 H1 TIP3 8988 -8.632 12.269 -0.262 1.00 0.00 WT2 H ATOM 35550 H2 TIP3 8988 6.639 -17.636 11.378 1.00 0.00 WT2 H ATOM 35551 OH2 TIP3 8990 -10.025 1.481 -3.077 1.00 0.00 WT2 O ATOM 35552 H1 TIP3 8990 -26.467 0.410 -11.405 1.00 0.00 WT2 H ATOM 35553 H2 TIP3 8990 -12.442 -5.803 13.854 1.00 0.00 WT2 H ATOM 35554 OH2 TIP3 8991 2.393 -0.221 -1.547 1.00 0.00 WT2 O ATOM 35555 H1 TIP3 8991 -7.542 -7.929 -13.969 1.00 0.00 WT2 H ATOM 35556 H2 TIP3 8991 6.390 32.323 -1.737 1.00 0.00 WT2 H ATOM 35557 OH2 TIP3 8992 2.137 1.082 1.732 1.00 0.00 WT2 O ATOM 35558 H1 TIP3 8992 -3.260 -0.397 -15.838 1.00 0.00 WT2 H ATOM 35559 H2 TIP3 8992 -13.546 5.534 6.601 1.00 0.00 WT2 H ATOM 35560 OH2 TIP3 8995 -1.126 5.208 0.505 1.00 0.00 WT2 O ATOM 35561 H1 TIP3 8995 0.520 -8.362 29.107 1.00 0.00 WT2 H ATOM 35562 H2 TIP3 8995 4.269 4.171 12.753 1.00 0.00 WT2 H ATOM 35563 OH2 TIP3 8996 -1.895 -0.689 5.628 1.00 0.00 WT2 O ATOM 35564 H1 TIP3 8996 -4.127 15.027 -5.758 1.00 0.00 WT2 H ATOM 35565 H2 TIP3 8996 16.333 -6.472 -2.138 1.00 0.00 WT2 H ATOM 35566 OH2 TIP3 8997 3.387 -4.332 -0.980 1.00 0.00 WT2 O ATOM 35567 H1 TIP3 8997 -18.710 5.106 11.528 1.00 0.00 WT2 H ATOM 35568 H2 TIP3 8997 11.382 -23.479 -12.862 1.00 0.00 WT2 H ATOM 35569 OH2 TIP3 8999 8.260 -2.802 5.275 1.00 0.00 WT2 O ATOM 35570 H1 TIP3 8999 7.219 -1.734 2.563 1.00 0.00 WT2 H ATOM 35571 H2 TIP3 8999 6.763 9.190 -8.370 1.00 0.00 WT2 H ATOM 35572 OH2 TIP3 9008 2.062 0.091 -4.133 1.00 0.00 WT2 O ATOM 35573 H1 TIP3 9008 -7.879 -24.776 7.479 1.00 0.00 WT2 H ATOM 35574 H2 TIP3 9008 -0.540 -2.762 -1.321 1.00 0.00 WT2 H ATOM 35575 OH2 TIP3 9009 -4.757 0.536 0.076 1.00 0.00 WT2 O ATOM 35576 H1 TIP3 9009 -14.423 -4.730 7.956 1.00 0.00 WT2 H ATOM 35577 H2 TIP3 9009 8.054 -12.818 4.061 1.00 0.00 WT2 H ATOM 35578 OH2 TIP3 9013 1.622 -1.092 -4.724 1.00 0.00 WT2 O ATOM 35579 H1 TIP3 9013 23.380 6.066 -5.454 1.00 0.00 WT2 H ATOM 35580 H2 TIP3 9013 -2.458 -5.863 -22.161 1.00 0.00 WT2 H ATOM 35581 OH2 TIP3 9014 -5.731 -7.353 6.641 1.00 0.00 WT2 O ATOM 35582 H1 TIP3 9014 -11.765 6.031 -14.284 1.00 0.00 WT2 H ATOM 35583 H2 TIP3 9014 -4.939 5.110 20.030 1.00 0.00 WT2 H ATOM 35584 OH2 TIP3 9015 3.733 0.777 -4.270 1.00 0.00 WT2 O ATOM 35585 H1 TIP3 9015 -16.834 -6.888 -1.315 1.00 0.00 WT2 H ATOM 35586 H2 TIP3 9015 -9.450 -2.618 -3.100 1.00 0.00 WT2 H ATOM 35587 OH2 TIP3 9016 -4.859 -2.205 -3.922 1.00 0.00 WT2 O ATOM 35588 H1 TIP3 9016 -6.166 4.378 -10.842 1.00 0.00 WT2 H ATOM 35589 H2 TIP3 9016 -0.951 -3.117 -19.082 1.00 0.00 WT2 H ATOM 35590 OH2 TIP3 9019 5.777 -1.429 2.444 1.00 0.00 WT2 O ATOM 35591 H1 TIP3 9019 12.514 1.646 -12.972 1.00 0.00 WT2 H ATOM 35592 H2 TIP3 9019 14.590 12.473 12.668 1.00 0.00 WT2 H ATOM 35593 OH2 TIP3 9024 9.153 -0.766 -0.962 1.00 0.00 WT2 O ATOM 35594 H1 TIP3 9024 19.296 22.693 2.581 1.00 0.00 WT2 H ATOM 35595 H2 TIP3 9024 26.362 -14.167 4.142 1.00 0.00 WT2 H ATOM 35596 OH2 TIP3 9031 4.132 1.048 -0.253 1.00 0.00 WT2 O ATOM 35597 H1 TIP3 9031 5.229 -13.075 3.796 1.00 0.00 WT2 H ATOM 35598 H2 TIP3 9031 -13.173 -9.102 3.775 1.00 0.00 WT2 H ATOM 35599 OH2 TIP3 9033 -3.790 1.761 2.543 1.00 0.00 WT2 O ATOM 35600 H1 TIP3 9033 -9.498 22.288 22.497 1.00 0.00 WT2 H ATOM 35601 H2 TIP3 9033 -12.198 9.170 7.337 1.00 0.00 WT2 H ATOM 35602 OH2 TIP3 9034 0.699 -1.342 0.568 1.00 0.00 WT2 O ATOM 35603 H1 TIP3 9034 -2.063 -7.016 -5.398 1.00 0.00 WT2 H ATOM 35604 H2 TIP3 9034 3.357 3.180 11.732 1.00 0.00 WT2 H ATOM 35605 OH2 TIP3 9035 -0.181 4.157 7.017 1.00 0.00 WT2 O ATOM 35606 H1 TIP3 9035 -9.507 5.604 -3.417 1.00 0.00 WT2 H ATOM 35607 H2 TIP3 9035 13.637 8.498 2.861 1.00 0.00 WT2 H ATOM 35608 OH2 TIP3 9036 1.240 2.413 -1.561 1.00 0.00 WT2 O ATOM 35609 H1 TIP3 9036 10.647 -3.972 -4.825 1.00 0.00 WT2 H ATOM 35610 H2 TIP3 9036 4.309 4.625 6.533 1.00 0.00 WT2 H ATOM 35611 OH2 TIP3 9039 3.851 3.414 -1.678 1.00 0.00 WT2 O ATOM 35612 H1 TIP3 9039 5.501 -0.600 -19.562 1.00 0.00 WT2 H ATOM 35613 H2 TIP3 9039 6.979 25.229 -18.976 1.00 0.00 WT2 H ATOM 35614 OH2 TIP3 9047 -7.281 -1.321 2.754 1.00 0.00 WT2 O ATOM 35615 H1 TIP3 9047 -4.257 -14.060 13.064 1.00 0.00 WT2 H ATOM 35616 H2 TIP3 9047 11.430 13.843 10.836 1.00 0.00 WT2 H ATOM 35617 OH2 TIP3 9051 -5.336 -3.946 3.670 1.00 0.00 WT2 O ATOM 35618 H1 TIP3 9051 -5.385 9.562 4.276 1.00 0.00 WT2 H ATOM 35619 H2 TIP3 9051 -0.472 7.294 4.534 1.00 0.00 WT2 H ATOM 35620 OH2 TIP3 9052 2.484 4.973 -8.404 1.00 0.00 WT2 O ATOM 35621 H1 TIP3 9052 0.871 -41.525 -0.874 1.00 0.00 WT2 H ATOM 35622 H2 TIP3 9052 5.032 17.185 -6.407 1.00 0.00 WT2 H ATOM 35623 OH2 TIP3 9054 0.716 -2.707 -5.566 1.00 0.00 WT2 O ATOM 35624 H1 TIP3 9054 -15.194 -3.698 0.537 1.00 0.00 WT2 H ATOM 35625 H2 TIP3 9054 -14.049 16.263 -22.217 1.00 0.00 WT2 H ATOM 35626 OH2 TIP3 9055 4.859 6.544 4.711 1.00 0.00 WT2 O ATOM 35627 H1 TIP3 9055 7.593 13.469 6.749 1.00 0.00 WT2 H ATOM 35628 H2 TIP3 9055 -1.286 5.259 -2.133 1.00 0.00 WT2 H ATOM 35629 OH2 TIP3 9058 -1.028 1.157 -4.707 1.00 0.00 WT2 O ATOM 35630 H1 TIP3 9058 8.506 -21.381 -2.310 1.00 0.00 WT2 H ATOM 35631 H2 TIP3 9058 3.415 -18.546 1.604 1.00 0.00 WT2 H ATOM 35632 OH2 TIP3 9072 5.841 -3.976 -4.931 1.00 0.00 WT2 O ATOM 35633 H1 TIP3 9072 10.429 -15.508 -8.129 1.00 0.00 WT2 H ATOM 35634 H2 TIP3 9072 -27.735 -7.378 -4.800 1.00 0.00 WT2 H ATOM 35635 OH2 TIP3 9073 -0.477 2.771 -4.785 1.00 0.00 WT2 O ATOM 35636 H1 TIP3 9073 13.077 -12.861 -12.081 1.00 0.00 WT2 H ATOM 35637 H2 TIP3 9073 -26.969 -9.739 -3.362 1.00 0.00 WT2 H ATOM 35638 OH2 TIP3 9075 6.366 -5.760 0.245 1.00 0.00 WT2 O ATOM 35639 H1 TIP3 9075 12.165 -3.651 2.453 1.00 0.00 WT2 H ATOM 35640 H2 TIP3 9075 4.808 2.280 -0.737 1.00 0.00 WT2 H ATOM 35641 OH2 TIP3 9078 0.890 0.032 -1.245 1.00 0.00 WT2 O ATOM 35642 H1 TIP3 9078 5.160 -8.129 -10.858 1.00 0.00 WT2 H ATOM 35643 H2 TIP3 9078 -10.647 -0.626 0.368 1.00 0.00 WT2 H ATOM 35644 OH2 TIP3 9079 3.491 -7.720 0.003 1.00 0.00 WT2 O ATOM 35645 H1 TIP3 9079 -3.248 5.422 -23.633 1.00 0.00 WT2 H ATOM 35646 H2 TIP3 9079 6.087 -0.271 -5.736 1.00 0.00 WT2 H ATOM 35647 OH2 TIP3 9080 -6.508 -3.999 4.734 1.00 0.00 WT2 O ATOM 35648 H1 TIP3 9080 6.104 1.298 -2.619 1.00 0.00 WT2 H ATOM 35649 H2 TIP3 9080 -20.392 2.779 8.097 1.00 0.00 WT2 H ATOM 35650 OH2 TIP3 9082 -6.617 1.141 -3.528 1.00 0.00 WT2 O ATOM 35651 H1 TIP3 9082 -4.744 1.660 -18.834 1.00 0.00 WT2 H ATOM 35652 H2 TIP3 9082 10.985 -2.670 5.516 1.00 0.00 WT2 H ATOM 35653 OH2 TIP3 9092 0.499 1.542 1.751 1.00 0.00 WT2 O ATOM 35654 H1 TIP3 9092 -9.220 -5.157 -5.821 1.00 0.00 WT2 H ATOM 35655 H2 TIP3 9092 14.338 -7.731 1.007 1.00 0.00 WT2 H ATOM 35656 OH2 TIP3 9093 4.387 4.893 -1.028 1.00 0.00 WT2 O ATOM 35657 H1 TIP3 9093 6.314 -6.918 -2.031 1.00 0.00 WT2 H ATOM 35658 H2 TIP3 9093 13.273 9.022 1.319 1.00 0.00 WT2 H ATOM 35659 OH2 TIP3 9094 3.748 -3.076 -1.852 1.00 0.00 WT2 O ATOM 35660 H1 TIP3 9094 -3.355 -11.640 -8.421 1.00 0.00 WT2 H ATOM 35661 H2 TIP3 9094 -2.565 9.442 27.331 1.00 0.00 WT2 H ATOM 35662 OH2 TIP3 9096 2.150 -2.392 1.633 1.00 0.00 WT2 O ATOM 35663 H1 TIP3 9096 2.166 -5.040 -0.806 1.00 0.00 WT2 H ATOM 35664 H2 TIP3 9096 1.004 23.637 3.873 1.00 0.00 WT2 H ATOM 35665 OH2 TIP3 9097 -7.781 -3.912 -0.718 1.00 0.00 WT2 O ATOM 35666 H1 TIP3 9097 -2.572 -8.155 -6.319 1.00 0.00 WT2 H ATOM 35667 H2 TIP3 9097 -0.985 -12.187 3.764 1.00 0.00 WT2 H ATOM 35668 OH2 TIP3 9098 5.542 0.166 -6.138 1.00 0.00 WT2 O ATOM 35669 H1 TIP3 9098 18.381 15.293 3.405 1.00 0.00 WT2 H ATOM 35670 H2 TIP3 9098 1.766 -5.280 1.180 1.00 0.00 WT2 H ATOM 35671 OH2 TIP3 9099 1.177 -7.474 -1.011 1.00 0.00 WT2 O ATOM 35672 H1 TIP3 9099 3.633 -7.237 -1.495 1.00 0.00 WT2 H ATOM 35673 H2 TIP3 9099 2.852 -6.695 13.211 1.00 0.00 WT2 H ATOM 35674 OH2 TIP3 9100 -2.898 -3.958 -4.752 1.00 0.00 WT2 O ATOM 35675 H1 TIP3 9100 1.872 -3.938 0.777 1.00 0.00 WT2 H ATOM 35676 H2 TIP3 9100 -1.389 -6.235 -9.547 1.00 0.00 WT2 H ATOM 35677 OH2 TIP3 9103 -5.958 2.987 2.941 1.00 0.00 WT2 O ATOM 35678 H1 TIP3 9103 -19.448 20.713 -10.730 1.00 0.00 WT2 H ATOM 35679 H2 TIP3 9103 -7.832 7.375 5.318 1.00 0.00 WT2 H ATOM 35680 OH2 TIP3 9110 2.747 -7.396 10.741 1.00 0.00 WT2 O ATOM 35681 H1 TIP3 9110 2.880 -1.755 18.056 1.00 0.00 WT2 H ATOM 35682 H2 TIP3 9110 7.073 -7.070 1.596 1.00 0.00 WT2 H ATOM 35683 OH2 TIP3 9116 1.596 0.238 -1.832 1.00 0.00 WT2 O ATOM 35684 H1 TIP3 9116 7.991 9.909 -10.881 1.00 0.00 WT2 H ATOM 35685 H2 TIP3 9116 0.522 -7.911 3.071 1.00 0.00 WT2 H ATOM 35686 OH2 TIP3 9117 2.653 7.838 -4.702 1.00 0.00 WT2 O ATOM 35687 H1 TIP3 9117 5.140 -15.198 3.486 1.00 0.00 WT2 H ATOM 35688 H2 TIP3 9117 29.590 -1.742 28.004 1.00 0.00 WT2 H ATOM 35689 OH2 TIP3 9120 -1.547 -0.977 -1.897 1.00 0.00 WT2 O ATOM 35690 H1 TIP3 9120 17.729 5.263 15.838 1.00 0.00 WT2 H ATOM 35691 H2 TIP3 9120 1.692 -6.347 -12.630 1.00 0.00 WT2 H ATOM 35692 OH2 TIP3 9122 -4.269 1.034 5.934 1.00 0.00 WT2 O ATOM 35693 H1 TIP3 9122 -9.134 20.982 15.466 1.00 0.00 WT2 H ATOM 35694 H2 TIP3 9122 -4.824 -24.101 -12.588 1.00 0.00 WT2 H ATOM 35695 OH2 TIP3 9123 -9.871 -4.597 -0.258 1.00 0.00 WT2 O ATOM 35696 H1 TIP3 9123 -6.146 4.410 1.871 1.00 0.00 WT2 H ATOM 35697 H2 TIP3 9123 -14.658 2.096 -4.648 1.00 0.00 WT2 H ATOM 35698 OH2 TIP3 9124 3.655 2.839 -1.432 1.00 0.00 WT2 O ATOM 35699 H1 TIP3 9124 -12.017 -0.812 -10.678 1.00 0.00 WT2 H ATOM 35700 H2 TIP3 9124 22.141 1.753 -15.558 1.00 0.00 WT2 H ATOM 35701 OH2 TIP3 9136 -3.947 -1.984 3.161 1.00 0.00 WT2 O ATOM 35702 H1 TIP3 9136 -2.320 -2.006 11.015 1.00 0.00 WT2 H ATOM 35703 H2 TIP3 9136 -12.361 5.515 -14.152 1.00 0.00 WT2 H ATOM 35704 OH2 TIP3 9138 -2.454 5.771 -7.581 1.00 0.00 WT2 O ATOM 35705 H1 TIP3 9138 8.886 -9.896 3.379 1.00 0.00 WT2 H ATOM 35706 H2 TIP3 9138 4.669 -4.427 -2.611 1.00 0.00 WT2 H ATOM 35707 OH2 TIP3 9139 0.756 -2.081 -1.142 1.00 0.00 WT2 O ATOM 35708 H1 TIP3 9139 7.865 -2.045 3.803 1.00 0.00 WT2 H ATOM 35709 H2 TIP3 9139 -0.630 6.487 1.600 1.00 0.00 WT2 H ATOM 35710 OH2 TIP3 9140 2.111 -2.879 -0.152 1.00 0.00 WT2 O ATOM 35711 H1 TIP3 9140 1.604 -24.447 -14.438 1.00 0.00 WT2 H ATOM 35712 H2 TIP3 9140 2.496 0.409 1.999 1.00 0.00 WT2 H ATOM 35713 OH2 TIP3 9144 3.188 3.655 -3.271 1.00 0.00 WT2 O ATOM 35714 H1 TIP3 9144 -12.747 -5.277 -6.537 1.00 0.00 WT2 H ATOM 35715 H2 TIP3 9144 -3.869 9.349 3.966 1.00 0.00 WT2 H ATOM 35716 OH2 TIP3 9145 4.531 10.845 -1.288 1.00 0.00 WT2 O ATOM 35717 H1 TIP3 9145 -1.005 -4.106 -12.067 1.00 0.00 WT2 H ATOM 35718 H2 TIP3 9145 -16.688 -14.011 6.539 1.00 0.00 WT2 H ATOM 35719 OH2 TIP3 9157 3.143 0.551 0.666 1.00 0.00 WT2 O ATOM 35720 H1 TIP3 9157 -4.642 17.475 -8.040 1.00 0.00 WT2 H ATOM 35721 H2 TIP3 9157 -5.230 -10.340 -16.318 1.00 0.00 WT2 H ATOM 35722 OH2 TIP3 9158 2.076 -0.436 -4.810 1.00 0.00 WT2 O ATOM 35723 H1 TIP3 9158 -0.172 3.121 -9.960 1.00 0.00 WT2 H ATOM 35724 H2 TIP3 9158 17.909 -14.560 13.333 1.00 0.00 WT2 H ATOM 35725 OH2 TIP3 9159 -2.755 -0.340 -7.353 1.00 0.00 WT2 O ATOM 35726 H1 TIP3 9159 -6.633 18.914 -7.402 1.00 0.00 WT2 H ATOM 35727 H2 TIP3 9159 -11.078 -15.124 10.028 1.00 0.00 WT2 H ATOM 35728 OH2 TIP3 9160 2.403 5.142 5.502 1.00 0.00 WT2 O ATOM 35729 H1 TIP3 9160 1.158 -31.815 -8.205 1.00 0.00 WT2 H ATOM 35730 H2 TIP3 9160 12.503 12.837 -0.309 1.00 0.00 WT2 H ATOM 35731 OH2 TIP3 9161 3.243 3.306 -1.514 1.00 0.00 WT2 O ATOM 35732 H1 TIP3 9161 -12.888 8.140 2.188 1.00 0.00 WT2 H ATOM 35733 H2 TIP3 9161 17.463 24.778 15.689 1.00 0.00 WT2 H ATOM 35734 OH2 TIP3 9162 -0.712 -4.127 1.045 1.00 0.00 WT2 O ATOM 35735 H1 TIP3 9162 -12.321 3.616 2.098 1.00 0.00 WT2 H ATOM 35736 H2 TIP3 9162 -2.000 -7.828 -16.697 1.00 0.00 WT2 H ATOM 35737 OH2 TIP3 9163 -1.376 0.227 5.539 1.00 0.00 WT2 O ATOM 35738 H1 TIP3 9163 -16.770 -11.555 23.028 1.00 0.00 WT2 H ATOM 35739 H2 TIP3 9163 -13.872 22.730 -0.791 1.00 0.00 WT2 H ATOM 35740 OH2 TIP3 9167 -0.753 -5.051 2.747 1.00 0.00 WT2 O ATOM 35741 H1 TIP3 9167 -18.648 9.161 -24.605 1.00 0.00 WT2 H ATOM 35742 H2 TIP3 9167 -7.335 -8.433 -17.494 1.00 0.00 WT2 H ATOM 35743 OH2 TIP3 9170 -4.649 -3.863 -1.832 1.00 0.00 WT2 O ATOM 35744 H1 TIP3 9170 -2.583 -2.086 -1.500 1.00 0.00 WT2 H ATOM 35745 H2 TIP3 9170 -22.124 -17.910 -11.438 1.00 0.00 WT2 H ATOM 35746 OH2 TIP3 9177 -4.636 10.698 -6.513 1.00 0.00 WT2 O ATOM 35747 H1 TIP3 9177 12.250 13.669 -12.098 1.00 0.00 WT2 H ATOM 35748 H2 TIP3 9177 -15.259 -0.538 -19.756 1.00 0.00 WT2 H ATOM 35749 OH2 TIP3 9180 4.852 0.832 5.208 1.00 0.00 WT2 O ATOM 35750 H1 TIP3 9180 4.946 -5.148 3.864 1.00 0.00 WT2 H ATOM 35751 H2 TIP3 9180 1.835 18.679 6.673 1.00 0.00 WT2 H ATOM 35752 OH2 TIP3 9181 -2.486 -1.131 1.891 1.00 0.00 WT2 O ATOM 35753 H1 TIP3 9181 29.149 13.024 -8.471 1.00 0.00 WT2 H ATOM 35754 H2 TIP3 9181 -38.786 -6.514 5.272 1.00 0.00 WT2 H ATOM 35755 OH2 TIP3 9183 -1.275 1.260 -1.028 1.00 0.00 WT2 O ATOM 35756 H1 TIP3 9183 -5.179 -16.843 1.252 1.00 0.00 WT2 H ATOM 35757 H2 TIP3 9183 11.634 12.437 -8.224 1.00 0.00 WT2 H ATOM 35758 OH2 TIP3 9184 3.804 -1.762 9.187 1.00 0.00 WT2 O ATOM 35759 H1 TIP3 9184 12.421 -10.423 1.492 1.00 0.00 WT2 H ATOM 35760 H2 TIP3 9184 12.798 -2.350 3.867 1.00 0.00 WT2 H ATOM 35761 OH2 TIP3 9185 -1.512 -3.774 -1.278 1.00 0.00 WT2 O ATOM 35762 H1 TIP3 9185 16.908 30.752 -17.964 1.00 0.00 WT2 H ATOM 35763 H2 TIP3 9185 -7.970 -12.701 0.692 1.00 0.00 WT2 H ATOM 35764 OH2 TIP3 9186 -0.509 -1.664 -8.208 1.00 0.00 WT2 O ATOM 35765 H1 TIP3 9186 -0.996 -3.135 -7.875 1.00 0.00 WT2 H ATOM 35766 H2 TIP3 9186 1.913 1.219 -11.772 1.00 0.00 WT2 H ATOM 35767 OH2 TIP3 9198 3.932 -6.790 -0.868 1.00 0.00 WT2 O ATOM 35768 H1 TIP3 9198 2.613 7.968 -0.541 1.00 0.00 WT2 H ATOM 35769 H2 TIP3 9198 -6.191 15.029 -45.801 1.00 0.00 WT2 H ATOM 35770 OH2 TIP3 9200 5.210 -3.953 -4.222 1.00 0.00 WT2 O ATOM 35771 H1 TIP3 9200 -11.055 12.255 0.032 1.00 0.00 WT2 H ATOM 35772 H2 TIP3 9200 -7.657 -23.905 13.135 1.00 0.00 WT2 H ATOM 35773 OH2 TIP3 9201 -1.757 -4.870 3.899 1.00 0.00 WT2 O ATOM 35774 H1 TIP3 9201 7.899 4.006 -9.635 1.00 0.00 WT2 H ATOM 35775 H2 TIP3 9201 -0.324 -0.598 4.358 1.00 0.00 WT2 H ATOM 35776 OH2 TIP3 9202 -2.463 -1.064 -5.518 1.00 0.00 WT2 O ATOM 35777 H1 TIP3 9202 -9.203 12.118 -20.520 1.00 0.00 WT2 H ATOM 35778 H2 TIP3 9202 -11.482 1.705 10.962 1.00 0.00 WT2 H ATOM 35779 OH2 TIP3 9203 0.772 0.505 -7.223 1.00 0.00 WT2 O ATOM 35780 H1 TIP3 9203 -18.759 0.116 -5.539 1.00 0.00 WT2 H ATOM 35781 H2 TIP3 9203 -9.180 -6.231 -10.805 1.00 0.00 WT2 H ATOM 35782 OH2 TIP3 9204 8.747 3.861 5.565 1.00 0.00 WT2 O ATOM 35783 H1 TIP3 9204 11.991 10.599 -21.345 1.00 0.00 WT2 H ATOM 35784 H2 TIP3 9204 8.258 7.895 -9.425 1.00 0.00 WT2 H ATOM 35785 OH2 TIP3 9205 2.505 4.357 -1.243 1.00 0.00 WT2 O ATOM 35786 H1 TIP3 9205 -2.760 1.101 -3.515 1.00 0.00 WT2 H ATOM 35787 H2 TIP3 9205 -13.176 0.640 26.146 1.00 0.00 WT2 H ATOM 35788 OH2 TIP3 9219 1.624 -7.593 -0.973 1.00 0.00 WT2 O ATOM 35789 H1 TIP3 9219 11.402 -2.092 9.202 1.00 0.00 WT2 H ATOM 35790 H2 TIP3 9219 -0.446 3.421 -10.911 1.00 0.00 WT2 H ATOM 35791 OH2 TIP3 9222 5.219 1.929 6.844 1.00 0.00 WT2 O ATOM 35792 H1 TIP3 9222 7.994 -10.354 -0.903 1.00 0.00 WT2 H ATOM 35793 H2 TIP3 9222 0.756 -5.159 0.548 1.00 0.00 WT2 H ATOM 35794 OH2 TIP3 9223 2.542 -3.355 -5.905 1.00 0.00 WT2 O ATOM 35795 H1 TIP3 9223 10.846 -8.499 -16.206 1.00 0.00 WT2 H ATOM 35796 H2 TIP3 9223 -14.615 -6.894 2.212 1.00 0.00 WT2 H ATOM 35797 OH2 TIP3 9225 4.694 1.887 -1.165 1.00 0.00 WT2 O ATOM 35798 H1 TIP3 9225 -2.809 -8.912 8.897 1.00 0.00 WT2 H ATOM 35799 H2 TIP3 9225 14.452 4.761 -15.920 1.00 0.00 WT2 H ATOM 35800 OH2 TIP3 9226 -0.804 -0.195 -0.345 1.00 0.00 WT2 O ATOM 35801 H1 TIP3 9226 9.652 -13.642 -5.438 1.00 0.00 WT2 H ATOM 35802 H2 TIP3 9226 -0.159 -1.253 17.237 1.00 0.00 WT2 H ATOM 35803 OH2 TIP3 9227 5.313 -2.829 1.081 1.00 0.00 WT2 O ATOM 35804 H1 TIP3 9227 -1.382 12.910 11.806 1.00 0.00 WT2 H ATOM 35805 H2 TIP3 9227 1.101 -16.179 12.489 1.00 0.00 WT2 H ATOM 35806 OH2 TIP3 9228 3.083 6.925 5.803 1.00 0.00 WT2 O ATOM 35807 H1 TIP3 9228 8.070 -8.431 3.308 1.00 0.00 WT2 H ATOM 35808 H2 TIP3 9228 -7.036 -9.646 8.959 1.00 0.00 WT2 H ATOM 35809 OH2 TIP3 9241 1.029 -7.033 2.606 1.00 0.00 WT2 O ATOM 35810 H1 TIP3 9241 0.966 7.874 -5.346 1.00 0.00 WT2 H ATOM 35811 H2 TIP3 9241 2.114 -15.123 19.620 1.00 0.00 WT2 H ATOM 35812 OH2 TIP3 9242 -3.615 2.526 6.554 1.00 0.00 WT2 O ATOM 35813 H1 TIP3 9242 3.956 5.761 19.927 1.00 0.00 WT2 H ATOM 35814 H2 TIP3 9242 7.492 -0.032 14.886 1.00 0.00 WT2 H ATOM 35815 OH2 TIP3 9243 -2.905 5.110 -0.824 1.00 0.00 WT2 O ATOM 35816 H1 TIP3 9243 4.571 4.782 4.772 1.00 0.00 WT2 H ATOM 35817 H2 TIP3 9243 -10.177 12.330 -5.792 1.00 0.00 WT2 H ATOM 35818 OH2 TIP3 9244 3.373 2.352 -5.842 1.00 0.00 WT2 O ATOM 35819 H1 TIP3 9244 11.072 -2.649 -0.802 1.00 0.00 WT2 H ATOM 35820 H2 TIP3 9244 -0.855 8.741 1.489 1.00 0.00 WT2 H ATOM 35821 OH2 TIP3 9245 -1.830 5.248 -0.728 1.00 0.00 WT2 O ATOM 35822 H1 TIP3 9245 -7.370 15.384 10.152 1.00 0.00 WT2 H ATOM 35823 H2 TIP3 9245 -2.316 -19.284 -5.180 1.00 0.00 WT2 H ATOM 35824 OH2 TIP3 9246 0.444 -3.348 -0.306 1.00 0.00 WT2 O ATOM 35825 H1 TIP3 9246 1.892 -30.957 -9.304 1.00 0.00 WT2 H ATOM 35826 H2 TIP3 9246 -21.442 5.682 -14.783 1.00 0.00 WT2 H ATOM 35827 OH2 TIP3 9247 0.069 -3.341 -0.294 1.00 0.00 WT2 O ATOM 35828 H1 TIP3 9247 -16.184 -5.827 28.606 1.00 0.00 WT2 H ATOM 35829 H2 TIP3 9247 10.007 29.155 -19.974 1.00 0.00 WT2 H ATOM 35830 OH2 TIP3 9250 2.383 -6.524 4.247 1.00 0.00 WT2 O ATOM 35831 H1 TIP3 9250 11.586 -2.781 -3.426 1.00 0.00 WT2 H ATOM 35832 H2 TIP3 9250 -7.061 -13.041 20.744 1.00 0.00 WT2 H ATOM 35833 OH2 TIP3 9259 6.837 -2.595 -2.529 1.00 0.00 WT2 O ATOM 35834 H1 TIP3 9259 -11.127 0.913 -5.825 1.00 0.00 WT2 H ATOM 35835 H2 TIP3 9259 6.686 -14.405 12.920 1.00 0.00 WT2 H ATOM 35836 OH2 TIP3 9261 6.883 -3.144 0.157 1.00 0.00 WT2 O ATOM 35837 H1 TIP3 9261 14.199 -2.864 12.422 1.00 0.00 WT2 H ATOM 35838 H2 TIP3 9261 -6.040 -7.655 6.076 1.00 0.00 WT2 H ATOM 35839 OH2 TIP3 4 2.640 0.597 0.883 1.00 0.00 WT3 O ATOM 35840 H1 TIP3 4 12.231 4.617 4.014 1.00 0.00 WT3 H ATOM 35841 H2 TIP3 4 -12.384 3.665 -4.566 1.00 0.00 WT3 H ATOM 35842 OH2 TIP3 5 4.982 0.735 2.648 1.00 0.00 WT3 O ATOM 35843 H1 TIP3 5 12.860 4.240 4.051 1.00 0.00 WT3 H ATOM 35844 H2 TIP3 5 -0.414 15.602 -14.808 1.00 0.00 WT3 H ATOM 35845 OH2 TIP3 6 -3.531 4.151 -3.490 1.00 0.00 WT3 O ATOM 35846 H1 TIP3 6 -8.458 15.217 -7.434 1.00 0.00 WT3 H ATOM 35847 H2 TIP3 6 -15.928 33.443 -12.843 1.00 0.00 WT3 H ATOM 35848 OH2 TIP3 7 4.567 8.982 3.849 1.00 0.00 WT3 O ATOM 35849 H1 TIP3 7 4.496 2.030 -2.598 1.00 0.00 WT3 H ATOM 35850 H2 TIP3 7 6.536 -6.800 -3.201 1.00 0.00 WT3 H ATOM 35851 OH2 TIP3 8 -1.052 1.614 -1.228 1.00 0.00 WT3 O ATOM 35852 H1 TIP3 8 0.044 1.855 7.485 1.00 0.00 WT3 H ATOM 35853 H2 TIP3 8 -0.545 1.664 2.462 1.00 0.00 WT3 H ATOM 35854 OH2 TIP3 10 -5.304 -1.967 2.017 1.00 0.00 WT3 O ATOM 35855 H1 TIP3 10 2.695 0.019 3.879 1.00 0.00 WT3 H ATOM 35856 H2 TIP3 10 -21.299 -0.065 -0.468 1.00 0.00 WT3 H ATOM 35857 OH2 TIP3 11 -4.241 0.986 -0.577 1.00 0.00 WT3 O ATOM 35858 H1 TIP3 11 -15.791 -3.482 12.658 1.00 0.00 WT3 H ATOM 35859 H2 TIP3 11 -0.615 14.159 -7.007 1.00 0.00 WT3 H ATOM 35860 OH2 TIP3 12 5.353 -2.957 -3.709 1.00 0.00 WT3 O ATOM 35861 H1 TIP3 12 -7.502 -4.484 -8.562 1.00 0.00 WT3 H ATOM 35862 H2 TIP3 12 -3.340 6.097 0.222 1.00 0.00 WT3 H ATOM 35863 OH2 TIP3 13 -4.981 4.495 -4.055 1.00 0.00 WT3 O ATOM 35864 H1 TIP3 13 -6.829 8.102 -8.780 1.00 0.00 WT3 H ATOM 35865 H2 TIP3 13 -15.852 -8.080 11.331 1.00 0.00 WT3 H ATOM 35866 OH2 TIP3 15 2.328 -1.159 -0.935 1.00 0.00 WT3 O ATOM 35867 H1 TIP3 15 -23.302 -16.804 10.554 1.00 0.00 WT3 H ATOM 35868 H2 TIP3 15 30.305 14.124 19.311 1.00 0.00 WT3 H ATOM 35869 OH2 TIP3 16 -3.552 5.650 -1.636 1.00 0.00 WT3 O ATOM 35870 H1 TIP3 16 -7.756 1.656 8.374 1.00 0.00 WT3 H ATOM 35871 H2 TIP3 16 12.009 10.665 24.229 1.00 0.00 WT3 H ATOM 35872 OH2 TIP3 17 -0.193 -3.561 -3.820 1.00 0.00 WT3 O ATOM 35873 H1 TIP3 17 14.387 9.464 -10.358 1.00 0.00 WT3 H ATOM 35874 H2 TIP3 17 -11.207 -15.697 -13.272 1.00 0.00 WT3 H ATOM 35875 OH2 TIP3 18 6.379 -0.437 -1.367 1.00 0.00 WT3 O ATOM 35876 H1 TIP3 18 18.808 -1.937 -1.840 1.00 0.00 WT3 H ATOM 35877 H2 TIP3 18 -5.271 3.476 -18.595 1.00 0.00 WT3 H ATOM 35878 OH2 TIP3 19 3.412 0.691 1.588 1.00 0.00 WT3 O ATOM 35879 H1 TIP3 19 9.358 -4.703 2.113 1.00 0.00 WT3 H ATOM 35880 H2 TIP3 19 5.978 -23.347 -4.597 1.00 0.00 WT3 H ATOM 35881 OH2 TIP3 20 0.530 4.323 -0.309 1.00 0.00 WT3 O ATOM 35882 H1 TIP3 20 -6.342 19.502 -0.295 1.00 0.00 WT3 H ATOM 35883 H2 TIP3 20 -5.983 -4.001 12.402 1.00 0.00 WT3 H ATOM 35884 OH2 TIP3 21 4.442 7.077 -3.821 1.00 0.00 WT3 O ATOM 35885 H1 TIP3 21 -21.142 3.300 -12.744 1.00 0.00 WT3 H ATOM 35886 H2 TIP3 21 -24.243 2.684 -12.613 1.00 0.00 WT3 H ATOM 35887 OH2 TIP3 22 4.504 1.667 3.242 1.00 0.00 WT3 O ATOM 35888 H1 TIP3 22 8.770 4.419 30.802 1.00 0.00 WT3 H ATOM 35889 H2 TIP3 22 4.958 -23.952 -4.102 1.00 0.00 WT3 H ATOM 35890 OH2 TIP3 23 -6.351 -5.216 -1.405 1.00 0.00 WT3 O ATOM 35891 H1 TIP3 23 -28.359 17.951 -0.901 1.00 0.00 WT3 H ATOM 35892 H2 TIP3 23 2.718 -9.819 -8.552 1.00 0.00 WT3 H ATOM 35893 OH2 TIP3 24 -3.426 -4.063 -0.044 1.00 0.00 WT3 O ATOM 35894 H1 TIP3 24 -8.106 -1.432 15.160 1.00 0.00 WT3 H ATOM 35895 H2 TIP3 24 25.578 -8.749 -3.160 1.00 0.00 WT3 H ATOM 35896 OH2 TIP3 25 -3.259 4.762 -4.872 1.00 0.00 WT3 O ATOM 35897 H1 TIP3 25 -4.211 21.170 -22.756 1.00 0.00 WT3 H ATOM 35898 H2 TIP3 25 -3.166 3.944 19.516 1.00 0.00 WT3 H ATOM 35899 OH2 TIP3 26 -2.761 -5.429 5.729 1.00 0.00 WT3 O ATOM 35900 H1 TIP3 26 -0.607 8.828 -16.938 1.00 0.00 WT3 H ATOM 35901 H2 TIP3 26 -12.134 -15.083 -21.634 1.00 0.00 WT3 H ATOM 35902 OH2 TIP3 27 -3.674 1.583 4.570 1.00 0.00 WT3 O ATOM 35903 H1 TIP3 27 -3.934 10.477 4.194 1.00 0.00 WT3 H ATOM 35904 H2 TIP3 27 3.146 -1.418 6.866 1.00 0.00 WT3 H ATOM 35905 OH2 TIP3 29 3.767 1.739 -4.572 1.00 0.00 WT3 O ATOM 35906 H1 TIP3 29 4.227 -6.198 0.119 1.00 0.00 WT3 H ATOM 35907 H2 TIP3 29 -5.583 12.211 6.687 1.00 0.00 WT3 H ATOM 35908 OH2 TIP3 30 1.501 -5.873 6.606 1.00 0.00 WT3 O ATOM 35909 H1 TIP3 30 4.235 -15.990 0.370 1.00 0.00 WT3 H ATOM 35910 H2 TIP3 30 5.238 -17.082 -1.041 1.00 0.00 WT3 H ATOM 35911 OH2 TIP3 31 -8.225 -0.155 -2.438 1.00 0.00 WT3 O ATOM 35912 H1 TIP3 31 16.680 13.553 -21.716 1.00 0.00 WT3 H ATOM 35913 H2 TIP3 31 11.370 20.699 22.372 1.00 0.00 WT3 H ATOM 35914 OH2 TIP3 32 2.070 2.003 2.192 1.00 0.00 WT3 O ATOM 35915 H1 TIP3 32 0.870 3.054 10.254 1.00 0.00 WT3 H ATOM 35916 H2 TIP3 32 0.908 1.741 14.031 1.00 0.00 WT3 H ATOM 35917 OH2 TIP3 33 2.262 -0.995 2.770 1.00 0.00 WT3 O ATOM 35918 H1 TIP3 33 4.276 -1.402 2.333 1.00 0.00 WT3 H ATOM 35919 H2 TIP3 33 30.777 -6.519 4.649 1.00 0.00 WT3 H ATOM 35920 OH2 TIP3 34 -2.167 7.952 0.289 1.00 0.00 WT3 O ATOM 35921 H1 TIP3 34 2.859 -16.280 16.967 1.00 0.00 WT3 H ATOM 35922 H2 TIP3 34 -0.083 -5.487 16.302 1.00 0.00 WT3 H ATOM 35923 OH2 TIP3 35 1.184 -4.794 -5.430 1.00 0.00 WT3 O ATOM 35924 H1 TIP3 35 -16.050 8.681 5.522 1.00 0.00 WT3 H ATOM 35925 H2 TIP3 35 16.248 1.538 -3.481 1.00 0.00 WT3 H ATOM 35926 OH2 TIP3 37 -0.914 -1.113 1.859 1.00 0.00 WT3 O ATOM 35927 H1 TIP3 37 5.712 2.289 18.330 1.00 0.00 WT3 H ATOM 35928 H2 TIP3 37 -7.110 -0.110 2.380 1.00 0.00 WT3 H ATOM 35929 OH2 TIP3 39 1.128 -3.667 10.793 1.00 0.00 WT3 O ATOM 35930 H1 TIP3 39 14.503 -11.788 7.303 1.00 0.00 WT3 H ATOM 35931 H2 TIP3 39 -2.991 8.451 21.036 1.00 0.00 WT3 H ATOM 35932 OH2 TIP3 41 1.605 5.739 1.876 1.00 0.00 WT3 O ATOM 35933 H1 TIP3 41 5.364 -11.535 -31.563 1.00 0.00 WT3 H ATOM 35934 H2 TIP3 41 6.697 18.728 6.247 1.00 0.00 WT3 H ATOM 35935 OH2 TIP3 42 0.576 1.274 2.373 1.00 0.00 WT3 O ATOM 35936 H1 TIP3 42 -7.460 -19.489 25.080 1.00 0.00 WT3 H ATOM 35937 H2 TIP3 42 9.364 18.593 9.385 1.00 0.00 WT3 H ATOM 35938 OH2 TIP3 43 12.707 -2.645 1.541 1.00 0.00 WT3 O ATOM 35939 H1 TIP3 43 -2.199 7.434 -10.991 1.00 0.00 WT3 H ATOM 35940 H2 TIP3 43 10.917 -20.767 4.999 1.00 0.00 WT3 H ATOM 35941 OH2 TIP3 44 -3.405 3.308 3.086 1.00 0.00 WT3 O ATOM 35942 H1 TIP3 44 -4.087 -1.879 -0.115 1.00 0.00 WT3 H ATOM 35943 H2 TIP3 44 0.101 7.339 13.234 1.00 0.00 WT3 H ATOM 35944 OH2 TIP3 45 1.625 2.941 -0.036 1.00 0.00 WT3 O ATOM 35945 H1 TIP3 45 -7.216 0.352 6.472 1.00 0.00 WT3 H ATOM 35946 H2 TIP3 45 18.258 5.339 -14.443 1.00 0.00 WT3 H ATOM 35947 OH2 TIP3 46 0.476 -1.165 -5.800 1.00 0.00 WT3 O ATOM 35948 H1 TIP3 46 3.276 -13.243 -6.607 1.00 0.00 WT3 H ATOM 35949 H2 TIP3 46 0.595 -3.063 -2.778 1.00 0.00 WT3 H ATOM 35950 OH2 TIP3 47 0.700 -6.502 -3.997 1.00 0.00 WT3 O ATOM 35951 H1 TIP3 47 2.624 0.829 -7.010 1.00 0.00 WT3 H ATOM 35952 H2 TIP3 47 6.609 -8.084 -2.426 1.00 0.00 WT3 H ATOM 35953 OH2 TIP3 48 -2.442 1.898 3.039 1.00 0.00 WT3 O ATOM 35954 H1 TIP3 48 4.886 10.980 29.533 1.00 0.00 WT3 H ATOM 35955 H2 TIP3 48 -5.591 5.292 -7.580 1.00 0.00 WT3 H ATOM 35956 OH2 TIP3 50 1.970 2.789 4.151 1.00 0.00 WT3 O ATOM 35957 H1 TIP3 50 16.852 2.504 -13.683 1.00 0.00 WT3 H ATOM 35958 H2 TIP3 50 -1.611 2.050 6.068 1.00 0.00 WT3 H ATOM 35959 OH2 TIP3 52 3.433 -4.213 -2.675 1.00 0.00 WT3 O ATOM 35960 H1 TIP3 52 11.784 -0.356 5.637 1.00 0.00 WT3 H ATOM 35961 H2 TIP3 52 -8.618 -11.375 1.256 1.00 0.00 WT3 H ATOM 35962 OH2 TIP3 53 3.658 0.213 -8.773 1.00 0.00 WT3 O ATOM 35963 H1 TIP3 53 36.949 -7.943 -20.080 1.00 0.00 WT3 H ATOM 35964 H2 TIP3 53 15.302 -2.312 2.434 1.00 0.00 WT3 H ATOM 35965 OH2 TIP3 55 1.781 -0.427 4.033 1.00 0.00 WT3 O ATOM 35966 H1 TIP3 55 -2.318 -0.254 14.948 1.00 0.00 WT3 H ATOM 35967 H2 TIP3 55 9.812 -8.768 5.066 1.00 0.00 WT3 H ATOM 35968 OH2 TIP3 56 2.649 -1.956 1.315 1.00 0.00 WT3 O ATOM 35969 H1 TIP3 56 12.081 -1.751 13.153 1.00 0.00 WT3 H ATOM 35970 H2 TIP3 56 -9.495 4.092 4.167 1.00 0.00 WT3 H ATOM 35971 OH2 TIP3 58 -8.189 -3.213 1.083 1.00 0.00 WT3 O ATOM 35972 H1 TIP3 58 24.019 1.108 21.421 1.00 0.00 WT3 H ATOM 35973 H2 TIP3 58 -19.760 -0.859 -10.136 1.00 0.00 WT3 H ATOM 35974 OH2 TIP3 59 -1.802 1.930 0.415 1.00 0.00 WT3 O ATOM 35975 H1 TIP3 59 -11.295 10.699 -4.531 1.00 0.00 WT3 H ATOM 35976 H2 TIP3 59 6.590 2.861 9.858 1.00 0.00 WT3 H ATOM 35977 OH2 TIP3 60 1.192 -4.124 -1.382 1.00 0.00 WT3 O ATOM 35978 H1 TIP3 60 -6.465 -3.736 4.911 1.00 0.00 WT3 H ATOM 35979 H2 TIP3 60 -6.427 -12.502 10.297 1.00 0.00 WT3 H ATOM 35980 OH2 TIP3 61 3.008 -0.834 0.366 1.00 0.00 WT3 O ATOM 35981 H1 TIP3 61 5.084 6.075 -6.640 1.00 0.00 WT3 H ATOM 35982 H2 TIP3 61 3.305 -5.357 -4.180 1.00 0.00 WT3 H ATOM 35983 OH2 TIP3 62 0.068 2.979 -2.740 1.00 0.00 WT3 O ATOM 35984 H1 TIP3 62 -15.383 4.547 -6.402 1.00 0.00 WT3 H ATOM 35985 H2 TIP3 62 8.295 12.606 2.783 1.00 0.00 WT3 H ATOM 35986 OH2 TIP3 63 -2.182 1.325 2.483 1.00 0.00 WT3 O ATOM 35987 H1 TIP3 63 -2.104 -12.779 -9.499 1.00 0.00 WT3 H ATOM 35988 H2 TIP3 63 2.336 -2.078 17.456 1.00 0.00 WT3 H ATOM 35989 OH2 TIP3 64 3.795 1.510 -4.338 1.00 0.00 WT3 O ATOM 35990 H1 TIP3 64 19.019 40.014 17.423 1.00 0.00 WT3 H ATOM 35991 H2 TIP3 64 9.584 -42.835 1.333 1.00 0.00 WT3 H ATOM 35992 OH2 TIP3 66 2.262 -2.097 0.862 1.00 0.00 WT3 O ATOM 35993 H1 TIP3 66 -10.438 -0.259 15.357 1.00 0.00 WT3 H ATOM 35994 H2 TIP3 66 -7.811 -3.982 7.394 1.00 0.00 WT3 H ATOM 35995 OH2 TIP3 67 -3.687 -1.074 -5.515 1.00 0.00 WT3 O ATOM 35996 H1 TIP3 67 -15.968 -26.232 8.093 1.00 0.00 WT3 H ATOM 35997 H2 TIP3 67 -7.007 -12.424 1.919 1.00 0.00 WT3 H ATOM 35998 OH2 TIP3 68 6.721 1.323 -4.050 1.00 0.00 WT3 O ATOM 35999 H1 TIP3 68 -1.241 1.732 -5.656 1.00 0.00 WT3 H ATOM 36000 H2 TIP3 68 11.806 10.771 -5.511 1.00 0.00 WT3 H ATOM 36001 OH2 TIP3 69 -2.110 -3.317 5.899 1.00 0.00 WT3 O ATOM 36002 H1 TIP3 69 7.392 -16.204 -6.094 1.00 0.00 WT3 H ATOM 36003 H2 TIP3 69 -17.342 23.523 -24.819 1.00 0.00 WT3 H ATOM 36004 OH2 TIP3 70 -3.965 -9.203 -0.635 1.00 0.00 WT3 O ATOM 36005 H1 TIP3 70 -18.578 -8.939 -5.956 1.00 0.00 WT3 H ATOM 36006 H2 TIP3 70 -13.197 -1.207 7.739 1.00 0.00 WT3 H ATOM 36007 OH2 TIP3 71 -1.938 -3.550 0.196 1.00 0.00 WT3 O ATOM 36008 H1 TIP3 71 11.767 0.219 -14.589 1.00 0.00 WT3 H ATOM 36009 H2 TIP3 71 9.382 -9.179 -6.214 1.00 0.00 WT3 H ATOM 36010 OH2 TIP3 72 -5.657 -6.338 -2.241 1.00 0.00 WT3 O ATOM 36011 H1 TIP3 72 4.815 8.790 0.321 1.00 0.00 WT3 H ATOM 36012 H2 TIP3 72 -23.334 -7.806 -0.512 1.00 0.00 WT3 H ATOM 36013 OH2 TIP3 74 -1.308 -4.081 5.318 1.00 0.00 WT3 O ATOM 36014 H1 TIP3 74 -5.271 1.633 -1.937 1.00 0.00 WT3 H ATOM 36015 H2 TIP3 74 -0.668 6.208 18.647 1.00 0.00 WT3 H ATOM 36016 OH2 TIP3 75 5.098 3.165 0.029 1.00 0.00 WT3 O ATOM 36017 H1 TIP3 75 11.270 2.725 16.072 1.00 0.00 WT3 H ATOM 36018 H2 TIP3 75 0.383 4.901 -5.100 1.00 0.00 WT3 H ATOM 36019 OH2 TIP3 76 6.882 -0.152 -1.451 1.00 0.00 WT3 O ATOM 36020 H1 TIP3 76 3.109 4.545 -16.607 1.00 0.00 WT3 H ATOM 36021 H2 TIP3 76 15.132 -0.348 7.527 1.00 0.00 WT3 H ATOM 36022 OH2 TIP3 78 -1.414 -8.976 6.116 1.00 0.00 WT3 O ATOM 36023 H1 TIP3 78 2.531 -1.025 7.676 1.00 0.00 WT3 H ATOM 36024 H2 TIP3 78 -9.283 -14.057 4.502 1.00 0.00 WT3 H ATOM 36025 OH2 TIP3 79 2.102 -5.553 5.193 1.00 0.00 WT3 O ATOM 36026 H1 TIP3 79 2.109 -5.736 0.653 1.00 0.00 WT3 H ATOM 36027 H2 TIP3 79 4.147 -3.161 10.114 1.00 0.00 WT3 H ATOM 36028 OH2 TIP3 80 -9.745 0.886 -1.774 1.00 0.00 WT3 O ATOM 36029 H1 TIP3 80 -16.843 5.118 -6.388 1.00 0.00 WT3 H ATOM 36030 H2 TIP3 80 -12.950 -12.108 -1.619 1.00 0.00 WT3 H ATOM 36031 OH2 TIP3 81 -4.403 -4.805 -0.209 1.00 0.00 WT3 O ATOM 36032 H1 TIP3 81 21.085 -15.378 -27.661 1.00 0.00 WT3 H ATOM 36033 H2 TIP3 81 5.308 -6.167 -25.439 1.00 0.00 WT3 H ATOM 36034 OH2 TIP3 82 1.598 -0.436 -1.436 1.00 0.00 WT3 O ATOM 36035 H1 TIP3 82 -1.920 3.667 17.212 1.00 0.00 WT3 H ATOM 36036 H2 TIP3 82 -1.442 1.751 -10.695 1.00 0.00 WT3 H ATOM 36037 OH2 TIP3 83 7.517 -0.735 -0.787 1.00 0.00 WT3 O ATOM 36038 H1 TIP3 83 7.241 -16.160 13.373 1.00 0.00 WT3 H ATOM 36039 H2 TIP3 83 6.820 2.099 -16.811 1.00 0.00 WT3 H ATOM 36040 OH2 TIP3 84 -2.410 3.442 2.281 1.00 0.00 WT3 O ATOM 36041 H1 TIP3 84 -9.927 7.945 7.490 1.00 0.00 WT3 H ATOM 36042 H2 TIP3 84 -5.833 -5.677 5.397 1.00 0.00 WT3 H ATOM 36043 OH2 TIP3 86 -1.389 0.999 1.613 1.00 0.00 WT3 O ATOM 36044 H1 TIP3 86 11.659 6.117 1.270 1.00 0.00 WT3 H ATOM 36045 H2 TIP3 86 -7.686 -12.844 13.774 1.00 0.00 WT3 H ATOM 36046 OH2 TIP3 87 4.287 4.818 2.765 1.00 0.00 WT3 O ATOM 36047 H1 TIP3 87 -5.375 5.193 7.795 1.00 0.00 WT3 H ATOM 36048 H2 TIP3 87 -5.671 1.040 10.815 1.00 0.00 WT3 H ATOM 36049 OH2 TIP3 88 3.242 0.350 1.790 1.00 0.00 WT3 O ATOM 36050 H1 TIP3 88 7.455 -2.749 10.195 1.00 0.00 WT3 H ATOM 36051 H2 TIP3 88 7.853 2.586 -5.430 1.00 0.00 WT3 H ATOM 36052 OH2 TIP3 90 2.276 1.272 1.119 1.00 0.00 WT3 O ATOM 36053 H1 TIP3 90 -6.587 7.692 -1.437 1.00 0.00 WT3 H ATOM 36054 H2 TIP3 90 -0.144 8.427 13.194 1.00 0.00 WT3 H ATOM 36055 OH2 TIP3 91 -1.246 1.465 1.413 1.00 0.00 WT3 O ATOM 36056 H1 TIP3 91 -5.870 2.075 2.043 1.00 0.00 WT3 H ATOM 36057 H2 TIP3 91 12.249 -2.368 6.124 1.00 0.00 WT3 H ATOM 36058 OH2 TIP3 92 -1.077 2.502 -0.914 1.00 0.00 WT3 O ATOM 36059 H1 TIP3 92 -4.030 4.318 7.063 1.00 0.00 WT3 H ATOM 36060 H2 TIP3 92 -6.121 3.955 -6.418 1.00 0.00 WT3 H ATOM 36061 OH2 TIP3 93 -4.585 -7.699 0.901 1.00 0.00 WT3 O ATOM 36062 H1 TIP3 93 -1.409 -7.244 0.367 1.00 0.00 WT3 H ATOM 36063 H2 TIP3 93 -9.730 -8.999 7.439 1.00 0.00 WT3 H ATOM 36064 OH2 TIP3 94 1.849 -4.050 -4.328 1.00 0.00 WT3 O ATOM 36065 H1 TIP3 94 27.340 17.217 6.942 1.00 0.00 WT3 H ATOM 36066 H2 TIP3 94 1.405 1.312 14.687 1.00 0.00 WT3 H ATOM 36067 OH2 TIP3 95 3.542 -1.931 4.351 1.00 0.00 WT3 O ATOM 36068 H1 TIP3 95 -6.997 7.598 0.756 1.00 0.00 WT3 H ATOM 36069 H2 TIP3 95 5.911 -22.349 25.471 1.00 0.00 WT3 H ATOM 36070 OH2 TIP3 97 1.450 -3.765 -1.765 1.00 0.00 WT3 O ATOM 36071 H1 TIP3 97 -7.552 13.807 -12.174 1.00 0.00 WT3 H ATOM 36072 H2 TIP3 97 22.259 -2.193 8.799 1.00 0.00 WT3 H ATOM 36073 OH2 TIP3 98 -5.551 0.723 -6.808 1.00 0.00 WT3 O ATOM 36074 H1 TIP3 98 -20.007 3.180 9.547 1.00 0.00 WT3 H ATOM 36075 H2 TIP3 98 5.137 26.912 11.271 1.00 0.00 WT3 H ATOM 36076 OH2 TIP3 99 0.742 3.020 7.357 1.00 0.00 WT3 O ATOM 36077 H1 TIP3 99 1.928 -2.355 2.708 1.00 0.00 WT3 H ATOM 36078 H2 TIP3 99 -2.339 -1.050 10.970 1.00 0.00 WT3 H ATOM 36079 OH2 TIP3 100 1.722 3.480 -0.485 1.00 0.00 WT3 O ATOM 36080 H1 TIP3 100 -4.941 25.409 4.928 1.00 0.00 WT3 H ATOM 36081 H2 TIP3 100 -4.605 -20.961 14.670 1.00 0.00 WT3 H ATOM 36082 OH2 TIP3 101 1.059 3.653 -4.008 1.00 0.00 WT3 O ATOM 36083 H1 TIP3 101 21.876 -17.565 8.858 1.00 0.00 WT3 H ATOM 36084 H2 TIP3 101 -18.068 -1.537 5.088 1.00 0.00 WT3 H ATOM 36085 OH2 TIP3 102 -6.503 -1.196 7.060 1.00 0.00 WT3 O ATOM 36086 H1 TIP3 102 2.293 -5.397 -24.196 1.00 0.00 WT3 H ATOM 36087 H2 TIP3 102 -4.705 -2.541 -3.099 1.00 0.00 WT3 H ATOM 36088 OH2 TIP3 104 5.703 -1.809 -7.005 1.00 0.00 WT3 O ATOM 36089 H1 TIP3 104 10.326 -0.438 -7.653 1.00 0.00 WT3 H ATOM 36090 H2 TIP3 104 10.547 0.381 -14.774 1.00 0.00 WT3 H ATOM 36091 OH2 TIP3 105 6.389 1.505 -2.630 1.00 0.00 WT3 O ATOM 36092 H1 TIP3 105 7.820 -3.160 10.261 1.00 0.00 WT3 H ATOM 36093 H2 TIP3 105 8.565 6.736 -7.932 1.00 0.00 WT3 H ATOM 36094 OH2 TIP3 106 1.409 -2.094 1.035 1.00 0.00 WT3 O ATOM 36095 H1 TIP3 106 -8.587 -2.411 -2.196 1.00 0.00 WT3 H ATOM 36096 H2 TIP3 106 3.278 -11.627 4.764 1.00 0.00 WT3 H ATOM 36097 OH2 TIP3 107 -1.878 3.232 -1.899 1.00 0.00 WT3 O ATOM 36098 H1 TIP3 107 -20.082 9.452 0.770 1.00 0.00 WT3 H ATOM 36099 H2 TIP3 107 -4.164 -6.006 11.545 1.00 0.00 WT3 H ATOM 36100 OH2 TIP3 108 4.977 4.692 -0.063 1.00 0.00 WT3 O ATOM 36101 H1 TIP3 108 -0.552 5.254 -4.519 1.00 0.00 WT3 H ATOM 36102 H2 TIP3 108 8.429 8.350 -2.559 1.00 0.00 WT3 H ATOM 36103 OH2 TIP3 109 6.157 -3.784 -3.064 1.00 0.00 WT3 O ATOM 36104 H1 TIP3 109 8.794 11.198 0.648 1.00 0.00 WT3 H ATOM 36105 H2 TIP3 109 9.990 0.655 -2.807 1.00 0.00 WT3 H ATOM 36106 OH2 TIP3 110 4.898 -2.956 7.016 1.00 0.00 WT3 O ATOM 36107 H1 TIP3 110 0.248 13.432 -6.455 1.00 0.00 WT3 H ATOM 36108 H2 TIP3 110 14.582 35.446 -21.812 1.00 0.00 WT3 H ATOM 36109 OH2 TIP3 111 -3.126 -3.700 0.031 1.00 0.00 WT3 O ATOM 36110 H1 TIP3 111 5.786 3.122 -23.482 1.00 0.00 WT3 H ATOM 36111 H2 TIP3 111 7.144 3.125 -19.055 1.00 0.00 WT3 H ATOM 36112 OH2 TIP3 112 4.564 -1.705 -3.979 1.00 0.00 WT3 O ATOM 36113 H1 TIP3 112 -7.513 4.250 2.465 1.00 0.00 WT3 H ATOM 36114 H2 TIP3 112 23.155 0.198 16.437 1.00 0.00 WT3 H ATOM 36115 OH2 TIP3 113 5.036 -0.511 -7.557 1.00 0.00 WT3 O ATOM 36116 H1 TIP3 113 2.844 5.472 -1.344 1.00 0.00 WT3 H ATOM 36117 H2 TIP3 113 15.383 6.121 -7.575 1.00 0.00 WT3 H ATOM 36118 OH2 TIP3 114 -6.571 -1.757 -7.088 1.00 0.00 WT3 O ATOM 36119 H1 TIP3 114 -7.334 12.147 5.925 1.00 0.00 WT3 H ATOM 36120 H2 TIP3 114 -15.462 -10.238 10.458 1.00 0.00 WT3 H ATOM 36121 OH2 TIP3 115 -1.348 -7.270 -0.209 1.00 0.00 WT3 O ATOM 36122 H1 TIP3 115 -8.001 -5.156 2.332 1.00 0.00 WT3 H ATOM 36123 H2 TIP3 115 -2.473 -3.320 1.076 1.00 0.00 WT3 H ATOM 36124 OH2 TIP3 118 -1.251 -1.615 -4.494 1.00 0.00 WT3 O ATOM 36125 H1 TIP3 118 -15.173 -21.576 -4.228 1.00 0.00 WT3 H ATOM 36126 H2 TIP3 118 -13.535 -25.126 -3.350 1.00 0.00 WT3 H ATOM 36127 OH2 TIP3 119 -6.818 -5.239 -3.240 1.00 0.00 WT3 O ATOM 36128 H1 TIP3 119 0.744 -28.778 -6.596 1.00 0.00 WT3 H ATOM 36129 H2 TIP3 119 -17.839 19.978 -10.917 1.00 0.00 WT3 H ATOM 36130 OH2 TIP3 120 -5.737 -1.974 3.775 1.00 0.00 WT3 O ATOM 36131 H1 TIP3 120 -6.433 0.621 -0.817 1.00 0.00 WT3 H ATOM 36132 H2 TIP3 120 -1.563 -7.333 19.864 1.00 0.00 WT3 H ATOM 36133 OH2 TIP3 121 -2.127 6.226 0.471 1.00 0.00 WT3 O ATOM 36134 H1 TIP3 121 -9.243 -24.144 4.941 1.00 0.00 WT3 H ATOM 36135 H2 TIP3 121 -8.430 -21.519 15.838 1.00 0.00 WT3 H ATOM 36136 OH2 TIP3 122 4.301 0.975 4.377 1.00 0.00 WT3 O ATOM 36137 H1 TIP3 122 -4.193 2.704 5.455 1.00 0.00 WT3 H ATOM 36138 H2 TIP3 122 -17.616 10.897 -32.326 1.00 0.00 WT3 H ATOM 36139 OH2 TIP3 124 0.265 7.864 -2.977 1.00 0.00 WT3 O ATOM 36140 H1 TIP3 124 5.892 4.257 -6.567 1.00 0.00 WT3 H ATOM 36141 H2 TIP3 124 -5.280 10.555 -2.333 1.00 0.00 WT3 H ATOM 36142 OH2 TIP3 125 0.338 -0.053 5.295 1.00 0.00 WT3 O ATOM 36143 H1 TIP3 125 7.499 -0.314 8.920 1.00 0.00 WT3 H ATOM 36144 H2 TIP3 125 -5.797 0.241 6.479 1.00 0.00 WT3 H ATOM 36145 OH2 TIP3 126 -1.334 -3.352 -3.264 1.00 0.00 WT3 O ATOM 36146 H1 TIP3 126 -5.498 13.823 8.425 1.00 0.00 WT3 H ATOM 36147 H2 TIP3 126 -9.951 -11.609 13.775 1.00 0.00 WT3 H ATOM 36148 OH2 TIP3 127 -6.975 -1.230 4.387 1.00 0.00 WT3 O ATOM 36149 H1 TIP3 127 -8.077 14.978 6.518 1.00 0.00 WT3 H ATOM 36150 H2 TIP3 127 -7.966 13.874 -3.814 1.00 0.00 WT3 H ATOM 36151 OH2 TIP3 128 8.211 1.374 1.504 1.00 0.00 WT3 O ATOM 36152 H1 TIP3 128 5.903 -3.014 12.643 1.00 0.00 WT3 H ATOM 36153 H2 TIP3 128 12.118 -2.621 -2.966 1.00 0.00 WT3 H ATOM 36154 OH2 TIP3 129 -1.902 0.975 -1.236 1.00 0.00 WT3 O ATOM 36155 H1 TIP3 129 12.850 -24.406 -2.946 1.00 0.00 WT3 H ATOM 36156 H2 TIP3 129 -9.019 -5.580 -9.543 1.00 0.00 WT3 H ATOM 36157 OH2 TIP3 130 2.528 2.419 5.367 1.00 0.00 WT3 O ATOM 36158 H1 TIP3 130 12.161 -7.383 -1.178 1.00 0.00 WT3 H ATOM 36159 H2 TIP3 130 9.297 13.279 11.849 1.00 0.00 WT3 H ATOM 36160 OH2 TIP3 131 -7.309 -5.620 2.662 1.00 0.00 WT3 O ATOM 36161 H1 TIP3 131 -6.759 -13.227 2.406 1.00 0.00 WT3 H ATOM 36162 H2 TIP3 131 -0.752 24.546 -1.247 1.00 0.00 WT3 H ATOM 36163 OH2 TIP3 132 4.695 -0.453 -2.389 1.00 0.00 WT3 O ATOM 36164 H1 TIP3 132 -9.569 -7.558 4.120 1.00 0.00 WT3 H ATOM 36165 H2 TIP3 132 15.144 3.774 11.579 1.00 0.00 WT3 H ATOM 36166 OH2 TIP3 133 0.887 1.210 3.041 1.00 0.00 WT3 O ATOM 36167 H1 TIP3 133 -3.126 -22.771 12.648 1.00 0.00 WT3 H ATOM 36168 H2 TIP3 133 -1.727 26.260 -7.694 1.00 0.00 WT3 H ATOM 36169 OH2 TIP3 134 3.896 -7.553 -1.764 1.00 0.00 WT3 O ATOM 36170 H1 TIP3 134 8.537 -3.059 -11.117 1.00 0.00 WT3 H ATOM 36171 H2 TIP3 134 -4.677 5.742 -6.888 1.00 0.00 WT3 H ATOM 36172 OH2 TIP3 135 0.101 -2.484 3.004 1.00 0.00 WT3 O ATOM 36173 H1 TIP3 135 -10.649 -17.623 17.426 1.00 0.00 WT3 H ATOM 36174 H2 TIP3 135 21.455 -3.316 7.265 1.00 0.00 WT3 H ATOM 36175 OH2 TIP3 136 3.930 -2.646 -6.156 1.00 0.00 WT3 O ATOM 36176 H1 TIP3 136 1.030 -14.543 -4.605 1.00 0.00 WT3 H ATOM 36177 H2 TIP3 136 -4.852 -7.244 0.048 1.00 0.00 WT3 H ATOM 36178 OH2 TIP3 137 -0.830 3.059 -2.222 1.00 0.00 WT3 O ATOM 36179 H1 TIP3 137 7.174 5.086 -6.436 1.00 0.00 WT3 H ATOM 36180 H2 TIP3 137 -0.725 4.441 5.464 1.00 0.00 WT3 H ATOM 36181 OH2 TIP3 138 6.761 9.831 0.146 1.00 0.00 WT3 O ATOM 36182 H1 TIP3 138 -6.093 1.297 3.224 1.00 0.00 WT3 H ATOM 36183 H2 TIP3 138 8.719 13.632 -5.769 1.00 0.00 WT3 H ATOM 36184 OH2 TIP3 139 0.262 -4.696 0.852 1.00 0.00 WT3 O ATOM 36185 H1 TIP3 139 -0.428 1.400 -0.463 1.00 0.00 WT3 H ATOM 36186 H2 TIP3 139 2.933 -1.812 -0.321 1.00 0.00 WT3 H ATOM 36187 OH2 TIP3 140 -1.188 -2.321 -2.974 1.00 0.00 WT3 O ATOM 36188 H1 TIP3 140 -6.424 10.353 -4.528 1.00 0.00 WT3 H ATOM 36189 H2 TIP3 140 1.932 -10.647 5.598 1.00 0.00 WT3 H ATOM 36190 OH2 TIP3 141 -1.723 3.088 -1.027 1.00 0.00 WT3 O ATOM 36191 H1 TIP3 141 -16.245 -9.651 5.170 1.00 0.00 WT3 H ATOM 36192 H2 TIP3 141 -11.570 19.401 -8.082 1.00 0.00 WT3 H ATOM 36193 OH2 TIP3 142 1.054 -2.765 1.137 1.00 0.00 WT3 O ATOM 36194 H1 TIP3 142 10.827 -15.867 -25.535 1.00 0.00 WT3 H ATOM 36195 H2 TIP3 142 -17.868 10.893 4.129 1.00 0.00 WT3 H ATOM 36196 OH2 TIP3 143 3.208 -0.960 -1.516 1.00 0.00 WT3 O ATOM 36197 H1 TIP3 143 -2.064 -4.076 22.396 1.00 0.00 WT3 H ATOM 36198 H2 TIP3 143 -15.706 -16.799 7.985 1.00 0.00 WT3 H ATOM 36199 OH2 TIP3 144 1.001 5.890 0.326 1.00 0.00 WT3 O ATOM 36200 H1 TIP3 144 -41.265 14.474 10.803 1.00 0.00 WT3 H ATOM 36201 H2 TIP3 144 18.018 -0.341 4.828 1.00 0.00 WT3 H ATOM 36202 OH2 TIP3 145 5.561 0.326 8.502 1.00 0.00 WT3 O ATOM 36203 H1 TIP3 145 14.263 -1.439 -1.572 1.00 0.00 WT3 H ATOM 36204 H2 TIP3 145 -9.828 -15.095 -0.583 1.00 0.00 WT3 H ATOM 36205 OH2 TIP3 147 3.389 3.715 0.953 1.00 0.00 WT3 O ATOM 36206 H1 TIP3 147 -24.233 -1.587 13.560 1.00 0.00 WT3 H ATOM 36207 H2 TIP3 147 4.051 9.461 0.725 1.00 0.00 WT3 H ATOM 36208 OH2 TIP3 148 2.649 -2.070 -5.158 1.00 0.00 WT3 O ATOM 36209 H1 TIP3 148 -17.043 -2.299 -1.457 1.00 0.00 WT3 H ATOM 36210 H2 TIP3 148 7.448 -12.736 -11.976 1.00 0.00 WT3 H ATOM 36211 OH2 TIP3 149 -5.307 -3.105 -2.837 1.00 0.00 WT3 O ATOM 36212 H1 TIP3 149 -1.054 -5.569 -4.948 1.00 0.00 WT3 H ATOM 36213 H2 TIP3 149 -0.726 -5.659 -7.232 1.00 0.00 WT3 H ATOM 36214 OH2 TIP3 150 2.792 7.638 -2.779 1.00 0.00 WT3 O ATOM 36215 H1 TIP3 150 0.840 -4.378 -18.256 1.00 0.00 WT3 H ATOM 36216 H2 TIP3 150 -18.434 17.685 3.555 1.00 0.00 WT3 H ATOM 36217 OH2 TIP3 151 4.184 3.521 -2.748 1.00 0.00 WT3 O ATOM 36218 H1 TIP3 151 11.038 2.440 1.581 1.00 0.00 WT3 H ATOM 36219 H2 TIP3 151 12.428 -5.198 -7.136 1.00 0.00 WT3 H ATOM 36220 OH2 TIP3 152 2.379 4.586 -4.656 1.00 0.00 WT3 O ATOM 36221 H1 TIP3 152 13.248 5.572 0.466 1.00 0.00 WT3 H ATOM 36222 H2 TIP3 152 -12.850 -4.258 0.305 1.00 0.00 WT3 H ATOM 36223 OH2 TIP3 154 8.684 2.074 -1.334 1.00 0.00 WT3 O ATOM 36224 H1 TIP3 154 -2.782 -1.696 8.296 1.00 0.00 WT3 H ATOM 36225 H2 TIP3 154 34.956 -13.236 4.355 1.00 0.00 WT3 H ATOM 36226 OH2 TIP3 155 -8.793 -1.918 -0.135 1.00 0.00 WT3 O ATOM 36227 H1 TIP3 155 -17.245 11.342 7.481 1.00 0.00 WT3 H ATOM 36228 H2 TIP3 155 -18.820 10.228 16.618 1.00 0.00 WT3 H ATOM 36229 OH2 TIP3 156 0.621 -1.544 -0.269 1.00 0.00 WT3 O ATOM 36230 H1 TIP3 156 1.405 -11.689 -4.824 1.00 0.00 WT3 H ATOM 36231 H2 TIP3 156 0.842 -4.361 0.838 1.00 0.00 WT3 H ATOM 36232 OH2 TIP3 157 -0.003 -4.723 -7.077 1.00 0.00 WT3 O ATOM 36233 H1 TIP3 157 -0.332 2.837 -7.527 1.00 0.00 WT3 H ATOM 36234 H2 TIP3 157 2.315 -10.803 -8.616 1.00 0.00 WT3 H ATOM 36235 OH2 TIP3 158 -1.289 -0.892 -0.167 1.00 0.00 WT3 O ATOM 36236 H1 TIP3 158 -10.270 12.821 1.254 1.00 0.00 WT3 H ATOM 36237 H2 TIP3 158 9.309 1.986 11.413 1.00 0.00 WT3 H ATOM 36238 OH2 TIP3 159 -0.139 2.533 -0.014 1.00 0.00 WT3 O ATOM 36239 H1 TIP3 159 26.063 7.744 -0.501 1.00 0.00 WT3 H ATOM 36240 H2 TIP3 159 -17.929 2.992 2.932 1.00 0.00 WT3 H ATOM 36241 OH2 TIP3 160 1.628 -4.349 -4.823 1.00 0.00 WT3 O ATOM 36242 H1 TIP3 160 0.162 -4.748 5.738 1.00 0.00 WT3 H ATOM 36243 H2 TIP3 160 -18.500 -15.594 -17.551 1.00 0.00 WT3 H ATOM 36244 OH2 TIP3 161 -0.354 1.477 0.408 1.00 0.00 WT3 O ATOM 36245 H1 TIP3 161 5.568 3.090 -7.886 1.00 0.00 WT3 H ATOM 36246 H2 TIP3 161 12.984 5.404 -30.570 1.00 0.00 WT3 H ATOM 36247 OH2 TIP3 162 5.522 0.294 -2.806 1.00 0.00 WT3 O ATOM 36248 H1 TIP3 162 -0.199 -4.027 -7.122 1.00 0.00 WT3 H ATOM 36249 H2 TIP3 162 10.076 6.080 9.124 1.00 0.00 WT3 H ATOM 36250 OH2 TIP3 164 3.374 -5.601 -4.724 1.00 0.00 WT3 O ATOM 36251 H1 TIP3 164 0.966 -13.156 -4.636 1.00 0.00 WT3 H ATOM 36252 H2 TIP3 164 3.643 -9.360 -4.965 1.00 0.00 WT3 H ATOM 36253 OH2 TIP3 165 -4.663 6.328 -1.181 1.00 0.00 WT3 O ATOM 36254 H1 TIP3 165 -28.608 18.514 -3.581 1.00 0.00 WT3 H ATOM 36255 H2 TIP3 165 -6.806 14.624 29.239 1.00 0.00 WT3 H ATOM 36256 OH2 TIP3 166 8.201 -0.574 2.749 1.00 0.00 WT3 O ATOM 36257 H1 TIP3 166 17.374 5.040 -11.064 1.00 0.00 WT3 H ATOM 36258 H2 TIP3 166 2.367 3.271 17.353 1.00 0.00 WT3 H ATOM 36259 OH2 TIP3 167 -0.260 3.820 2.440 1.00 0.00 WT3 O ATOM 36260 H1 TIP3 167 -26.452 -6.314 -8.393 1.00 0.00 WT3 H ATOM 36261 H2 TIP3 167 -2.305 7.651 0.054 1.00 0.00 WT3 H ATOM 36262 OH2 TIP3 169 -5.948 -1.885 2.820 1.00 0.00 WT3 O ATOM 36263 H1 TIP3 169 -29.286 -6.661 10.050 1.00 0.00 WT3 H ATOM 36264 H2 TIP3 169 9.610 0.686 -2.633 1.00 0.00 WT3 H ATOM 36265 OH2 TIP3 171 5.638 3.260 6.819 1.00 0.00 WT3 O ATOM 36266 H1 TIP3 171 -2.166 -25.755 13.513 1.00 0.00 WT3 H ATOM 36267 H2 TIP3 171 -1.348 3.017 -6.791 1.00 0.00 WT3 H ATOM 36268 OH2 TIP3 176 -0.456 0.860 0.283 1.00 0.00 WT3 O ATOM 36269 H1 TIP3 176 -2.270 -0.685 -12.532 1.00 0.00 WT3 H ATOM 36270 H2 TIP3 176 -3.191 22.537 2.307 1.00 0.00 WT3 H ATOM 36271 OH2 TIP3 177 -5.050 -5.903 0.105 1.00 0.00 WT3 O ATOM 36272 H1 TIP3 177 -18.439 -16.874 19.048 1.00 0.00 WT3 H ATOM 36273 H2 TIP3 177 5.135 -12.172 4.312 1.00 0.00 WT3 H ATOM 36274 OH2 TIP3 180 0.645 6.065 -5.287 1.00 0.00 WT3 O ATOM 36275 H1 TIP3 180 4.669 9.763 -5.415 1.00 0.00 WT3 H ATOM 36276 H2 TIP3 180 7.176 -0.890 -1.073 1.00 0.00 WT3 H ATOM 36277 OH2 TIP3 182 10.573 -3.871 -1.387 1.00 0.00 WT3 O ATOM 36278 H1 TIP3 182 14.301 -3.238 -5.167 1.00 0.00 WT3 H ATOM 36279 H2 TIP3 182 21.642 -3.382 6.680 1.00 0.00 WT3 H ATOM 36280 OH2 TIP3 183 3.906 -0.450 -0.386 1.00 0.00 WT3 O ATOM 36281 H1 TIP3 183 9.215 -8.834 2.541 1.00 0.00 WT3 H ATOM 36282 H2 TIP3 183 5.870 17.730 -3.801 1.00 0.00 WT3 H ATOM 36283 OH2 TIP3 184 4.614 5.682 -7.775 1.00 0.00 WT3 O ATOM 36284 H1 TIP3 184 22.778 1.442 -16.940 1.00 0.00 WT3 H ATOM 36285 H2 TIP3 184 -14.115 -4.900 -3.230 1.00 0.00 WT3 H ATOM 36286 OH2 TIP3 186 -3.804 4.435 -2.086 1.00 0.00 WT3 O ATOM 36287 H1 TIP3 186 12.830 -16.576 -0.654 1.00 0.00 WT3 H ATOM 36288 H2 TIP3 186 -10.178 4.791 8.865 1.00 0.00 WT3 H ATOM 36289 OH2 TIP3 187 -5.672 -3.517 -1.412 1.00 0.00 WT3 O ATOM 36290 H1 TIP3 187 -3.123 -9.020 3.496 1.00 0.00 WT3 H ATOM 36291 H2 TIP3 187 15.066 -4.963 -20.716 1.00 0.00 WT3 H ATOM 36292 OH2 TIP3 188 -1.141 -1.180 4.041 1.00 0.00 WT3 O ATOM 36293 H1 TIP3 188 -25.696 22.445 -3.132 1.00 0.00 WT3 H ATOM 36294 H2 TIP3 188 -28.959 21.832 -4.036 1.00 0.00 WT3 H ATOM 36295 OH2 TIP3 192 1.220 0.048 7.695 1.00 0.00 WT3 O ATOM 36296 H1 TIP3 192 -5.273 -2.184 5.200 1.00 0.00 WT3 H ATOM 36297 H2 TIP3 192 -25.314 -23.251 26.855 1.00 0.00 WT3 H ATOM 36298 OH2 TIP3 193 -3.850 -0.225 -7.408 1.00 0.00 WT3 O ATOM 36299 H1 TIP3 193 -16.800 7.038 -11.096 1.00 0.00 WT3 H ATOM 36300 H2 TIP3 193 16.707 -11.790 -0.646 1.00 0.00 WT3 H ATOM 36301 OH2 TIP3 197 -3.550 2.141 -6.327 1.00 0.00 WT3 O ATOM 36302 H1 TIP3 197 -6.409 -7.407 -17.267 1.00 0.00 WT3 H ATOM 36303 H2 TIP3 197 2.347 23.620 16.268 1.00 0.00 WT3 H ATOM 36304 OH2 TIP3 200 3.078 -1.632 0.264 1.00 0.00 WT3 O ATOM 36305 H1 TIP3 200 2.153 15.135 2.562 1.00 0.00 WT3 H ATOM 36306 H2 TIP3 200 -0.770 -5.902 -8.192 1.00 0.00 WT3 H ATOM 36307 OH2 TIP3 201 -2.444 -1.600 -2.202 1.00 0.00 WT3 O ATOM 36308 H1 TIP3 201 2.595 -13.860 -13.503 1.00 0.00 WT3 H ATOM 36309 H2 TIP3 201 -14.670 -1.202 -14.179 1.00 0.00 WT3 H ATOM 36310 OH2 TIP3 203 0.545 -1.288 0.805 1.00 0.00 WT3 O ATOM 36311 H1 TIP3 203 -7.277 -12.741 -24.494 1.00 0.00 WT3 H ATOM 36312 H2 TIP3 203 -22.909 17.358 17.217 1.00 0.00 WT3 H ATOM 36313 OH2 TIP3 204 -4.962 -5.943 0.395 1.00 0.00 WT3 O ATOM 36314 H1 TIP3 204 10.759 17.289 15.900 1.00 0.00 WT3 H ATOM 36315 H2 TIP3 204 6.235 2.938 6.856 1.00 0.00 WT3 H ATOM 36316 OH2 TIP3 210 3.760 2.514 -3.803 1.00 0.00 WT3 O ATOM 36317 H1 TIP3 210 25.880 26.480 16.751 1.00 0.00 WT3 H ATOM 36318 H2 TIP3 210 -6.644 10.653 1.860 1.00 0.00 WT3 H ATOM 36319 OH2 TIP3 212 -1.028 9.111 -2.713 1.00 0.00 WT3 O ATOM 36320 H1 TIP3 212 -27.457 12.621 1.915 1.00 0.00 WT3 H ATOM 36321 H2 TIP3 212 13.056 -13.607 -6.357 1.00 0.00 WT3 H ATOM 36322 OH2 TIP3 215 -0.655 -4.937 1.058 1.00 0.00 WT3 O ATOM 36323 H1 TIP3 215 -0.603 -14.798 -16.979 1.00 0.00 WT3 H ATOM 36324 H2 TIP3 215 13.962 -9.748 6.051 1.00 0.00 WT3 H ATOM 36325 OH2 TIP3 221 -4.199 -8.468 3.908 1.00 0.00 WT3 O ATOM 36326 H1 TIP3 221 -3.701 -1.522 -0.107 1.00 0.00 WT3 H ATOM 36327 H2 TIP3 221 -3.526 -1.439 12.315 1.00 0.00 WT3 H ATOM 36328 OH2 TIP3 223 0.396 -0.354 -1.726 1.00 0.00 WT3 O ATOM 36329 H1 TIP3 223 4.625 -9.456 -22.059 1.00 0.00 WT3 H ATOM 36330 H2 TIP3 223 -12.267 33.087 -8.446 1.00 0.00 WT3 H ATOM 36331 OH2 TIP3 225 0.021 1.151 3.399 1.00 0.00 WT3 O ATOM 36332 H1 TIP3 225 17.901 -10.798 5.296 1.00 0.00 WT3 H ATOM 36333 H2 TIP3 225 38.985 9.518 -10.829 1.00 0.00 WT3 H ATOM 36334 OH2 TIP3 232 -4.470 -3.120 -2.670 1.00 0.00 WT3 O ATOM 36335 H1 TIP3 232 1.797 -5.269 -7.820 1.00 0.00 WT3 H ATOM 36336 H2 TIP3 232 13.856 -10.704 -14.553 1.00 0.00 WT3 H ATOM 36337 OH2 TIP3 234 -3.633 -3.069 -6.997 1.00 0.00 WT3 O ATOM 36338 H1 TIP3 234 -9.703 -0.282 -10.862 1.00 0.00 WT3 H ATOM 36339 H2 TIP3 234 -7.160 -7.359 -3.049 1.00 0.00 WT3 H ATOM 36340 OH2 TIP3 236 -1.348 5.616 -1.627 1.00 0.00 WT3 O ATOM 36341 H1 TIP3 236 -16.323 -1.996 10.467 1.00 0.00 WT3 H ATOM 36342 H2 TIP3 236 20.622 1.724 -6.426 1.00 0.00 WT3 H ATOM 36343 OH2 TIP3 237 -2.939 0.232 1.973 1.00 0.00 WT3 O ATOM 36344 H1 TIP3 237 -7.097 -2.241 7.472 1.00 0.00 WT3 H ATOM 36345 H2 TIP3 237 1.303 7.176 11.713 1.00 0.00 WT3 H ATOM 36346 OH2 TIP3 239 0.625 -7.492 0.273 1.00 0.00 WT3 O ATOM 36347 H1 TIP3 239 -7.523 -13.114 -0.695 1.00 0.00 WT3 H ATOM 36348 H2 TIP3 239 -11.273 -1.001 5.147 1.00 0.00 WT3 H ATOM 36349 OH2 TIP3 241 1.180 3.212 6.526 1.00 0.00 WT3 O ATOM 36350 H1 TIP3 241 9.869 -5.068 8.404 1.00 0.00 WT3 H ATOM 36351 H2 TIP3 241 1.614 11.417 10.489 1.00 0.00 WT3 H ATOM 36352 OH2 TIP3 245 -4.710 1.723 -6.047 1.00 0.00 WT3 O ATOM 36353 H1 TIP3 245 6.153 -13.432 -9.392 1.00 0.00 WT3 H ATOM 36354 H2 TIP3 245 -8.298 0.819 2.281 1.00 0.00 WT3 H ATOM 36355 OH2 TIP3 256 6.848 -0.219 -5.380 1.00 0.00 WT3 O ATOM 36356 H1 TIP3 256 11.940 -7.720 -2.093 1.00 0.00 WT3 H ATOM 36357 H2 TIP3 256 3.797 -5.575 1.214 1.00 0.00 WT3 H ATOM 36358 OH2 TIP3 261 -0.887 0.670 2.992 1.00 0.00 WT3 O ATOM 36359 H1 TIP3 261 -2.055 -1.239 -0.562 1.00 0.00 WT3 H ATOM 36360 H2 TIP3 261 -5.266 -6.793 -11.050 1.00 0.00 WT3 H ATOM 36361 OH2 TIP3 268 -0.085 -2.011 -8.110 1.00 0.00 WT3 O ATOM 36362 H1 TIP3 268 0.485 21.818 15.028 1.00 0.00 WT3 H ATOM 36363 H2 TIP3 268 -16.711 45.213 4.277 1.00 0.00 WT3 H ATOM 36364 OH2 TIP3 270 0.794 1.321 0.521 1.00 0.00 WT3 O ATOM 36365 H1 TIP3 270 -0.714 3.110 -11.490 1.00 0.00 WT3 H ATOM 36366 H2 TIP3 270 6.700 11.620 7.273 1.00 0.00 WT3 H ATOM 36367 OH2 TIP3 272 2.023 -3.125 0.588 1.00 0.00 WT3 O ATOM 36368 H1 TIP3 272 11.866 -11.577 -2.552 1.00 0.00 WT3 H ATOM 36369 H2 TIP3 272 6.534 -10.611 34.510 1.00 0.00 WT3 H ATOM 36370 OH2 TIP3 282 -4.008 -0.553 -1.407 1.00 0.00 WT3 O ATOM 36371 H1 TIP3 282 6.142 12.500 -7.595 1.00 0.00 WT3 H ATOM 36372 H2 TIP3 282 41.028 -2.545 4.786 1.00 0.00 WT3 H ATOM 36373 OH2 TIP3 287 1.559 -0.970 -2.237 1.00 0.00 WT3 O ATOM 36374 H1 TIP3 287 13.819 0.552 -1.794 1.00 0.00 WT3 H ATOM 36375 H2 TIP3 287 28.177 11.389 2.193 1.00 0.00 WT3 H ATOM 36376 OH2 TIP3 290 -2.702 1.475 2.205 1.00 0.00 WT3 O ATOM 36377 H1 TIP3 290 0.652 5.261 9.576 1.00 0.00 WT3 H ATOM 36378 H2 TIP3 290 6.339 -12.850 -1.270 1.00 0.00 WT3 H ATOM 36379 OH2 TIP3 313 -1.016 -4.902 2.016 1.00 0.00 WT3 O ATOM 36380 H1 TIP3 313 -7.175 -0.609 14.513 1.00 0.00 WT3 H ATOM 36381 H2 TIP3 313 1.440 -14.923 -6.208 1.00 0.00 WT3 H ATOM 36382 OH2 TIP3 360 5.781 -0.286 0.651 1.00 0.00 WT3 O ATOM 36383 H1 TIP3 360 9.853 -0.018 2.181 1.00 0.00 WT3 H ATOM 36384 H2 TIP3 360 1.858 2.602 5.250 1.00 0.00 WT3 H ATOM 36385 OH2 TIP3 365 0.890 2.743 5.129 1.00 0.00 WT3 O ATOM 36386 H1 TIP3 365 -4.194 -2.834 5.485 1.00 0.00 WT3 H ATOM 36387 H2 TIP3 365 7.308 9.035 4.091 1.00 0.00 WT3 H ATOM 36388 OH2 TIP3 370 -5.081 4.246 -8.319 1.00 0.00 WT3 O ATOM 36389 H1 TIP3 370 9.363 -16.781 -25.760 1.00 0.00 WT3 H ATOM 36390 H2 TIP3 370 20.230 13.311 13.717 1.00 0.00 WT3 H ATOM 36391 OH2 TIP3 379 6.864 -4.526 4.583 1.00 0.00 WT3 O ATOM 36392 H1 TIP3 379 13.264 -8.223 -5.190 1.00 0.00 WT3 H ATOM 36393 H2 TIP3 379 9.666 4.183 7.641 1.00 0.00 WT3 H ATOM 36394 OH2 TIP3 400 8.463 -0.746 0.159 1.00 0.00 WT3 O ATOM 36395 H1 TIP3 400 15.101 -19.697 4.230 1.00 0.00 WT3 H ATOM 36396 H2 TIP3 400 11.951 -21.171 -8.725 1.00 0.00 WT3 H ATOM 36397 OH2 TIP3 407 -2.315 -0.127 3.784 1.00 0.00 WT3 O ATOM 36398 H1 TIP3 407 7.836 -11.560 8.620 1.00 0.00 WT3 H ATOM 36399 H2 TIP3 407 -12.130 -10.756 -0.589 1.00 0.00 WT3 H ATOM 36400 OH2 TIP3 408 1.759 -5.038 3.852 1.00 0.00 WT3 O ATOM 36401 H1 TIP3 408 0.855 -8.180 5.981 1.00 0.00 WT3 H ATOM 36402 H2 TIP3 408 -1.376 -3.264 5.329 1.00 0.00 WT3 H ATOM 36403 OH2 TIP3 411 5.460 0.823 5.653 1.00 0.00 WT3 O ATOM 36404 H1 TIP3 411 2.355 -5.092 8.177 1.00 0.00 WT3 H ATOM 36405 H2 TIP3 411 4.653 2.136 6.399 1.00 0.00 WT3 H ATOM 36406 OH2 TIP3 412 7.323 -5.211 -6.010 1.00 0.00 WT3 O ATOM 36407 H1 TIP3 412 8.386 -3.281 -12.122 1.00 0.00 WT3 H ATOM 36408 H2 TIP3 412 10.576 -3.661 -0.223 1.00 0.00 WT3 H ATOM 36409 OH2 TIP3 413 0.376 -0.076 -0.820 1.00 0.00 WT3 O ATOM 36410 H1 TIP3 413 -6.717 9.476 -4.496 1.00 0.00 WT3 H ATOM 36411 H2 TIP3 413 -0.778 2.036 -2.505 1.00 0.00 WT3 H ATOM 36412 OH2 TIP3 417 1.295 -1.180 -2.295 1.00 0.00 WT3 O ATOM 36413 H1 TIP3 417 -5.582 26.116 -0.816 1.00 0.00 WT3 H ATOM 36414 H2 TIP3 417 -10.962 -17.812 21.957 1.00 0.00 WT3 H ATOM 36415 OH2 TIP3 421 2.833 -2.792 2.763 1.00 0.00 WT3 O ATOM 36416 H1 TIP3 421 12.857 -1.637 0.288 1.00 0.00 WT3 H ATOM 36417 H2 TIP3 421 2.598 -0.728 15.397 1.00 0.00 WT3 H ATOM 36418 OH2 TIP3 424 4.415 -3.954 1.580 1.00 0.00 WT3 O ATOM 36419 H1 TIP3 424 0.839 7.440 3.630 1.00 0.00 WT3 H ATOM 36420 H2 TIP3 424 0.494 8.479 -0.314 1.00 0.00 WT3 H ATOM 36421 OH2 TIP3 429 5.322 3.715 0.195 1.00 0.00 WT3 O ATOM 36422 H1 TIP3 429 -0.759 -4.432 -36.542 1.00 0.00 WT3 H ATOM 36423 H2 TIP3 429 4.366 3.909 13.900 1.00 0.00 WT3 H ATOM 36424 OH2 TIP3 430 1.935 -0.658 3.019 1.00 0.00 WT3 O ATOM 36425 H1 TIP3 430 20.973 -6.048 3.209 1.00 0.00 WT3 H ATOM 36426 H2 TIP3 430 -3.307 -12.032 1.186 1.00 0.00 WT3 H ATOM 36427 OH2 TIP3 432 -1.037 -6.006 4.877 1.00 0.00 WT3 O ATOM 36428 H1 TIP3 432 -9.492 2.811 2.486 1.00 0.00 WT3 H ATOM 36429 H2 TIP3 432 -2.432 -16.458 15.652 1.00 0.00 WT3 H ATOM 36430 OH2 TIP3 434 3.815 2.160 4.485 1.00 0.00 WT3 O ATOM 36431 H1 TIP3 434 -4.657 -1.989 1.765 1.00 0.00 WT3 H ATOM 36432 H2 TIP3 434 13.035 -2.526 7.315 1.00 0.00 WT3 H ATOM 36433 OH2 TIP3 436 0.198 3.632 -3.916 1.00 0.00 WT3 O ATOM 36434 H1 TIP3 436 14.521 18.579 8.798 1.00 0.00 WT3 H ATOM 36435 H2 TIP3 436 1.329 11.823 0.651 1.00 0.00 WT3 H ATOM 36436 OH2 TIP3 437 4.903 0.896 -2.430 1.00 0.00 WT3 O ATOM 36437 H1 TIP3 437 10.203 7.408 14.457 1.00 0.00 WT3 H ATOM 36438 H2 TIP3 437 0.512 -7.328 -24.522 1.00 0.00 WT3 H ATOM 36439 OH2 TIP3 438 2.527 1.647 -5.096 1.00 0.00 WT3 O ATOM 36440 H1 TIP3 438 -13.036 -3.163 -2.239 1.00 0.00 WT3 H ATOM 36441 H2 TIP3 438 -1.148 -7.339 9.314 1.00 0.00 WT3 H ATOM 36442 OH2 TIP3 440 -0.154 -1.377 -5.829 1.00 0.00 WT3 O ATOM 36443 H1 TIP3 440 -3.963 -3.879 3.097 1.00 0.00 WT3 H ATOM 36444 H2 TIP3 440 16.834 6.878 -35.414 1.00 0.00 WT3 H ATOM 36445 OH2 TIP3 441 5.160 4.509 -0.982 1.00 0.00 WT3 O ATOM 36446 H1 TIP3 441 6.787 3.348 3.274 1.00 0.00 WT3 H ATOM 36447 H2 TIP3 441 12.679 5.624 -0.071 1.00 0.00 WT3 H ATOM 36448 OH2 TIP3 442 2.987 -3.053 -3.100 1.00 0.00 WT3 O ATOM 36449 H1 TIP3 442 16.702 18.690 5.623 1.00 0.00 WT3 H ATOM 36450 H2 TIP3 442 16.723 -13.965 -18.413 1.00 0.00 WT3 H ATOM 36451 OH2 TIP3 443 -1.258 -0.426 -1.894 1.00 0.00 WT3 O ATOM 36452 H1 TIP3 443 2.311 9.984 -3.988 1.00 0.00 WT3 H ATOM 36453 H2 TIP3 443 -7.005 0.574 -0.266 1.00 0.00 WT3 H ATOM 36454 OH2 TIP3 444 -11.372 3.700 5.309 1.00 0.00 WT3 O ATOM 36455 H1 TIP3 444 -6.397 26.880 -9.526 1.00 0.00 WT3 H ATOM 36456 H2 TIP3 444 -3.267 -23.938 -13.783 1.00 0.00 WT3 H ATOM 36457 OH2 TIP3 447 -3.359 -0.693 -4.961 1.00 0.00 WT3 O ATOM 36458 H1 TIP3 447 -10.805 0.016 -18.850 1.00 0.00 WT3 H ATOM 36459 H2 TIP3 447 0.728 15.598 -4.623 1.00 0.00 WT3 H ATOM 36460 OH2 TIP3 449 -2.812 13.681 -3.822 1.00 0.00 WT3 O ATOM 36461 H1 TIP3 449 7.523 23.081 3.164 1.00 0.00 WT3 H ATOM 36462 H2 TIP3 449 44.072 23.522 4.196 1.00 0.00 WT3 H ATOM 36463 OH2 TIP3 450 -1.663 3.202 1.613 1.00 0.00 WT3 O ATOM 36464 H1 TIP3 450 15.952 -12.406 -1.322 1.00 0.00 WT3 H ATOM 36465 H2 TIP3 450 -1.032 14.320 -12.021 1.00 0.00 WT3 H ATOM 36466 OH2 TIP3 451 -0.985 0.500 2.377 1.00 0.00 WT3 O ATOM 36467 H1 TIP3 451 -4.174 17.312 13.004 1.00 0.00 WT3 H ATOM 36468 H2 TIP3 451 2.230 7.246 -18.994 1.00 0.00 WT3 H ATOM 36469 OH2 TIP3 452 -1.708 -9.534 4.137 1.00 0.00 WT3 O ATOM 36470 H1 TIP3 452 -17.913 -12.043 13.787 1.00 0.00 WT3 H ATOM 36471 H2 TIP3 452 8.590 -11.526 -2.832 1.00 0.00 WT3 H ATOM 36472 OH2 TIP3 453 0.634 -1.235 7.280 1.00 0.00 WT3 O ATOM 36473 H1 TIP3 453 9.547 3.984 11.485 1.00 0.00 WT3 H ATOM 36474 H2 TIP3 453 2.081 8.279 20.427 1.00 0.00 WT3 H ATOM 36475 OH2 TIP3 455 -6.562 3.543 0.943 1.00 0.00 WT3 O ATOM 36476 H1 TIP3 455 -15.350 11.766 8.405 1.00 0.00 WT3 H ATOM 36477 H2 TIP3 455 9.268 -5.041 -9.080 1.00 0.00 WT3 H ATOM 36478 OH2 TIP3 457 -5.612 2.298 1.324 1.00 0.00 WT3 O ATOM 36479 H1 TIP3 457 -12.371 -0.071 -3.026 1.00 0.00 WT3 H ATOM 36480 H2 TIP3 457 -2.456 0.179 -11.255 1.00 0.00 WT3 H ATOM 36481 OH2 TIP3 458 -6.288 3.686 -0.902 1.00 0.00 WT3 O ATOM 36482 H1 TIP3 458 -10.180 7.431 16.822 1.00 0.00 WT3 H ATOM 36483 H2 TIP3 458 -21.952 -1.073 -7.235 1.00 0.00 WT3 H ATOM 36484 OH2 TIP3 459 3.327 -1.613 -5.124 1.00 0.00 WT3 O ATOM 36485 H1 TIP3 459 4.092 -2.939 -4.686 1.00 0.00 WT3 H ATOM 36486 H2 TIP3 459 -12.341 14.956 -12.245 1.00 0.00 WT3 H ATOM 36487 OH2 TIP3 461 -0.464 -6.718 -0.002 1.00 0.00 WT3 O ATOM 36488 H1 TIP3 461 -9.190 -11.089 2.954 1.00 0.00 WT3 H ATOM 36489 H2 TIP3 461 6.292 -5.026 -2.978 1.00 0.00 WT3 H ATOM 36490 OH2 TIP3 462 0.294 4.582 -5.158 1.00 0.00 WT3 O ATOM 36491 H1 TIP3 462 -5.177 2.366 4.190 1.00 0.00 WT3 H ATOM 36492 H2 TIP3 462 2.178 4.980 -8.105 1.00 0.00 WT3 H ATOM 36493 OH2 TIP3 463 -1.048 0.705 -6.351 1.00 0.00 WT3 O ATOM 36494 H1 TIP3 463 8.001 2.083 -0.779 1.00 0.00 WT3 H ATOM 36495 H2 TIP3 463 -2.318 1.596 -9.390 1.00 0.00 WT3 H ATOM 36496 OH2 TIP3 465 1.643 0.886 1.214 1.00 0.00 WT3 O ATOM 36497 H1 TIP3 465 -14.036 2.702 24.696 1.00 0.00 WT3 H ATOM 36498 H2 TIP3 465 22.223 18.996 10.222 1.00 0.00 WT3 H ATOM 36499 OH2 TIP3 466 -0.774 -4.353 -6.105 1.00 0.00 WT3 O ATOM 36500 H1 TIP3 466 -5.304 -1.823 0.577 1.00 0.00 WT3 H ATOM 36501 H2 TIP3 466 6.334 -13.030 -2.827 1.00 0.00 WT3 H ATOM 36502 OH2 TIP3 467 2.026 4.688 3.721 1.00 0.00 WT3 O ATOM 36503 H1 TIP3 467 9.883 -7.723 -22.168 1.00 0.00 WT3 H ATOM 36504 H2 TIP3 467 -11.288 22.227 -10.880 1.00 0.00 WT3 H ATOM 36505 OH2 TIP3 469 -0.526 3.255 0.372 1.00 0.00 WT3 O ATOM 36506 H1 TIP3 469 1.130 9.515 0.091 1.00 0.00 WT3 H ATOM 36507 H2 TIP3 469 26.992 7.552 -7.507 1.00 0.00 WT3 H ATOM 36508 OH2 TIP3 473 1.551 4.804 -4.507 1.00 0.00 WT3 O ATOM 36509 H1 TIP3 473 3.739 4.721 -10.607 1.00 0.00 WT3 H ATOM 36510 H2 TIP3 473 -1.823 8.968 -4.446 1.00 0.00 WT3 H ATOM 36511 OH2 TIP3 474 -1.791 5.504 6.121 1.00 0.00 WT3 O ATOM 36512 H1 TIP3 474 11.707 -10.267 3.270 1.00 0.00 WT3 H ATOM 36513 H2 TIP3 474 7.863 -4.424 -14.789 1.00 0.00 WT3 H ATOM 36514 OH2 TIP3 478 -9.698 3.561 -0.723 1.00 0.00 WT3 O ATOM 36515 H1 TIP3 478 -2.101 3.304 9.705 1.00 0.00 WT3 H ATOM 36516 H2 TIP3 478 2.637 4.343 -13.326 1.00 0.00 WT3 H ATOM 36517 OH2 TIP3 479 0.483 1.046 -1.263 1.00 0.00 WT3 O ATOM 36518 H1 TIP3 479 -3.210 8.394 5.620 1.00 0.00 WT3 H ATOM 36519 H2 TIP3 479 9.280 -2.632 -9.103 1.00 0.00 WT3 H ATOM 36520 OH2 TIP3 484 -3.181 6.379 -1.958 1.00 0.00 WT3 O ATOM 36521 H1 TIP3 484 -26.400 1.516 -10.978 1.00 0.00 WT3 H ATOM 36522 H2 TIP3 484 0.838 -13.699 5.005 1.00 0.00 WT3 H ATOM 36523 OH2 TIP3 485 0.256 2.364 1.960 1.00 0.00 WT3 O ATOM 36524 H1 TIP3 485 4.540 -12.374 14.033 1.00 0.00 WT3 H ATOM 36525 H2 TIP3 485 -17.332 10.989 2.034 1.00 0.00 WT3 H ATOM 36526 OH2 TIP3 486 1.976 -2.157 2.591 1.00 0.00 WT3 O ATOM 36527 H1 TIP3 486 -7.072 -7.191 -0.798 1.00 0.00 WT3 H ATOM 36528 H2 TIP3 486 0.374 3.091 14.244 1.00 0.00 WT3 H ATOM 36529 OH2 TIP3 487 -1.019 2.766 1.496 1.00 0.00 WT3 O ATOM 36530 H1 TIP3 487 -8.102 -7.973 1.357 1.00 0.00 WT3 H ATOM 36531 H2 TIP3 487 1.606 5.046 1.560 1.00 0.00 WT3 H ATOM 36532 OH2 TIP3 488 6.319 -2.606 2.890 1.00 0.00 WT3 O ATOM 36533 H1 TIP3 488 -3.333 16.265 18.317 1.00 0.00 WT3 H ATOM 36534 H2 TIP3 488 14.200 -6.364 9.061 1.00 0.00 WT3 H ATOM 36535 OH2 TIP3 489 -5.664 5.863 -2.832 1.00 0.00 WT3 O ATOM 36536 H1 TIP3 489 -13.266 10.629 -15.310 1.00 0.00 WT3 H ATOM 36537 H2 TIP3 489 2.675 1.520 5.313 1.00 0.00 WT3 H ATOM 36538 OH2 TIP3 490 3.471 -5.892 3.726 1.00 0.00 WT3 O ATOM 36539 H1 TIP3 490 -11.971 15.985 -11.302 1.00 0.00 WT3 H ATOM 36540 H2 TIP3 490 -17.874 -27.142 -1.989 1.00 0.00 WT3 H ATOM 36541 OH2 TIP3 491 1.944 0.095 -6.055 1.00 0.00 WT3 O ATOM 36542 H1 TIP3 491 0.854 -1.119 3.092 1.00 0.00 WT3 H ATOM 36543 H2 TIP3 491 -2.289 -13.530 9.582 1.00 0.00 WT3 H ATOM 36544 OH2 TIP3 492 -0.988 -7.889 6.869 1.00 0.00 WT3 O ATOM 36545 H1 TIP3 492 -5.220 -6.794 8.644 1.00 0.00 WT3 H ATOM 36546 H2 TIP3 492 4.502 4.960 3.316 1.00 0.00 WT3 H ATOM 36547 OH2 TIP3 493 -6.350 5.251 8.103 1.00 0.00 WT3 O ATOM 36548 H1 TIP3 493 -0.150 11.784 11.164 1.00 0.00 WT3 H ATOM 36549 H2 TIP3 493 -13.299 9.167 10.908 1.00 0.00 WT3 H ATOM 36550 OH2 TIP3 494 -1.090 3.785 3.389 1.00 0.00 WT3 O ATOM 36551 H1 TIP3 494 5.932 -9.277 -8.189 1.00 0.00 WT3 H ATOM 36552 H2 TIP3 494 5.677 -3.227 -17.012 1.00 0.00 WT3 H ATOM 36553 OH2 TIP3 495 -1.606 8.132 0.436 1.00 0.00 WT3 O ATOM 36554 H1 TIP3 495 -13.529 28.658 10.529 1.00 0.00 WT3 H ATOM 36555 H2 TIP3 495 1.202 2.590 -20.344 1.00 0.00 WT3 H ATOM 36556 OH2 TIP3 497 2.771 -5.315 1.791 1.00 0.00 WT3 O ATOM 36557 H1 TIP3 497 7.752 -17.419 0.113 1.00 0.00 WT3 H ATOM 36558 H2 TIP3 497 -7.951 6.094 0.305 1.00 0.00 WT3 H ATOM 36559 OH2 TIP3 498 5.092 -1.821 1.392 1.00 0.00 WT3 O ATOM 36560 H1 TIP3 498 -8.924 -12.277 -34.343 1.00 0.00 WT3 H ATOM 36561 H2 TIP3 498 17.328 -15.992 1.064 1.00 0.00 WT3 H ATOM 36562 OH2 TIP3 499 4.366 -5.799 0.133 1.00 0.00 WT3 O ATOM 36563 H1 TIP3 499 28.483 -19.487 4.707 1.00 0.00 WT3 H ATOM 36564 H2 TIP3 499 -8.424 -11.115 14.414 1.00 0.00 WT3 H ATOM 36565 OH2 TIP3 500 -2.568 1.957 3.246 1.00 0.00 WT3 O ATOM 36566 H1 TIP3 500 -0.009 -4.044 3.714 1.00 0.00 WT3 H ATOM 36567 H2 TIP3 500 -6.974 13.758 1.478 1.00 0.00 WT3 H ATOM 36568 OH2 TIP3 501 -6.045 -2.564 -5.729 1.00 0.00 WT3 O ATOM 36569 H1 TIP3 501 -1.067 -2.959 -4.183 1.00 0.00 WT3 H ATOM 36570 H2 TIP3 501 -7.136 -4.397 3.842 1.00 0.00 WT3 H ATOM 36571 OH2 TIP3 502 0.523 3.294 -3.796 1.00 0.00 WT3 O ATOM 36572 H1 TIP3 502 6.083 6.666 -3.035 1.00 0.00 WT3 H ATOM 36573 H2 TIP3 502 -18.245 -16.226 -10.400 1.00 0.00 WT3 H ATOM 36574 OH2 TIP3 503 0.838 -2.967 -2.905 1.00 0.00 WT3 O ATOM 36575 H1 TIP3 503 8.888 1.762 5.952 1.00 0.00 WT3 H ATOM 36576 H2 TIP3 503 1.693 -17.159 -2.333 1.00 0.00 WT3 H ATOM 36577 OH2 TIP3 504 2.054 -0.816 1.415 1.00 0.00 WT3 O ATOM 36578 H1 TIP3 504 -2.151 4.126 -28.293 1.00 0.00 WT3 H ATOM 36579 H2 TIP3 504 -1.452 -16.720 -19.810 1.00 0.00 WT3 H ATOM 36580 OH2 TIP3 505 2.107 -0.535 -3.615 1.00 0.00 WT3 O ATOM 36581 H1 TIP3 505 4.093 8.782 -2.269 1.00 0.00 WT3 H ATOM 36582 H2 TIP3 505 0.939 0.714 0.846 1.00 0.00 WT3 H ATOM 36583 OH2 TIP3 506 6.986 4.420 2.460 1.00 0.00 WT3 O ATOM 36584 H1 TIP3 506 -16.069 -4.851 2.857 1.00 0.00 WT3 H ATOM 36585 H2 TIP3 506 -10.457 -8.006 12.585 1.00 0.00 WT3 H ATOM 36586 OH2 TIP3 507 -6.993 -0.931 -1.325 1.00 0.00 WT3 O ATOM 36587 H1 TIP3 507 -13.190 -26.377 3.734 1.00 0.00 WT3 H ATOM 36588 H2 TIP3 507 14.107 15.373 -2.632 1.00 0.00 WT3 H ATOM 36589 OH2 TIP3 508 5.004 3.151 -0.672 1.00 0.00 WT3 O ATOM 36590 H1 TIP3 508 -0.456 3.057 -2.095 1.00 0.00 WT3 H ATOM 36591 H2 TIP3 508 -1.373 -3.681 -1.290 1.00 0.00 WT3 H ATOM 36592 OH2 TIP3 509 -0.306 7.679 4.544 1.00 0.00 WT3 O ATOM 36593 H1 TIP3 509 -24.179 35.817 31.089 1.00 0.00 WT3 H ATOM 36594 H2 TIP3 509 5.311 29.486 20.140 1.00 0.00 WT3 H ATOM 36595 OH2 TIP3 510 3.023 -1.678 4.696 1.00 0.00 WT3 O ATOM 36596 H1 TIP3 510 3.183 -3.580 -4.274 1.00 0.00 WT3 H ATOM 36597 H2 TIP3 510 2.977 0.580 12.919 1.00 0.00 WT3 H ATOM 36598 OH2 TIP3 511 2.758 7.474 -4.608 1.00 0.00 WT3 O ATOM 36599 H1 TIP3 511 8.681 12.997 -9.214 1.00 0.00 WT3 H ATOM 36600 H2 TIP3 511 13.406 5.273 9.244 1.00 0.00 WT3 H ATOM 36601 OH2 TIP3 512 4.970 1.545 4.942 1.00 0.00 WT3 O ATOM 36602 H1 TIP3 512 3.381 -4.258 -9.487 1.00 0.00 WT3 H ATOM 36603 H2 TIP3 512 5.930 -30.328 6.193 1.00 0.00 WT3 H ATOM 36604 OH2 TIP3 513 7.034 -0.445 2.424 1.00 0.00 WT3 O ATOM 36605 H1 TIP3 513 -10.419 -5.933 -9.024 1.00 0.00 WT3 H ATOM 36606 H2 TIP3 513 12.622 -10.652 5.011 1.00 0.00 WT3 H ATOM 36607 OH2 TIP3 514 2.825 2.304 2.442 1.00 0.00 WT3 O ATOM 36608 H1 TIP3 514 -4.718 8.731 -2.514 1.00 0.00 WT3 H ATOM 36609 H2 TIP3 514 -2.205 -1.641 -4.390 1.00 0.00 WT3 H ATOM 36610 OH2 TIP3 515 -2.287 3.411 -1.345 1.00 0.00 WT3 O ATOM 36611 H1 TIP3 515 -3.015 -5.409 15.535 1.00 0.00 WT3 H ATOM 36612 H2 TIP3 515 12.948 12.139 -0.049 1.00 0.00 WT3 H ATOM 36613 OH2 TIP3 516 1.258 -2.052 -1.012 1.00 0.00 WT3 O ATOM 36614 H1 TIP3 516 -8.864 0.179 -2.075 1.00 0.00 WT3 H ATOM 36615 H2 TIP3 516 0.991 4.849 -17.080 1.00 0.00 WT3 H ATOM 36616 OH2 TIP3 517 -1.086 1.143 -7.500 1.00 0.00 WT3 O ATOM 36617 H1 TIP3 517 1.034 -23.850 8.296 1.00 0.00 WT3 H ATOM 36618 H2 TIP3 517 -0.176 1.343 -4.436 1.00 0.00 WT3 H ATOM 36619 OH2 TIP3 518 6.374 0.218 3.890 1.00 0.00 WT3 O ATOM 36620 H1 TIP3 518 4.260 6.774 24.038 1.00 0.00 WT3 H ATOM 36621 H2 TIP3 518 5.499 -20.797 1.958 1.00 0.00 WT3 H ATOM 36622 OH2 TIP3 519 -3.437 1.941 0.684 1.00 0.00 WT3 O ATOM 36623 H1 TIP3 519 23.933 24.782 -22.806 1.00 0.00 WT3 H ATOM 36624 H2 TIP3 519 -13.336 -23.300 26.321 1.00 0.00 WT3 H ATOM 36625 OH2 TIP3 522 3.048 -0.791 5.151 1.00 0.00 WT3 O ATOM 36626 H1 TIP3 522 23.696 11.783 7.484 1.00 0.00 WT3 H ATOM 36627 H2 TIP3 522 4.210 -16.379 -10.519 1.00 0.00 WT3 H ATOM 36628 OH2 TIP3 523 -0.838 7.406 -2.564 1.00 0.00 WT3 O ATOM 36629 H1 TIP3 523 -2.715 6.302 0.381 1.00 0.00 WT3 H ATOM 36630 H2 TIP3 523 -2.654 -0.036 -1.430 1.00 0.00 WT3 H ATOM 36631 OH2 TIP3 524 0.554 1.379 -1.771 1.00 0.00 WT3 O ATOM 36632 H1 TIP3 524 -26.356 -16.349 -21.094 1.00 0.00 WT3 H ATOM 36633 H2 TIP3 524 12.860 14.819 21.771 1.00 0.00 WT3 H ATOM 36634 OH2 TIP3 525 3.910 -1.262 5.011 1.00 0.00 WT3 O ATOM 36635 H1 TIP3 525 11.289 0.890 6.058 1.00 0.00 WT3 H ATOM 36636 H2 TIP3 525 4.012 -9.707 -1.200 1.00 0.00 WT3 H ATOM 36637 OH2 TIP3 526 3.976 5.675 -0.790 1.00 0.00 WT3 O ATOM 36638 H1 TIP3 526 5.159 8.079 -11.793 1.00 0.00 WT3 H ATOM 36639 H2 TIP3 526 10.781 -8.235 -0.507 1.00 0.00 WT3 H ATOM 36640 OH2 TIP3 527 0.255 2.548 -0.331 1.00 0.00 WT3 O ATOM 36641 H1 TIP3 527 6.170 3.245 -37.199 1.00 0.00 WT3 H ATOM 36642 H2 TIP3 527 1.608 2.908 -9.173 1.00 0.00 WT3 H ATOM 36643 OH2 TIP3 528 12.324 -6.420 -0.953 1.00 0.00 WT3 O ATOM 36644 H1 TIP3 528 -2.786 -9.408 0.042 1.00 0.00 WT3 H ATOM 36645 H2 TIP3 528 28.546 -4.926 13.344 1.00 0.00 WT3 H ATOM 36646 OH2 TIP3 529 0.928 2.328 -2.412 1.00 0.00 WT3 O ATOM 36647 H1 TIP3 529 -13.193 12.597 -5.521 1.00 0.00 WT3 H ATOM 36648 H2 TIP3 529 -4.856 19.261 0.481 1.00 0.00 WT3 H ATOM 36649 OH2 TIP3 530 -5.163 0.768 -1.370 1.00 0.00 WT3 O ATOM 36650 H1 TIP3 530 -3.866 -23.504 -10.285 1.00 0.00 WT3 H ATOM 36651 H2 TIP3 530 -2.137 -10.703 -20.704 1.00 0.00 WT3 H ATOM 36652 OH2 TIP3 532 3.333 -5.721 0.504 1.00 0.00 WT3 O ATOM 36653 H1 TIP3 532 -5.965 1.891 7.805 1.00 0.00 WT3 H ATOM 36654 H2 TIP3 532 8.442 -11.824 -1.930 1.00 0.00 WT3 H ATOM 36655 OH2 TIP3 533 -1.668 -4.586 -1.791 1.00 0.00 WT3 O ATOM 36656 H1 TIP3 533 9.560 -13.598 11.351 1.00 0.00 WT3 H ATOM 36657 H2 TIP3 533 10.779 -13.770 7.985 1.00 0.00 WT3 H ATOM 36658 OH2 TIP3 534 4.044 -3.830 -0.375 1.00 0.00 WT3 O ATOM 36659 H1 TIP3 534 -6.039 12.124 1.757 1.00 0.00 WT3 H ATOM 36660 H2 TIP3 534 -23.223 17.960 5.741 1.00 0.00 WT3 H ATOM 36661 OH2 TIP3 535 -2.584 -0.258 -2.550 1.00 0.00 WT3 O ATOM 36662 H1 TIP3 535 -6.635 1.214 -5.108 1.00 0.00 WT3 H ATOM 36663 H2 TIP3 535 1.596 -1.911 -2.120 1.00 0.00 WT3 H ATOM 36664 OH2 TIP3 536 -5.915 3.210 7.846 1.00 0.00 WT3 O ATOM 36665 H1 TIP3 536 4.817 -14.404 2.524 1.00 0.00 WT3 H ATOM 36666 H2 TIP3 536 -7.495 13.742 -10.114 1.00 0.00 WT3 H ATOM 36667 OH2 TIP3 538 0.436 1.865 -7.553 1.00 0.00 WT3 O ATOM 36668 H1 TIP3 538 -22.998 18.854 6.524 1.00 0.00 WT3 H ATOM 36669 H2 TIP3 538 -19.980 -33.596 30.060 1.00 0.00 WT3 H ATOM 36670 OH2 TIP3 539 -4.346 -4.125 -5.041 1.00 0.00 WT3 O ATOM 36671 H1 TIP3 539 -10.820 2.931 -2.509 1.00 0.00 WT3 H ATOM 36672 H2 TIP3 539 6.350 2.697 -15.988 1.00 0.00 WT3 H ATOM 36673 OH2 TIP3 540 -1.846 -9.588 1.984 1.00 0.00 WT3 O ATOM 36674 H1 TIP3 540 -6.102 -5.334 0.070 1.00 0.00 WT3 H ATOM 36675 H2 TIP3 540 -2.846 -14.835 7.449 1.00 0.00 WT3 H ATOM 36676 OH2 TIP3 541 7.349 0.602 0.846 1.00 0.00 WT3 O ATOM 36677 H1 TIP3 541 10.052 -3.193 12.472 1.00 0.00 WT3 H ATOM 36678 H2 TIP3 541 5.366 3.003 6.272 1.00 0.00 WT3 H ATOM 36679 OH2 TIP3 542 3.007 7.155 2.545 1.00 0.00 WT3 O ATOM 36680 H1 TIP3 542 35.604 -3.541 -1.354 1.00 0.00 WT3 H ATOM 36681 H2 TIP3 542 -19.384 17.485 -37.589 1.00 0.00 WT3 H ATOM 36682 OH2 TIP3 543 0.130 4.944 0.911 1.00 0.00 WT3 O ATOM 36683 H1 TIP3 543 2.818 -10.246 2.220 1.00 0.00 WT3 H ATOM 36684 H2 TIP3 543 3.123 -8.600 2.280 1.00 0.00 WT3 H ATOM 36685 OH2 TIP3 544 -7.462 3.919 0.622 1.00 0.00 WT3 O ATOM 36686 H1 TIP3 544 25.474 14.971 10.185 1.00 0.00 WT3 H ATOM 36687 H2 TIP3 544 -14.455 3.317 -0.419 1.00 0.00 WT3 H ATOM 36688 OH2 TIP3 546 1.396 2.668 -0.485 1.00 0.00 WT3 O ATOM 36689 H1 TIP3 546 -10.340 8.299 -16.336 1.00 0.00 WT3 H ATOM 36690 H2 TIP3 546 8.155 -0.102 10.786 1.00 0.00 WT3 H ATOM 36691 OH2 TIP3 547 5.316 -0.150 -1.985 1.00 0.00 WT3 O ATOM 36692 H1 TIP3 547 -25.473 0.071 4.688 1.00 0.00 WT3 H ATOM 36693 H2 TIP3 547 -1.473 1.583 -0.106 1.00 0.00 WT3 H ATOM 36694 OH2 TIP3 549 -5.888 -8.716 -3.823 1.00 0.00 WT3 O ATOM 36695 H1 TIP3 549 19.533 7.799 -27.243 1.00 0.00 WT3 H ATOM 36696 H2 TIP3 549 11.472 7.149 -19.702 1.00 0.00 WT3 H ATOM 36697 OH2 TIP3 550 -8.409 -3.777 2.197 1.00 0.00 WT3 O ATOM 36698 H1 TIP3 550 -2.687 -2.323 9.514 1.00 0.00 WT3 H ATOM 36699 H2 TIP3 550 -2.691 2.116 12.231 1.00 0.00 WT3 H ATOM 36700 OH2 TIP3 551 -0.894 -0.882 0.401 1.00 0.00 WT3 O ATOM 36701 H1 TIP3 551 6.697 -4.656 -2.497 1.00 0.00 WT3 H ATOM 36702 H2 TIP3 551 -1.842 2.962 8.168 1.00 0.00 WT3 H ATOM 36703 OH2 TIP3 552 3.668 -2.970 2.429 1.00 0.00 WT3 O ATOM 36704 H1 TIP3 552 0.713 -3.079 4.209 1.00 0.00 WT3 H ATOM 36705 H2 TIP3 552 3.455 3.827 -0.660 1.00 0.00 WT3 H ATOM 36706 OH2 TIP3 553 -4.676 -6.613 -0.053 1.00 0.00 WT3 O ATOM 36707 H1 TIP3 553 3.884 -5.879 23.116 1.00 0.00 WT3 H ATOM 36708 H2 TIP3 553 6.943 -29.524 -9.533 1.00 0.00 WT3 H ATOM 36709 OH2 TIP3 554 4.257 1.167 -7.115 1.00 0.00 WT3 O ATOM 36710 H1 TIP3 554 10.377 -26.649 -7.983 1.00 0.00 WT3 H ATOM 36711 H2 TIP3 554 -10.292 8.955 -12.129 1.00 0.00 WT3 H ATOM 36712 OH2 TIP3 555 -3.627 1.799 5.787 1.00 0.00 WT3 O ATOM 36713 H1 TIP3 555 -5.447 4.482 11.526 1.00 0.00 WT3 H ATOM 36714 H2 TIP3 555 -0.148 -10.523 -5.482 1.00 0.00 WT3 H ATOM 36715 OH2 TIP3 556 5.173 -0.820 -1.847 1.00 0.00 WT3 O ATOM 36716 H1 TIP3 556 1.809 30.998 -16.807 1.00 0.00 WT3 H ATOM 36717 H2 TIP3 556 -16.728 -29.549 -1.535 1.00 0.00 WT3 H ATOM 36718 OH2 TIP3 558 -2.228 7.227 -1.638 1.00 0.00 WT3 O ATOM 36719 H1 TIP3 558 2.596 0.666 -0.453 1.00 0.00 WT3 H ATOM 36720 H2 TIP3 558 -6.388 -2.804 -2.533 1.00 0.00 WT3 H ATOM 36721 OH2 TIP3 559 -5.260 3.044 2.691 1.00 0.00 WT3 O ATOM 36722 H1 TIP3 559 -1.908 7.721 -5.225 1.00 0.00 WT3 H ATOM 36723 H2 TIP3 559 2.695 16.174 -11.709 1.00 0.00 WT3 H ATOM 36724 OH2 TIP3 560 -3.253 -0.676 0.975 1.00 0.00 WT3 O ATOM 36725 H1 TIP3 560 1.194 -8.538 -3.623 1.00 0.00 WT3 H ATOM 36726 H2 TIP3 560 1.903 3.755 13.032 1.00 0.00 WT3 H ATOM 36727 OH2 TIP3 561 2.775 1.706 -0.285 1.00 0.00 WT3 O ATOM 36728 H1 TIP3 561 -25.274 1.438 7.922 1.00 0.00 WT3 H ATOM 36729 H2 TIP3 561 13.676 -0.837 -14.238 1.00 0.00 WT3 H ATOM 36730 OH2 TIP3 562 -3.262 3.236 -2.765 1.00 0.00 WT3 O ATOM 36731 H1 TIP3 562 -11.909 -2.231 -0.493 1.00 0.00 WT3 H ATOM 36732 H2 TIP3 562 -9.658 -13.006 2.415 1.00 0.00 WT3 H ATOM 36733 OH2 TIP3 563 -5.026 2.253 -5.205 1.00 0.00 WT3 O ATOM 36734 H1 TIP3 563 1.301 -9.743 -18.588 1.00 0.00 WT3 H ATOM 36735 H2 TIP3 563 -1.174 5.224 5.068 1.00 0.00 WT3 H ATOM 36736 OH2 TIP3 564 3.216 2.205 -1.652 1.00 0.00 WT3 O ATOM 36737 H1 TIP3 564 0.029 4.952 -12.399 1.00 0.00 WT3 H ATOM 36738 H2 TIP3 564 6.031 -0.643 -27.867 1.00 0.00 WT3 H ATOM 36739 OH2 TIP3 565 -8.345 3.305 3.809 1.00 0.00 WT3 O ATOM 36740 H1 TIP3 565 -31.849 -12.430 1.130 1.00 0.00 WT3 H ATOM 36741 H2 TIP3 565 16.559 -6.944 -15.863 1.00 0.00 WT3 H ATOM 36742 OH2 TIP3 568 -1.310 -0.705 4.049 1.00 0.00 WT3 O ATOM 36743 H1 TIP3 568 -2.702 19.852 -13.790 1.00 0.00 WT3 H ATOM 36744 H2 TIP3 568 -3.053 12.688 9.661 1.00 0.00 WT3 H ATOM 36745 OH2 TIP3 569 8.285 -0.356 -1.289 1.00 0.00 WT3 O ATOM 36746 H1 TIP3 569 10.640 8.603 8.666 1.00 0.00 WT3 H ATOM 36747 H2 TIP3 569 13.969 0.415 -5.290 1.00 0.00 WT3 H ATOM 36748 OH2 TIP3 571 -0.446 2.419 4.182 1.00 0.00 WT3 O ATOM 36749 H1 TIP3 571 14.844 6.084 -7.919 1.00 0.00 WT3 H ATOM 36750 H2 TIP3 571 23.893 -7.836 15.306 1.00 0.00 WT3 H ATOM 36751 OH2 TIP3 572 4.085 -1.482 -0.185 1.00 0.00 WT3 O ATOM 36752 H1 TIP3 572 8.230 28.090 15.370 1.00 0.00 WT3 H ATOM 36753 H2 TIP3 572 -2.509 -14.032 4.678 1.00 0.00 WT3 H ATOM 36754 OH2 TIP3 573 -4.057 -5.200 -2.106 1.00 0.00 WT3 O ATOM 36755 H1 TIP3 573 -9.473 10.359 -4.744 1.00 0.00 WT3 H ATOM 36756 H2 TIP3 573 -6.662 -8.483 -16.405 1.00 0.00 WT3 H ATOM 36757 OH2 TIP3 574 -2.937 -1.323 3.728 1.00 0.00 WT3 O ATOM 36758 H1 TIP3 574 6.624 -18.435 11.563 1.00 0.00 WT3 H ATOM 36759 H2 TIP3 574 -19.380 4.910 24.165 1.00 0.00 WT3 H ATOM 36760 OH2 TIP3 575 -8.896 0.793 -1.526 1.00 0.00 WT3 O ATOM 36761 H1 TIP3 575 -8.863 6.485 4.693 1.00 0.00 WT3 H ATOM 36762 H2 TIP3 575 -1.161 14.261 8.453 1.00 0.00 WT3 H ATOM 36763 OH2 TIP3 576 -3.194 8.497 3.723 1.00 0.00 WT3 O ATOM 36764 H1 TIP3 576 -20.985 14.581 7.328 1.00 0.00 WT3 H ATOM 36765 H2 TIP3 576 3.726 2.128 -0.054 1.00 0.00 WT3 H ATOM 36766 OH2 TIP3 577 1.305 -0.569 1.614 1.00 0.00 WT3 O ATOM 36767 H1 TIP3 577 -1.193 9.349 -3.133 1.00 0.00 WT3 H ATOM 36768 H2 TIP3 577 -15.032 16.346 1.746 1.00 0.00 WT3 H ATOM 36769 OH2 TIP3 578 -2.452 -0.924 -1.946 1.00 0.00 WT3 O ATOM 36770 H1 TIP3 578 13.617 -6.454 18.589 1.00 0.00 WT3 H ATOM 36771 H2 TIP3 578 12.068 -5.760 16.369 1.00 0.00 WT3 H ATOM 36772 OH2 TIP3 579 3.217 2.319 1.990 1.00 0.00 WT3 O ATOM 36773 H1 TIP3 579 -20.684 -12.990 3.777 1.00 0.00 WT3 H ATOM 36774 H2 TIP3 579 2.717 14.616 -6.158 1.00 0.00 WT3 H ATOM 36775 OH2 TIP3 580 -1.996 -0.688 1.822 1.00 0.00 WT3 O ATOM 36776 H1 TIP3 580 -17.075 1.814 11.800 1.00 0.00 WT3 H ATOM 36777 H2 TIP3 580 7.660 -16.542 5.887 1.00 0.00 WT3 H ATOM 36778 OH2 TIP3 581 5.404 -1.323 9.565 1.00 0.00 WT3 O ATOM 36779 H1 TIP3 581 9.735 11.205 14.396 1.00 0.00 WT3 H ATOM 36780 H2 TIP3 581 7.686 -8.514 -1.609 1.00 0.00 WT3 H ATOM 36781 OH2 TIP3 582 0.332 8.956 -1.443 1.00 0.00 WT3 O ATOM 36782 H1 TIP3 582 7.295 44.782 21.743 1.00 0.00 WT3 H ATOM 36783 H2 TIP3 582 0.335 7.867 -2.444 1.00 0.00 WT3 H ATOM 36784 OH2 TIP3 583 1.751 -4.644 0.320 1.00 0.00 WT3 O ATOM 36785 H1 TIP3 583 -6.585 -3.298 14.901 1.00 0.00 WT3 H ATOM 36786 H2 TIP3 583 -15.549 1.377 14.120 1.00 0.00 WT3 H ATOM 36787 OH2 TIP3 584 4.996 6.255 1.432 1.00 0.00 WT3 O ATOM 36788 H1 TIP3 584 5.692 -13.395 -9.942 1.00 0.00 WT3 H ATOM 36789 H2 TIP3 584 8.436 4.144 0.830 1.00 0.00 WT3 H ATOM 36790 OH2 TIP3 585 -1.183 4.700 8.002 1.00 0.00 WT3 O ATOM 36791 H1 TIP3 585 -18.887 0.843 12.013 1.00 0.00 WT3 H ATOM 36792 H2 TIP3 585 22.151 -7.053 13.843 1.00 0.00 WT3 H ATOM 36793 OH2 TIP3 586 2.941 -0.746 1.195 1.00 0.00 WT3 O ATOM 36794 H1 TIP3 586 8.947 0.012 0.920 1.00 0.00 WT3 H ATOM 36795 H2 TIP3 586 10.484 0.447 -3.276 1.00 0.00 WT3 H ATOM 36796 OH2 TIP3 587 -5.037 2.410 0.224 1.00 0.00 WT3 O ATOM 36797 H1 TIP3 587 -2.366 -15.843 -9.254 1.00 0.00 WT3 H ATOM 36798 H2 TIP3 587 -2.039 9.970 -25.847 1.00 0.00 WT3 H ATOM 36799 OH2 TIP3 590 1.916 -1.079 -3.513 1.00 0.00 WT3 O ATOM 36800 H1 TIP3 590 -3.953 -6.104 -2.938 1.00 0.00 WT3 H ATOM 36801 H2 TIP3 590 15.922 7.179 -5.907 1.00 0.00 WT3 H ATOM 36802 OH2 TIP3 591 4.318 -6.077 0.596 1.00 0.00 WT3 O ATOM 36803 H1 TIP3 591 1.129 -15.703 6.124 1.00 0.00 WT3 H ATOM 36804 H2 TIP3 591 -6.626 1.842 10.848 1.00 0.00 WT3 H ATOM 36805 OH2 TIP3 592 -2.652 2.995 0.933 1.00 0.00 WT3 O ATOM 36806 H1 TIP3 592 -26.223 -26.506 0.742 1.00 0.00 WT3 H ATOM 36807 H2 TIP3 592 10.565 16.153 -7.409 1.00 0.00 WT3 H ATOM 36808 OH2 TIP3 593 0.980 -7.809 -3.830 1.00 0.00 WT3 O ATOM 36809 H1 TIP3 593 1.472 -1.864 2.988 1.00 0.00 WT3 H ATOM 36810 H2 TIP3 593 16.942 -22.680 5.675 1.00 0.00 WT3 H ATOM 36811 OH2 TIP3 594 1.966 -2.776 -2.850 1.00 0.00 WT3 O ATOM 36812 H1 TIP3 594 13.966 1.167 -6.352 1.00 0.00 WT3 H ATOM 36813 H2 TIP3 594 8.576 -1.553 -4.599 1.00 0.00 WT3 H ATOM 36814 OH2 TIP3 595 1.102 -3.851 8.768 1.00 0.00 WT3 O ATOM 36815 H1 TIP3 595 1.823 -10.025 -3.023 1.00 0.00 WT3 H ATOM 36816 H2 TIP3 595 3.929 -23.245 21.823 1.00 0.00 WT3 H ATOM 36817 OH2 TIP3 597 -3.937 2.266 -2.975 1.00 0.00 WT3 O ATOM 36818 H1 TIP3 597 -39.759 -22.564 22.075 1.00 0.00 WT3 H ATOM 36819 H2 TIP3 597 -18.711 -9.288 5.804 1.00 0.00 WT3 H ATOM 36820 OH2 TIP3 598 -1.444 -2.879 -7.207 1.00 0.00 WT3 O ATOM 36821 H1 TIP3 598 -14.222 -15.045 -31.009 1.00 0.00 WT3 H ATOM 36822 H2 TIP3 598 -4.324 28.496 -3.309 1.00 0.00 WT3 H ATOM 36823 OH2 TIP3 599 1.913 -0.618 3.279 1.00 0.00 WT3 O ATOM 36824 H1 TIP3 599 -4.091 1.295 4.073 1.00 0.00 WT3 H ATOM 36825 H2 TIP3 599 -12.407 3.926 11.025 1.00 0.00 WT3 H ATOM 36826 OH2 TIP3 601 -2.054 3.545 0.454 1.00 0.00 WT3 O ATOM 36827 H1 TIP3 601 2.991 1.497 -2.518 1.00 0.00 WT3 H ATOM 36828 H2 TIP3 601 -17.591 12.160 7.528 1.00 0.00 WT3 H ATOM 36829 OH2 TIP3 602 -0.648 -5.310 3.444 1.00 0.00 WT3 O ATOM 36830 H1 TIP3 602 -25.282 -4.649 1.897 1.00 0.00 WT3 H ATOM 36831 H2 TIP3 602 -7.680 -1.000 0.390 1.00 0.00 WT3 H ATOM 36832 OH2 TIP3 603 -0.792 11.280 4.336 1.00 0.00 WT3 O ATOM 36833 H1 TIP3 603 -7.678 -2.034 -3.646 1.00 0.00 WT3 H ATOM 36834 H2 TIP3 603 -8.602 16.791 16.271 1.00 0.00 WT3 H ATOM 36835 OH2 TIP3 604 5.936 1.912 3.973 1.00 0.00 WT3 O ATOM 36836 H1 TIP3 604 -19.068 8.106 8.272 1.00 0.00 WT3 H ATOM 36837 H2 TIP3 604 -9.923 -2.964 -7.208 1.00 0.00 WT3 H ATOM 36838 OH2 TIP3 605 0.897 0.844 1.325 1.00 0.00 WT3 O ATOM 36839 H1 TIP3 605 9.736 7.089 -21.356 1.00 0.00 WT3 H ATOM 36840 H2 TIP3 605 -0.933 3.818 13.203 1.00 0.00 WT3 H ATOM 36841 OH2 TIP3 606 1.022 8.627 -0.778 1.00 0.00 WT3 O ATOM 36842 H1 TIP3 606 -13.282 10.780 -23.937 1.00 0.00 WT3 H ATOM 36843 H2 TIP3 606 7.289 9.379 5.159 1.00 0.00 WT3 H ATOM 36844 OH2 TIP3 607 5.336 -7.644 3.516 1.00 0.00 WT3 O ATOM 36845 H1 TIP3 607 -7.162 -10.141 13.572 1.00 0.00 WT3 H ATOM 36846 H2 TIP3 607 5.908 -6.813 5.056 1.00 0.00 WT3 H ATOM 36847 OH2 TIP3 609 -0.439 -5.896 -0.116 1.00 0.00 WT3 O ATOM 36848 H1 TIP3 609 -13.671 10.121 -0.527 1.00 0.00 WT3 H ATOM 36849 H2 TIP3 609 -13.603 11.847 3.405 1.00 0.00 WT3 H ATOM 36850 OH2 TIP3 612 1.909 -3.017 0.912 1.00 0.00 WT3 O ATOM 36851 H1 TIP3 612 -15.401 8.675 -4.111 1.00 0.00 WT3 H ATOM 36852 H2 TIP3 612 -1.300 4.168 27.505 1.00 0.00 WT3 H ATOM 36853 OH2 TIP3 613 -2.261 -0.749 -2.588 1.00 0.00 WT3 O ATOM 36854 H1 TIP3 613 1.320 -5.761 -0.923 1.00 0.00 WT3 H ATOM 36855 H2 TIP3 613 5.940 -7.189 1.760 1.00 0.00 WT3 H ATOM 36856 OH2 TIP3 615 -4.060 1.939 -1.887 1.00 0.00 WT3 O ATOM 36857 H1 TIP3 615 -16.399 2.901 21.647 1.00 0.00 WT3 H ATOM 36858 H2 TIP3 615 0.914 -6.909 -16.417 1.00 0.00 WT3 H ATOM 36859 OH2 TIP3 617 3.775 0.161 -1.735 1.00 0.00 WT3 O ATOM 36860 H1 TIP3 617 8.117 -11.912 19.482 1.00 0.00 WT3 H ATOM 36861 H2 TIP3 617 15.964 -17.546 0.526 1.00 0.00 WT3 H ATOM 36862 OH2 TIP3 618 3.629 3.540 5.276 1.00 0.00 WT3 O ATOM 36863 H1 TIP3 618 2.561 -2.179 1.218 1.00 0.00 WT3 H ATOM 36864 H2 TIP3 618 4.889 -0.701 -1.901 1.00 0.00 WT3 H ATOM 36865 OH2 TIP3 620 5.107 3.273 3.172 1.00 0.00 WT3 O ATOM 36866 H1 TIP3 620 13.597 2.134 2.471 1.00 0.00 WT3 H ATOM 36867 H2 TIP3 620 -8.507 -14.102 -6.232 1.00 0.00 WT3 H ATOM 36868 OH2 TIP3 621 -0.917 -4.103 -3.705 1.00 0.00 WT3 O ATOM 36869 H1 TIP3 621 -1.587 11.572 -6.320 1.00 0.00 WT3 H ATOM 36870 H2 TIP3 621 -1.469 -43.989 14.847 1.00 0.00 WT3 H ATOM 36871 OH2 TIP3 623 1.741 -4.602 -5.102 1.00 0.00 WT3 O ATOM 36872 H1 TIP3 623 9.679 0.053 -21.436 1.00 0.00 WT3 H ATOM 36873 H2 TIP3 623 9.330 -14.908 5.430 1.00 0.00 WT3 H ATOM 36874 OH2 TIP3 624 4.492 -0.588 -0.783 1.00 0.00 WT3 O ATOM 36875 H1 TIP3 624 2.636 16.713 30.477 1.00 0.00 WT3 H ATOM 36876 H2 TIP3 624 7.202 17.292 20.907 1.00 0.00 WT3 H ATOM 36877 OH2 TIP3 625 -3.276 4.707 3.882 1.00 0.00 WT3 O ATOM 36878 H1 TIP3 625 21.686 -7.413 15.181 1.00 0.00 WT3 H ATOM 36879 H2 TIP3 625 -20.596 12.928 -3.419 1.00 0.00 WT3 H ATOM 36880 OH2 TIP3 626 3.100 -3.425 8.856 1.00 0.00 WT3 O ATOM 36881 H1 TIP3 626 -0.960 6.233 9.619 1.00 0.00 WT3 H ATOM 36882 H2 TIP3 626 -1.909 -8.545 0.695 1.00 0.00 WT3 H ATOM 36883 OH2 TIP3 627 -4.972 0.994 -2.376 1.00 0.00 WT3 O ATOM 36884 H1 TIP3 627 16.355 -0.501 -6.945 1.00 0.00 WT3 H ATOM 36885 H2 TIP3 627 6.875 2.313 -10.651 1.00 0.00 WT3 H ATOM 36886 OH2 TIP3 628 0.597 -0.609 -0.264 1.00 0.00 WT3 O ATOM 36887 H1 TIP3 628 -6.753 -0.519 -6.087 1.00 0.00 WT3 H ATOM 36888 H2 TIP3 628 11.388 3.043 7.541 1.00 0.00 WT3 H ATOM 36889 OH2 TIP3 630 -3.518 4.666 4.259 1.00 0.00 WT3 O ATOM 36890 H1 TIP3 630 -13.995 3.887 -14.173 1.00 0.00 WT3 H ATOM 36891 H2 TIP3 630 12.927 4.605 -0.354 1.00 0.00 WT3 H ATOM 36892 OH2 TIP3 632 -1.230 -6.210 -0.106 1.00 0.00 WT3 O ATOM 36893 H1 TIP3 632 -6.990 -7.081 -6.068 1.00 0.00 WT3 H ATOM 36894 H2 TIP3 632 -13.168 -4.845 -12.879 1.00 0.00 WT3 H ATOM 36895 OH2 TIP3 634 3.006 3.899 -7.434 1.00 0.00 WT3 O ATOM 36896 H1 TIP3 634 -3.304 9.281 -9.879 1.00 0.00 WT3 H ATOM 36897 H2 TIP3 634 4.484 -1.320 -12.267 1.00 0.00 WT3 H ATOM 36898 OH2 TIP3 635 -0.071 -2.098 1.810 1.00 0.00 WT3 O ATOM 36899 H1 TIP3 635 0.348 -9.804 -7.736 1.00 0.00 WT3 H ATOM 36900 H2 TIP3 635 2.852 -4.068 8.194 1.00 0.00 WT3 H ATOM 36901 OH2 TIP3 638 0.303 8.862 9.089 1.00 0.00 WT3 O ATOM 36902 H1 TIP3 638 8.245 1.117 -8.148 1.00 0.00 WT3 H ATOM 36903 H2 TIP3 638 -0.449 -10.642 21.204 1.00 0.00 WT3 H ATOM 36904 OH2 TIP3 639 2.690 1.983 -1.580 1.00 0.00 WT3 O ATOM 36905 H1 TIP3 639 11.256 18.025 1.683 1.00 0.00 WT3 H ATOM 36906 H2 TIP3 639 9.564 10.877 -17.963 1.00 0.00 WT3 H ATOM 36907 OH2 TIP3 640 0.355 -1.273 7.852 1.00 0.00 WT3 O ATOM 36908 H1 TIP3 640 -27.960 -15.030 1.848 1.00 0.00 WT3 H ATOM 36909 H2 TIP3 640 10.435 -5.492 4.508 1.00 0.00 WT3 H ATOM 36910 OH2 TIP3 643 -1.415 1.016 0.801 1.00 0.00 WT3 O ATOM 36911 H1 TIP3 643 7.774 13.201 8.354 1.00 0.00 WT3 H ATOM 36912 H2 TIP3 643 18.167 -15.376 -6.718 1.00 0.00 WT3 H ATOM 36913 OH2 TIP3 644 -2.614 0.425 2.176 1.00 0.00 WT3 O ATOM 36914 H1 TIP3 644 4.501 17.141 -1.480 1.00 0.00 WT3 H ATOM 36915 H2 TIP3 644 -3.080 -17.298 2.385 1.00 0.00 WT3 H ATOM 36916 OH2 TIP3 647 -2.806 2.095 4.472 1.00 0.00 WT3 O ATOM 36917 H1 TIP3 647 13.848 4.819 2.686 1.00 0.00 WT3 H ATOM 36918 H2 TIP3 647 20.130 4.826 2.521 1.00 0.00 WT3 H ATOM 36919 OH2 TIP3 648 -3.943 -1.896 7.435 1.00 0.00 WT3 O ATOM 36920 H1 TIP3 648 6.802 10.227 4.548 1.00 0.00 WT3 H ATOM 36921 H2 TIP3 648 2.971 -13.232 -4.616 1.00 0.00 WT3 H ATOM 36922 OH2 TIP3 649 -6.007 -1.355 4.910 1.00 0.00 WT3 O ATOM 36923 H1 TIP3 649 -8.851 -0.774 6.443 1.00 0.00 WT3 H ATOM 36924 H2 TIP3 649 -5.946 -5.264 3.369 1.00 0.00 WT3 H ATOM 36925 OH2 TIP3 650 5.764 -0.096 1.034 1.00 0.00 WT3 O ATOM 36926 H1 TIP3 650 -26.971 10.005 -5.658 1.00 0.00 WT3 H ATOM 36927 H2 TIP3 650 -19.588 4.424 -0.885 1.00 0.00 WT3 H ATOM 36928 OH2 TIP3 651 -0.644 -9.517 -6.027 1.00 0.00 WT3 O ATOM 36929 H1 TIP3 651 -15.957 -12.183 -2.117 1.00 0.00 WT3 H ATOM 36930 H2 TIP3 651 -32.134 -21.017 -2.558 1.00 0.00 WT3 H ATOM 36931 OH2 TIP3 655 -3.866 1.353 -1.544 1.00 0.00 WT3 O ATOM 36932 H1 TIP3 655 -7.378 5.070 6.066 1.00 0.00 WT3 H ATOM 36933 H2 TIP3 655 -3.775 -9.753 0.239 1.00 0.00 WT3 H ATOM 36934 OH2 TIP3 656 1.390 1.933 4.871 1.00 0.00 WT3 O ATOM 36935 H1 TIP3 656 1.240 4.904 6.344 1.00 0.00 WT3 H ATOM 36936 H2 TIP3 656 2.752 2.122 2.030 1.00 0.00 WT3 H ATOM 36937 OH2 TIP3 659 -0.648 -2.585 -0.558 1.00 0.00 WT3 O ATOM 36938 H1 TIP3 659 17.146 -6.990 1.466 1.00 0.00 WT3 H ATOM 36939 H2 TIP3 659 -14.496 16.876 2.379 1.00 0.00 WT3 H ATOM 36940 OH2 TIP3 660 0.735 2.034 -8.144 1.00 0.00 WT3 O ATOM 36941 H1 TIP3 660 1.221 -1.087 -15.686 1.00 0.00 WT3 H ATOM 36942 H2 TIP3 660 0.304 5.668 -0.711 1.00 0.00 WT3 H ATOM 36943 OH2 TIP3 662 -3.814 -0.181 -8.334 1.00 0.00 WT3 O ATOM 36944 H1 TIP3 662 -3.745 -9.364 -10.099 1.00 0.00 WT3 H ATOM 36945 H2 TIP3 662 5.451 2.447 -8.179 1.00 0.00 WT3 H ATOM 36946 OH2 TIP3 664 -2.576 3.934 -6.855 1.00 0.00 WT3 O ATOM 36947 H1 TIP3 664 7.729 -15.810 6.483 1.00 0.00 WT3 H ATOM 36948 H2 TIP3 664 5.510 12.862 -4.343 1.00 0.00 WT3 H ATOM 36949 OH2 TIP3 666 -1.073 -3.234 2.667 1.00 0.00 WT3 O ATOM 36950 H1 TIP3 666 10.968 -18.610 -9.380 1.00 0.00 WT3 H ATOM 36951 H2 TIP3 666 1.769 -5.523 5.368 1.00 0.00 WT3 H ATOM 36952 OH2 TIP3 668 7.297 6.506 4.328 1.00 0.00 WT3 O ATOM 36953 H1 TIP3 668 -7.390 6.566 15.012 1.00 0.00 WT3 H ATOM 36954 H2 TIP3 668 18.733 -5.263 7.580 1.00 0.00 WT3 H ATOM 36955 OH2 TIP3 669 6.812 8.702 -3.667 1.00 0.00 WT3 O ATOM 36956 H1 TIP3 669 2.893 -15.011 5.822 1.00 0.00 WT3 H ATOM 36957 H2 TIP3 669 -5.228 24.989 14.279 1.00 0.00 WT3 H ATOM 36958 OH2 TIP3 670 -3.060 -2.938 -0.428 1.00 0.00 WT3 O ATOM 36959 H1 TIP3 670 -18.679 3.522 -16.357 1.00 0.00 WT3 H ATOM 36960 H2 TIP3 670 -7.317 -17.983 8.795 1.00 0.00 WT3 H ATOM 36961 OH2 TIP3 679 0.813 3.770 -1.916 1.00 0.00 WT3 O ATOM 36962 H1 TIP3 679 2.294 9.580 8.678 1.00 0.00 WT3 H ATOM 36963 H2 TIP3 679 2.507 -14.460 10.058 1.00 0.00 WT3 H ATOM 36964 OH2 TIP3 682 -3.877 1.081 2.896 1.00 0.00 WT3 O ATOM 36965 H1 TIP3 682 -18.586 -19.088 -28.684 1.00 0.00 WT3 H ATOM 36966 H2 TIP3 682 -6.657 3.991 2.100 1.00 0.00 WT3 H ATOM 36967 OH2 TIP3 695 -2.604 4.004 4.298 1.00 0.00 WT3 O ATOM 36968 H1 TIP3 695 9.190 -4.763 -5.193 1.00 0.00 WT3 H ATOM 36969 H2 TIP3 695 -0.306 -8.851 -5.435 1.00 0.00 WT3 H ATOM 36970 OH2 TIP3 697 5.643 -2.711 -1.709 1.00 0.00 WT3 O ATOM 36971 H1 TIP3 697 -6.119 3.872 31.545 1.00 0.00 WT3 H ATOM 36972 H2 TIP3 697 8.134 -12.422 9.880 1.00 0.00 WT3 H ATOM 36973 OH2 TIP3 711 1.667 -3.613 -5.370 1.00 0.00 WT3 O ATOM 36974 H1 TIP3 711 0.831 -6.868 -8.428 1.00 0.00 WT3 H ATOM 36975 H2 TIP3 711 1.113 -7.774 -9.372 1.00 0.00 WT3 H ATOM 36976 OH2 TIP3 713 5.669 1.922 -3.291 1.00 0.00 WT3 O ATOM 36977 H1 TIP3 713 8.850 8.799 0.175 1.00 0.00 WT3 H ATOM 36978 H2 TIP3 713 -1.676 3.421 -10.504 1.00 0.00 WT3 H ATOM 36979 OH2 TIP3 758 0.304 3.115 -4.032 1.00 0.00 WT3 O ATOM 36980 H1 TIP3 758 0.181 21.022 1.316 1.00 0.00 WT3 H ATOM 36981 H2 TIP3 758 -6.504 -1.457 15.046 1.00 0.00 WT3 H ATOM 36982 OH2 TIP3 805 1.311 6.251 6.923 1.00 0.00 WT3 O ATOM 36983 H1 TIP3 805 13.671 16.843 5.982 1.00 0.00 WT3 H ATOM 36984 H2 TIP3 805 7.449 14.413 4.221 1.00 0.00 WT3 H ATOM 36985 OH2 TIP3 821 -5.455 1.943 -4.382 1.00 0.00 WT3 O ATOM 36986 H1 TIP3 821 -2.666 3.809 -2.749 1.00 0.00 WT3 H ATOM 36987 H2 TIP3 821 -1.576 5.159 4.685 1.00 0.00 WT3 H ATOM 36988 OH2 TIP3 822 -6.490 3.706 -4.751 1.00 0.00 WT3 O ATOM 36989 H1 TIP3 822 -20.323 20.439 10.344 1.00 0.00 WT3 H ATOM 36990 H2 TIP3 822 -3.165 -12.103 -3.641 1.00 0.00 WT3 H ATOM 36991 OH2 TIP3 825 3.101 -2.889 -1.435 1.00 0.00 WT3 O ATOM 36992 H1 TIP3 825 -24.592 -1.069 -3.945 1.00 0.00 WT3 H ATOM 36993 H2 TIP3 825 1.386 18.424 13.342 1.00 0.00 WT3 H ATOM 36994 OH2 TIP3 835 3.155 3.995 -0.734 1.00 0.00 WT3 O ATOM 36995 H1 TIP3 835 0.771 -18.905 -10.698 1.00 0.00 WT3 H ATOM 36996 H2 TIP3 835 8.170 -0.252 -8.261 1.00 0.00 WT3 H ATOM 36997 OH2 TIP3 836 3.630 -2.556 -3.777 1.00 0.00 WT3 O ATOM 36998 H1 TIP3 836 -5.490 5.313 -18.855 1.00 0.00 WT3 H ATOM 36999 H2 TIP3 836 9.546 -8.329 7.632 1.00 0.00 WT3 H ATOM 37000 OH2 TIP3 848 -3.173 -5.881 -7.268 1.00 0.00 WT3 O ATOM 37001 H1 TIP3 848 -14.417 -45.343 0.513 1.00 0.00 WT3 H ATOM 37002 H2 TIP3 848 29.173 -1.688 -9.101 1.00 0.00 WT3 H ATOM 37003 OH2 TIP3 849 4.292 0.612 -1.456 1.00 0.00 WT3 O ATOM 37004 H1 TIP3 849 -15.966 -10.523 -16.574 1.00 0.00 WT3 H ATOM 37005 H2 TIP3 849 15.250 32.614 -16.077 1.00 0.00 WT3 H ATOM 37006 OH2 TIP3 852 -4.833 -1.273 1.456 1.00 0.00 WT3 O ATOM 37007 H1 TIP3 852 -2.802 -1.110 2.882 1.00 0.00 WT3 H ATOM 37008 H2 TIP3 852 -10.924 -2.311 -3.934 1.00 0.00 WT3 H ATOM 37009 OH2 TIP3 854 2.536 -1.870 -2.064 1.00 0.00 WT3 O ATOM 37010 H1 TIP3 854 18.263 -19.341 -10.368 1.00 0.00 WT3 H ATOM 37011 H2 TIP3 854 9.645 -10.917 -4.098 1.00 0.00 WT3 H ATOM 37012 OH2 TIP3 855 3.246 -2.916 1.579 1.00 0.00 WT3 O ATOM 37013 H1 TIP3 855 -5.247 -14.926 6.545 1.00 0.00 WT3 H ATOM 37014 H2 TIP3 855 18.494 -7.875 -2.254 1.00 0.00 WT3 H ATOM 37015 OH2 TIP3 858 7.560 1.416 2.486 1.00 0.00 WT3 O ATOM 37016 H1 TIP3 858 28.583 7.443 20.739 1.00 0.00 WT3 H ATOM 37017 H2 TIP3 858 -3.523 -9.291 -16.431 1.00 0.00 WT3 H ATOM 37018 OH2 TIP3 860 0.278 1.720 -5.325 1.00 0.00 WT3 O ATOM 37019 H1 TIP3 860 -17.422 -13.541 -1.378 1.00 0.00 WT3 H ATOM 37020 H2 TIP3 860 3.262 -24.036 7.282 1.00 0.00 WT3 H ATOM 37021 OH2 TIP3 866 -4.101 -0.650 -1.505 1.00 0.00 WT3 O ATOM 37022 H1 TIP3 866 -17.339 -38.144 13.064 1.00 0.00 WT3 H ATOM 37023 H2 TIP3 866 2.375 -0.725 6.430 1.00 0.00 WT3 H ATOM 37024 OH2 TIP3 867 10.129 3.675 7.202 1.00 0.00 WT3 O ATOM 37025 H1 TIP3 867 -5.980 31.758 -10.084 1.00 0.00 WT3 H ATOM 37026 H2 TIP3 867 11.129 5.313 5.094 1.00 0.00 WT3 H ATOM 37027 OH2 TIP3 879 0.226 1.730 1.059 1.00 0.00 WT3 O ATOM 37028 H1 TIP3 879 -4.457 6.491 4.649 1.00 0.00 WT3 H ATOM 37029 H2 TIP3 879 -26.329 1.266 -22.373 1.00 0.00 WT3 H ATOM 37030 OH2 TIP3 881 2.702 0.136 -2.378 1.00 0.00 WT3 O ATOM 37031 H1 TIP3 881 -6.300 -7.921 -8.813 1.00 0.00 WT3 H ATOM 37032 H2 TIP3 881 2.494 -28.928 -12.331 1.00 0.00 WT3 H ATOM 37033 OH2 TIP3 882 4.966 -1.920 -6.342 1.00 0.00 WT3 O ATOM 37034 H1 TIP3 882 10.611 7.000 4.509 1.00 0.00 WT3 H ATOM 37035 H2 TIP3 882 10.453 12.259 1.243 1.00 0.00 WT3 H ATOM 37036 OH2 TIP3 886 -2.535 -0.536 -0.373 1.00 0.00 WT3 O ATOM 37037 H1 TIP3 886 -4.389 -13.916 0.727 1.00 0.00 WT3 H ATOM 37038 H2 TIP3 886 -7.648 -18.891 -2.708 1.00 0.00 WT3 H ATOM 37039 OH2 TIP3 887 7.516 0.942 4.732 1.00 0.00 WT3 O ATOM 37040 H1 TIP3 887 8.710 -13.057 10.843 1.00 0.00 WT3 H ATOM 37041 H2 TIP3 887 -24.767 14.044 11.005 1.00 0.00 WT3 H ATOM 37042 OH2 TIP3 889 -1.618 -4.154 4.323 1.00 0.00 WT3 O ATOM 37043 H1 TIP3 889 0.734 -20.539 -3.596 1.00 0.00 WT3 H ATOM 37044 H2 TIP3 889 -17.334 -14.317 -9.679 1.00 0.00 WT3 H ATOM 37045 OH2 TIP3 890 -3.782 1.222 -0.888 1.00 0.00 WT3 O ATOM 37046 H1 TIP3 890 -6.099 -6.566 19.796 1.00 0.00 WT3 H ATOM 37047 H2 TIP3 890 5.841 -8.433 13.699 1.00 0.00 WT3 H ATOM 37048 OH2 TIP3 891 0.404 -5.593 2.810 1.00 0.00 WT3 O ATOM 37049 H1 TIP3 891 -4.943 -0.721 14.093 1.00 0.00 WT3 H ATOM 37050 H2 TIP3 891 11.707 -19.583 -6.822 1.00 0.00 WT3 H ATOM 37051 OH2 TIP3 894 0.854 -4.444 -0.846 1.00 0.00 WT3 O ATOM 37052 H1 TIP3 894 14.180 -6.157 -36.093 1.00 0.00 WT3 H ATOM 37053 H2 TIP3 894 -0.052 -2.847 5.378 1.00 0.00 WT3 H ATOM 37054 OH2 TIP3 895 0.901 5.619 -8.637 1.00 0.00 WT3 O ATOM 37055 H1 TIP3 895 -4.832 -0.645 19.379 1.00 0.00 WT3 H ATOM 37056 H2 TIP3 895 25.283 17.952 -12.968 1.00 0.00 WT3 H ATOM 37057 OH2 TIP3 896 -3.371 -5.020 -2.213 1.00 0.00 WT3 O ATOM 37058 H1 TIP3 896 27.751 14.188 -18.903 1.00 0.00 WT3 H ATOM 37059 H2 TIP3 896 6.723 -14.953 8.469 1.00 0.00 WT3 H ATOM 37060 OH2 TIP3 897 3.339 -4.500 -7.766 1.00 0.00 WT3 O ATOM 37061 H1 TIP3 897 15.963 5.227 -6.158 1.00 0.00 WT3 H ATOM 37062 H2 TIP3 897 3.913 12.397 3.548 1.00 0.00 WT3 H ATOM 37063 OH2 TIP3 899 -0.219 -0.150 8.354 1.00 0.00 WT3 O ATOM 37064 H1 TIP3 899 -10.811 2.158 3.436 1.00 0.00 WT3 H ATOM 37065 H2 TIP3 899 -13.116 -7.992 1.629 1.00 0.00 WT3 H ATOM 37066 OH2 TIP3 903 0.027 3.339 2.172 1.00 0.00 WT3 O ATOM 37067 H1 TIP3 903 -14.149 -3.437 -4.698 1.00 0.00 WT3 H ATOM 37068 H2 TIP3 903 10.479 5.444 6.026 1.00 0.00 WT3 H ATOM 37069 OH2 TIP3 906 1.771 -0.216 4.213 1.00 0.00 WT3 O ATOM 37070 H1 TIP3 906 9.921 -5.578 -26.825 1.00 0.00 WT3 H ATOM 37071 H2 TIP3 906 2.890 3.020 -3.913 1.00 0.00 WT3 H ATOM 37072 OH2 TIP3 907 1.216 0.415 -5.669 1.00 0.00 WT3 O ATOM 37073 H1 TIP3 907 0.077 2.656 -11.009 1.00 0.00 WT3 H ATOM 37074 H2 TIP3 907 -5.391 -7.880 12.412 1.00 0.00 WT3 H ATOM 37075 OH2 TIP3 908 0.452 -4.428 -1.043 1.00 0.00 WT3 O ATOM 37076 H1 TIP3 908 4.242 6.121 -21.401 1.00 0.00 WT3 H ATOM 37077 H2 TIP3 908 15.311 -11.232 12.695 1.00 0.00 WT3 H ATOM 37078 OH2 TIP3 911 -0.777 -2.396 4.223 1.00 0.00 WT3 O ATOM 37079 H1 TIP3 911 2.662 -7.195 -5.451 1.00 0.00 WT3 H ATOM 37080 H2 TIP3 911 6.202 -6.530 11.876 1.00 0.00 WT3 H ATOM 37081 OH2 TIP3 912 -3.066 0.735 6.753 1.00 0.00 WT3 O ATOM 37082 H1 TIP3 912 -5.388 6.110 6.197 1.00 0.00 WT3 H ATOM 37083 H2 TIP3 912 5.956 -18.050 11.085 1.00 0.00 WT3 H ATOM 37084 OH2 TIP3 916 -2.832 1.542 7.646 1.00 0.00 WT3 O ATOM 37085 H1 TIP3 916 -0.485 -4.578 10.879 1.00 0.00 WT3 H ATOM 37086 H2 TIP3 916 16.751 -1.524 -1.192 1.00 0.00 WT3 H ATOM 37087 OH2 TIP3 917 -3.653 -3.620 -0.401 1.00 0.00 WT3 O ATOM 37088 H1 TIP3 917 19.620 -20.291 16.291 1.00 0.00 WT3 H ATOM 37089 H2 TIP3 917 13.515 23.105 -13.104 1.00 0.00 WT3 H ATOM 37090 OH2 TIP3 918 0.043 -4.733 -2.514 1.00 0.00 WT3 O ATOM 37091 H1 TIP3 918 -16.039 -4.234 -3.688 1.00 0.00 WT3 H ATOM 37092 H2 TIP3 918 1.613 -4.169 -2.854 1.00 0.00 WT3 H ATOM 37093 OH2 TIP3 919 -3.696 -2.939 4.376 1.00 0.00 WT3 O ATOM 37094 H1 TIP3 919 -14.433 9.230 8.663 1.00 0.00 WT3 H ATOM 37095 H2 TIP3 919 7.190 -0.174 -0.141 1.00 0.00 WT3 H ATOM 37096 OH2 TIP3 921 -0.156 -10.011 -2.723 1.00 0.00 WT3 O ATOM 37097 H1 TIP3 921 -14.206 -7.903 -3.880 1.00 0.00 WT3 H ATOM 37098 H2 TIP3 921 4.208 -7.592 -29.527 1.00 0.00 WT3 H ATOM 37099 OH2 TIP3 924 -2.229 3.005 2.973 1.00 0.00 WT3 O ATOM 37100 H1 TIP3 924 -4.364 -56.673 4.720 1.00 0.00 WT3 H ATOM 37101 H2 TIP3 924 1.373 -6.382 2.580 1.00 0.00 WT3 H ATOM 37102 OH2 TIP3 927 -0.247 -9.138 0.515 1.00 0.00 WT3 O ATOM 37103 H1 TIP3 927 10.739 1.131 -18.419 1.00 0.00 WT3 H ATOM 37104 H2 TIP3 927 6.018 -4.649 -5.981 1.00 0.00 WT3 H ATOM 37105 OH2 TIP3 928 8.259 -7.331 0.380 1.00 0.00 WT3 O ATOM 37106 H1 TIP3 928 1.061 -5.375 -15.043 1.00 0.00 WT3 H ATOM 37107 H2 TIP3 928 -5.208 -9.718 11.463 1.00 0.00 WT3 H ATOM 37108 OH2 TIP3 929 1.192 10.054 -3.511 1.00 0.00 WT3 O ATOM 37109 H1 TIP3 929 -6.678 -1.726 -6.777 1.00 0.00 WT3 H ATOM 37110 H2 TIP3 929 2.790 11.573 -3.324 1.00 0.00 WT3 H ATOM 37111 OH2 TIP3 930 -3.521 -3.782 -3.633 1.00 0.00 WT3 O ATOM 37112 H1 TIP3 930 14.681 -13.249 3.253 1.00 0.00 WT3 H ATOM 37113 H2 TIP3 930 -3.394 -9.147 -8.862 1.00 0.00 WT3 H ATOM 37114 OH2 TIP3 932 3.137 -3.532 -0.550 1.00 0.00 WT3 O ATOM 37115 H1 TIP3 932 -1.823 22.554 9.775 1.00 0.00 WT3 H ATOM 37116 H2 TIP3 932 1.893 5.008 2.782 1.00 0.00 WT3 H ATOM 37117 OH2 TIP3 933 -4.925 -0.456 3.460 1.00 0.00 WT3 O ATOM 37118 H1 TIP3 933 27.292 -26.722 11.939 1.00 0.00 WT3 H ATOM 37119 H2 TIP3 933 -10.257 5.526 -11.154 1.00 0.00 WT3 H ATOM 37120 OH2 TIP3 936 4.811 1.651 -0.364 1.00 0.00 WT3 O ATOM 37121 H1 TIP3 936 6.219 -21.042 0.081 1.00 0.00 WT3 H ATOM 37122 H2 TIP3 936 7.907 8.734 21.743 1.00 0.00 WT3 H ATOM 37123 OH2 TIP3 937 1.861 -0.970 5.103 1.00 0.00 WT3 O ATOM 37124 H1 TIP3 937 7.145 -7.926 17.290 1.00 0.00 WT3 H ATOM 37125 H2 TIP3 937 6.893 14.171 5.498 1.00 0.00 WT3 H ATOM 37126 OH2 TIP3 938 0.853 -2.238 -0.086 1.00 0.00 WT3 O ATOM 37127 H1 TIP3 938 -8.650 -2.058 0.358 1.00 0.00 WT3 H ATOM 37128 H2 TIP3 938 6.433 2.706 4.185 1.00 0.00 WT3 H ATOM 37129 OH2 TIP3 939 2.143 0.600 3.176 1.00 0.00 WT3 O ATOM 37130 H1 TIP3 939 3.664 14.603 -8.223 1.00 0.00 WT3 H ATOM 37131 H2 TIP3 939 24.788 -19.285 11.775 1.00 0.00 WT3 H ATOM 37132 OH2 TIP3 940 -2.644 -2.783 -0.747 1.00 0.00 WT3 O ATOM 37133 H1 TIP3 940 18.729 6.294 -6.975 1.00 0.00 WT3 H ATOM 37134 H2 TIP3 940 7.225 -10.520 11.511 1.00 0.00 WT3 H ATOM 37135 OH2 TIP3 941 -0.523 -4.837 5.361 1.00 0.00 WT3 O ATOM 37136 H1 TIP3 941 -42.275 3.730 -23.169 1.00 0.00 WT3 H ATOM 37137 H2 TIP3 941 28.542 8.907 1.505 1.00 0.00 WT3 H ATOM 37138 OH2 TIP3 942 -1.718 1.457 -5.039 1.00 0.00 WT3 O ATOM 37139 H1 TIP3 942 -5.102 16.138 10.356 1.00 0.00 WT3 H ATOM 37140 H2 TIP3 942 -14.370 -3.644 1.955 1.00 0.00 WT3 H ATOM 37141 OH2 TIP3 944 1.830 -1.727 -3.721 1.00 0.00 WT3 O ATOM 37142 H1 TIP3 944 -12.665 -10.093 -6.710 1.00 0.00 WT3 H ATOM 37143 H2 TIP3 944 -20.608 -12.950 -14.699 1.00 0.00 WT3 H ATOM 37144 OH2 TIP3 946 -1.180 -2.012 0.724 1.00 0.00 WT3 O ATOM 37145 H1 TIP3 946 -0.327 13.265 -5.122 1.00 0.00 WT3 H ATOM 37146 H2 TIP3 946 -16.033 -23.035 -11.998 1.00 0.00 WT3 H ATOM 37147 OH2 TIP3 947 -2.060 -0.044 5.389 1.00 0.00 WT3 O ATOM 37148 H1 TIP3 947 -6.669 1.231 2.427 1.00 0.00 WT3 H ATOM 37149 H2 TIP3 947 3.472 -1.621 8.239 1.00 0.00 WT3 H ATOM 37150 OH2 TIP3 948 -1.155 -0.421 7.772 1.00 0.00 WT3 O ATOM 37151 H1 TIP3 948 -3.058 -16.189 9.480 1.00 0.00 WT3 H ATOM 37152 H2 TIP3 948 -12.984 22.878 16.642 1.00 0.00 WT3 H ATOM 37153 OH2 TIP3 949 1.554 5.311 3.415 1.00 0.00 WT3 O ATOM 37154 H1 TIP3 949 -14.980 8.443 -1.254 1.00 0.00 WT3 H ATOM 37155 H2 TIP3 949 -2.601 -44.962 -1.176 1.00 0.00 WT3 H ATOM 37156 OH2 TIP3 950 5.375 1.714 0.040 1.00 0.00 WT3 O ATOM 37157 H1 TIP3 950 6.537 8.292 -23.277 1.00 0.00 WT3 H ATOM 37158 H2 TIP3 950 12.246 9.793 7.418 1.00 0.00 WT3 H ATOM 37159 OH2 TIP3 951 -0.431 2.861 -3.289 1.00 0.00 WT3 O ATOM 37160 H1 TIP3 951 -0.846 -3.854 2.141 1.00 0.00 WT3 H ATOM 37161 H2 TIP3 951 5.170 -7.153 14.687 1.00 0.00 WT3 H ATOM 37162 OH2 TIP3 952 1.654 -1.350 -2.410 1.00 0.00 WT3 O ATOM 37163 H1 TIP3 952 -17.696 -2.414 9.314 1.00 0.00 WT3 H ATOM 37164 H2 TIP3 952 -10.817 -9.540 4.293 1.00 0.00 WT3 H ATOM 37165 OH2 TIP3 953 -3.435 -2.017 -2.558 1.00 0.00 WT3 O ATOM 37166 H1 TIP3 953 -3.475 2.028 11.213 1.00 0.00 WT3 H ATOM 37167 H2 TIP3 953 15.962 -4.314 -23.250 1.00 0.00 WT3 H ATOM 37168 OH2 TIP3 954 4.341 4.383 -0.925 1.00 0.00 WT3 O ATOM 37169 H1 TIP3 954 -6.246 -0.525 -17.075 1.00 0.00 WT3 H ATOM 37170 H2 TIP3 954 -10.991 -17.397 -6.216 1.00 0.00 WT3 H ATOM 37171 OH2 TIP3 956 3.275 6.029 -3.574 1.00 0.00 WT3 O ATOM 37172 H1 TIP3 956 -3.340 0.534 -1.351 1.00 0.00 WT3 H ATOM 37173 H2 TIP3 956 9.407 1.173 -6.975 1.00 0.00 WT3 H ATOM 37174 OH2 TIP3 957 -0.614 0.266 2.680 1.00 0.00 WT3 O ATOM 37175 H1 TIP3 957 -25.042 -7.541 13.213 1.00 0.00 WT3 H ATOM 37176 H2 TIP3 957 -3.726 -12.996 -29.376 1.00 0.00 WT3 H ATOM 37177 OH2 TIP3 958 -2.426 5.587 2.114 1.00 0.00 WT3 O ATOM 37178 H1 TIP3 958 -29.761 -5.017 6.795 1.00 0.00 WT3 H ATOM 37179 H2 TIP3 958 3.975 3.930 -5.784 1.00 0.00 WT3 H ATOM 37180 OH2 TIP3 959 7.612 -5.098 4.087 1.00 0.00 WT3 O ATOM 37181 H1 TIP3 959 37.427 2.835 -13.995 1.00 0.00 WT3 H ATOM 37182 H2 TIP3 959 1.198 -27.533 -25.564 1.00 0.00 WT3 H ATOM 37183 OH2 TIP3 960 3.898 5.408 -2.847 1.00 0.00 WT3 O ATOM 37184 H1 TIP3 960 9.586 -0.870 -26.130 1.00 0.00 WT3 H ATOM 37185 H2 TIP3 960 -20.489 -12.663 -26.496 1.00 0.00 WT3 H ATOM 37186 OH2 TIP3 961 -1.807 6.463 -0.752 1.00 0.00 WT3 O ATOM 37187 H1 TIP3 961 10.411 -32.399 12.408 1.00 0.00 WT3 H ATOM 37188 H2 TIP3 961 -10.615 -9.237 -1.478 1.00 0.00 WT3 H ATOM 37189 OH2 TIP3 962 -0.963 4.012 2.037 1.00 0.00 WT3 O ATOM 37190 H1 TIP3 962 -1.871 2.098 -5.799 1.00 0.00 WT3 H ATOM 37191 H2 TIP3 962 -6.133 10.017 3.484 1.00 0.00 WT3 H ATOM 37192 OH2 TIP3 963 -0.492 5.479 0.462 1.00 0.00 WT3 O ATOM 37193 H1 TIP3 963 2.871 12.374 -3.488 1.00 0.00 WT3 H ATOM 37194 H2 TIP3 963 -2.793 -0.172 3.972 1.00 0.00 WT3 H ATOM 37195 OH2 TIP3 964 0.291 -0.964 0.447 1.00 0.00 WT3 O ATOM 37196 H1 TIP3 964 5.659 18.502 -4.786 1.00 0.00 WT3 H ATOM 37197 H2 TIP3 964 -1.725 -5.922 23.943 1.00 0.00 WT3 H ATOM 37198 OH2 TIP3 965 -0.723 4.688 -9.943 1.00 0.00 WT3 O ATOM 37199 H1 TIP3 965 -10.086 0.800 -18.791 1.00 0.00 WT3 H ATOM 37200 H2 TIP3 965 -0.361 0.742 -8.494 1.00 0.00 WT3 H ATOM 37201 OH2 TIP3 966 2.000 -2.678 0.959 1.00 0.00 WT3 O ATOM 37202 H1 TIP3 966 7.059 -9.295 1.572 1.00 0.00 WT3 H ATOM 37203 H2 TIP3 966 -4.619 20.963 7.917 1.00 0.00 WT3 H ATOM 37204 OH2 TIP3 967 -6.608 5.279 -5.965 1.00 0.00 WT3 O ATOM 37205 H1 TIP3 967 -5.576 1.619 -6.991 1.00 0.00 WT3 H ATOM 37206 H2 TIP3 967 -5.950 3.108 -7.551 1.00 0.00 WT3 H ATOM 37207 OH2 TIP3 970 1.221 0.429 0.840 1.00 0.00 WT3 O ATOM 37208 H1 TIP3 970 10.765 13.924 4.779 1.00 0.00 WT3 H ATOM 37209 H2 TIP3 970 -5.787 1.794 -13.363 1.00 0.00 WT3 H ATOM 37210 OH2 TIP3 971 0.380 -0.992 1.916 1.00 0.00 WT3 O ATOM 37211 H1 TIP3 971 -13.891 6.113 -10.305 1.00 0.00 WT3 H ATOM 37212 H2 TIP3 971 7.105 4.199 -3.435 1.00 0.00 WT3 H ATOM 37213 OH2 TIP3 972 -1.135 -5.520 -0.342 1.00 0.00 WT3 O ATOM 37214 H1 TIP3 972 -7.106 25.597 -5.440 1.00 0.00 WT3 H ATOM 37215 H2 TIP3 972 22.320 -8.305 7.313 1.00 0.00 WT3 H ATOM 37216 OH2 TIP3 973 0.015 1.342 5.974 1.00 0.00 WT3 O ATOM 37217 H1 TIP3 973 -1.364 4.070 7.981 1.00 0.00 WT3 H ATOM 37218 H2 TIP3 973 9.360 -17.233 -9.096 1.00 0.00 WT3 H ATOM 37219 OH2 TIP3 974 0.036 -4.449 3.398 1.00 0.00 WT3 O ATOM 37220 H1 TIP3 974 -14.414 -22.838 -9.776 1.00 0.00 WT3 H ATOM 37221 H2 TIP3 974 13.427 15.460 14.280 1.00 0.00 WT3 H ATOM 37222 OH2 TIP3 975 -5.316 8.677 2.132 1.00 0.00 WT3 O ATOM 37223 H1 TIP3 975 -1.751 7.827 -7.560 1.00 0.00 WT3 H ATOM 37224 H2 TIP3 975 -15.711 15.882 3.020 1.00 0.00 WT3 H ATOM 37225 OH2 TIP3 976 -4.844 -0.249 2.848 1.00 0.00 WT3 O ATOM 37226 H1 TIP3 976 -9.584 -3.712 -2.731 1.00 0.00 WT3 H ATOM 37227 H2 TIP3 976 -5.623 5.122 6.231 1.00 0.00 WT3 H ATOM 37228 OH2 TIP3 977 -6.434 2.670 -4.396 1.00 0.00 WT3 O ATOM 37229 H1 TIP3 977 -7.797 -8.336 -11.051 1.00 0.00 WT3 H ATOM 37230 H2 TIP3 977 -2.548 12.905 1.095 1.00 0.00 WT3 H ATOM 37231 OH2 TIP3 978 -0.128 5.106 6.765 1.00 0.00 WT3 O ATOM 37232 H1 TIP3 978 -2.312 -4.112 9.972 1.00 0.00 WT3 H ATOM 37233 H2 TIP3 978 8.156 3.931 -0.685 1.00 0.00 WT3 H ATOM 37234 OH2 TIP3 979 1.956 1.144 -3.475 1.00 0.00 WT3 O ATOM 37235 H1 TIP3 979 -7.214 3.479 -12.208 1.00 0.00 WT3 H ATOM 37236 H2 TIP3 979 2.269 2.820 -3.646 1.00 0.00 WT3 H ATOM 37237 OH2 TIP3 980 -4.211 3.963 1.438 1.00 0.00 WT3 O ATOM 37238 H1 TIP3 980 -20.864 -10.423 17.414 1.00 0.00 WT3 H ATOM 37239 H2 TIP3 980 -17.385 10.965 2.308 1.00 0.00 WT3 H ATOM 37240 OH2 TIP3 982 0.603 2.547 -6.989 1.00 0.00 WT3 O ATOM 37241 H1 TIP3 982 1.722 -3.584 -3.826 1.00 0.00 WT3 H ATOM 37242 H2 TIP3 982 5.408 5.992 -3.599 1.00 0.00 WT3 H ATOM 37243 OH2 TIP3 983 -2.460 0.442 1.748 1.00 0.00 WT3 O ATOM 37244 H1 TIP3 983 2.528 9.820 4.461 1.00 0.00 WT3 H ATOM 37245 H2 TIP3 983 6.252 -6.235 1.984 1.00 0.00 WT3 H ATOM 37246 OH2 TIP3 984 -2.793 -5.331 0.877 1.00 0.00 WT3 O ATOM 37247 H1 TIP3 984 -1.701 2.621 -1.989 1.00 0.00 WT3 H ATOM 37248 H2 TIP3 984 2.946 -0.043 -1.469 1.00 0.00 WT3 H ATOM 37249 OH2 TIP3 985 2.814 -5.181 -0.882 1.00 0.00 WT3 O ATOM 37250 H1 TIP3 985 0.901 -16.106 -5.857 1.00 0.00 WT3 H ATOM 37251 H2 TIP3 985 9.692 -2.730 -5.336 1.00 0.00 WT3 H ATOM 37252 OH2 TIP3 986 2.189 -2.471 -0.005 1.00 0.00 WT3 O ATOM 37253 H1 TIP3 986 12.089 -4.200 -6.430 1.00 0.00 WT3 H ATOM 37254 H2 TIP3 986 -20.571 7.574 -6.917 1.00 0.00 WT3 H ATOM 37255 OH2 TIP3 988 7.140 -0.200 3.421 1.00 0.00 WT3 O ATOM 37256 H1 TIP3 988 2.979 -1.068 4.757 1.00 0.00 WT3 H ATOM 37257 H2 TIP3 988 -9.911 -1.241 -3.874 1.00 0.00 WT3 H ATOM 37258 OH2 TIP3 992 6.921 1.881 -0.084 1.00 0.00 WT3 O ATOM 37259 H1 TIP3 992 4.020 22.294 5.627 1.00 0.00 WT3 H ATOM 37260 H2 TIP3 992 -22.847 2.558 6.793 1.00 0.00 WT3 H ATOM 37261 OH2 TIP3 993 -3.774 -2.190 3.390 1.00 0.00 WT3 O ATOM 37262 H1 TIP3 993 -7.376 1.988 5.943 1.00 0.00 WT3 H ATOM 37263 H2 TIP3 993 -8.894 3.615 2.912 1.00 0.00 WT3 H ATOM 37264 OH2 TIP3 994 4.771 1.993 0.779 1.00 0.00 WT3 O ATOM 37265 H1 TIP3 994 21.869 0.833 -10.805 1.00 0.00 WT3 H ATOM 37266 H2 TIP3 994 7.541 -0.020 4.699 1.00 0.00 WT3 H ATOM 37267 OH2 TIP3 995 -7.885 2.685 2.286 1.00 0.00 WT3 O ATOM 37268 H1 TIP3 995 -12.173 0.519 20.908 1.00 0.00 WT3 H ATOM 37269 H2 TIP3 995 -7.736 -12.138 -4.265 1.00 0.00 WT3 H ATOM 37270 OH2 TIP3 996 -2.245 -1.536 -0.687 1.00 0.00 WT3 O ATOM 37271 H1 TIP3 996 3.694 2.325 -0.814 1.00 0.00 WT3 H ATOM 37272 H2 TIP3 996 -5.521 -5.027 -11.964 1.00 0.00 WT3 H ATOM 37273 OH2 TIP3 997 -4.461 3.830 -1.280 1.00 0.00 WT3 O ATOM 37274 H1 TIP3 997 -12.901 0.619 5.109 1.00 0.00 WT3 H ATOM 37275 H2 TIP3 997 -9.078 2.414 7.195 1.00 0.00 WT3 H ATOM 37276 OH2 TIP3 998 -2.263 8.083 7.132 1.00 0.00 WT3 O ATOM 37277 H1 TIP3 998 -12.524 -21.264 1.297 1.00 0.00 WT3 H ATOM 37278 H2 TIP3 998 7.401 14.701 -0.685 1.00 0.00 WT3 H ATOM 37279 OH2 TIP3 999 1.177 -2.578 -3.665 1.00 0.00 WT3 O ATOM 37280 H1 TIP3 999 27.867 -2.901 23.573 1.00 0.00 WT3 H ATOM 37281 H2 TIP3 999 -12.348 12.512 -12.975 1.00 0.00 WT3 H ATOM 37282 OH2 TIP3 1000 0.609 3.857 0.494 1.00 0.00 WT3 O ATOM 37283 H1 TIP3 1000 1.998 24.519 4.603 1.00 0.00 WT3 H ATOM 37284 H2 TIP3 1000 -5.770 9.331 -3.847 1.00 0.00 WT3 H ATOM 37285 OH2 TIP3 1001 -1.779 -5.120 -0.677 1.00 0.00 WT3 O ATOM 37286 H1 TIP3 1001 11.376 -5.465 -1.539 1.00 0.00 WT3 H ATOM 37287 H2 TIP3 1001 -3.235 -1.162 -4.640 1.00 0.00 WT3 H ATOM 37288 OH2 TIP3 1002 1.467 -5.209 0.660 1.00 0.00 WT3 O ATOM 37289 H1 TIP3 1002 11.509 7.339 -8.148 1.00 0.00 WT3 H ATOM 37290 H2 TIP3 1002 6.796 1.467 -6.587 1.00 0.00 WT3 H ATOM 37291 OH2 TIP3 1003 2.377 -2.028 -1.411 1.00 0.00 WT3 O ATOM 37292 H1 TIP3 1003 7.033 -1.191 -15.147 1.00 0.00 WT3 H ATOM 37293 H2 TIP3 1003 -1.410 8.898 12.308 1.00 0.00 WT3 H ATOM 37294 OH2 TIP3 1004 -1.945 3.553 -4.337 1.00 0.00 WT3 O ATOM 37295 H1 TIP3 1004 -19.493 -15.259 -1.651 1.00 0.00 WT3 H ATOM 37296 H2 TIP3 1004 -15.064 -9.761 5.789 1.00 0.00 WT3 H ATOM 37297 OH2 TIP3 1005 1.032 2.532 1.457 1.00 0.00 WT3 O ATOM 37298 H1 TIP3 1005 -7.343 4.064 -1.254 1.00 0.00 WT3 H ATOM 37299 H2 TIP3 1005 -9.179 -1.026 -2.202 1.00 0.00 WT3 H ATOM 37300 OH2 TIP3 1006 -3.801 1.803 0.650 1.00 0.00 WT3 O ATOM 37301 H1 TIP3 1006 -10.635 13.768 -9.181 1.00 0.00 WT3 H ATOM 37302 H2 TIP3 1006 -3.024 -2.641 3.076 1.00 0.00 WT3 H ATOM 37303 OH2 TIP3 1007 -0.978 -4.049 3.704 1.00 0.00 WT3 O ATOM 37304 H1 TIP3 1007 -3.430 -18.540 5.433 1.00 0.00 WT3 H ATOM 37305 H2 TIP3 1007 -5.535 8.586 17.804 1.00 0.00 WT3 H ATOM 37306 OH2 TIP3 1009 -7.524 1.791 -4.975 1.00 0.00 WT3 O ATOM 37307 H1 TIP3 1009 -4.385 2.600 16.470 1.00 0.00 WT3 H ATOM 37308 H2 TIP3 1009 5.080 5.853 7.039 1.00 0.00 WT3 H ATOM 37309 OH2 TIP3 1010 0.658 1.973 3.167 1.00 0.00 WT3 O ATOM 37310 H1 TIP3 1010 4.520 9.595 0.370 1.00 0.00 WT3 H ATOM 37311 H2 TIP3 1010 -16.012 21.212 13.308 1.00 0.00 WT3 H ATOM 37312 OH2 TIP3 1011 4.363 -3.296 -5.296 1.00 0.00 WT3 O ATOM 37313 H1 TIP3 1011 29.722 16.013 8.209 1.00 0.00 WT3 H ATOM 37314 H2 TIP3 1011 -19.552 -1.995 -4.976 1.00 0.00 WT3 H ATOM 37315 OH2 TIP3 1012 -5.594 0.901 -2.697 1.00 0.00 WT3 O ATOM 37316 H1 TIP3 1012 0.617 -25.633 14.508 1.00 0.00 WT3 H ATOM 37317 H2 TIP3 1012 -9.693 -8.555 -22.945 1.00 0.00 WT3 H ATOM 37318 OH2 TIP3 1013 -2.501 4.283 0.832 1.00 0.00 WT3 O ATOM 37319 H1 TIP3 1013 -0.890 7.868 -11.531 1.00 0.00 WT3 H ATOM 37320 H2 TIP3 1013 -13.756 38.077 16.237 1.00 0.00 WT3 H ATOM 37321 OH2 TIP3 1014 2.140 -0.543 -4.618 1.00 0.00 WT3 O ATOM 37322 H1 TIP3 1014 -7.807 8.072 -10.976 1.00 0.00 WT3 H ATOM 37323 H2 TIP3 1014 5.094 -5.616 17.060 1.00 0.00 WT3 H ATOM 37324 OH2 TIP3 1015 -3.280 7.482 2.499 1.00 0.00 WT3 O ATOM 37325 H1 TIP3 1015 -10.776 11.281 -10.974 1.00 0.00 WT3 H ATOM 37326 H2 TIP3 1015 4.207 -3.238 13.099 1.00 0.00 WT3 H ATOM 37327 OH2 TIP3 1017 5.696 -3.654 -1.208 1.00 0.00 WT3 O ATOM 37328 H1 TIP3 1017 8.087 -18.681 19.568 1.00 0.00 WT3 H ATOM 37329 H2 TIP3 1017 13.426 -0.858 -1.764 1.00 0.00 WT3 H ATOM 37330 OH2 TIP3 1018 -2.956 -3.344 -3.283 1.00 0.00 WT3 O ATOM 37331 H1 TIP3 1018 -0.217 9.731 -14.827 1.00 0.00 WT3 H ATOM 37332 H2 TIP3 1018 -13.795 1.402 -13.561 1.00 0.00 WT3 H ATOM 37333 OH2 TIP3 1020 3.721 -1.518 -1.274 1.00 0.00 WT3 O ATOM 37334 H1 TIP3 1020 8.248 1.447 -11.465 1.00 0.00 WT3 H ATOM 37335 H2 TIP3 1020 2.882 10.283 -1.235 1.00 0.00 WT3 H ATOM 37336 OH2 TIP3 1022 1.051 -6.736 3.072 1.00 0.00 WT3 O ATOM 37337 H1 TIP3 1022 -2.456 -2.546 -4.231 1.00 0.00 WT3 H ATOM 37338 H2 TIP3 1022 -9.347 9.880 -0.914 1.00 0.00 WT3 H ATOM 37339 OH2 TIP3 1023 2.463 2.366 1.434 1.00 0.00 WT3 O ATOM 37340 H1 TIP3 1023 4.915 6.986 -1.512 1.00 0.00 WT3 H ATOM 37341 H2 TIP3 1023 10.631 6.045 0.354 1.00 0.00 WT3 H ATOM 37342 OH2 TIP3 1025 1.822 -6.388 -1.776 1.00 0.00 WT3 O ATOM 37343 H1 TIP3 1025 21.613 -13.155 3.722 1.00 0.00 WT3 H ATOM 37344 H2 TIP3 1025 0.218 -5.771 -2.577 1.00 0.00 WT3 H ATOM 37345 OH2 TIP3 1026 -5.122 -3.688 0.742 1.00 0.00 WT3 O ATOM 37346 H1 TIP3 1026 12.023 0.736 -13.543 1.00 0.00 WT3 H ATOM 37347 H2 TIP3 1026 -1.760 -2.597 -7.400 1.00 0.00 WT3 H ATOM 37348 OH2 TIP3 1027 2.230 -0.589 2.897 1.00 0.00 WT3 O ATOM 37349 H1 TIP3 1027 14.916 -1.646 0.295 1.00 0.00 WT3 H ATOM 37350 H2 TIP3 1027 -8.589 -18.660 9.066 1.00 0.00 WT3 H ATOM 37351 OH2 TIP3 1028 1.111 -2.709 1.964 1.00 0.00 WT3 O ATOM 37352 H1 TIP3 1028 9.720 -4.871 4.000 1.00 0.00 WT3 H ATOM 37353 H2 TIP3 1028 -0.773 4.561 7.516 1.00 0.00 WT3 H ATOM 37354 OH2 TIP3 1029 8.495 2.990 1.363 1.00 0.00 WT3 O ATOM 37355 H1 TIP3 1029 -7.547 -8.305 6.213 1.00 0.00 WT3 H ATOM 37356 H2 TIP3 1029 9.743 1.926 6.706 1.00 0.00 WT3 H ATOM 37357 OH2 TIP3 1030 2.831 -3.137 3.867 1.00 0.00 WT3 O ATOM 37358 H1 TIP3 1030 12.303 -1.350 11.972 1.00 0.00 WT3 H ATOM 37359 H2 TIP3 1030 -11.175 -4.983 -11.861 1.00 0.00 WT3 H ATOM 37360 OH2 TIP3 1031 -4.225 -3.308 -0.562 1.00 0.00 WT3 O ATOM 37361 H1 TIP3 1031 -6.409 -5.913 -6.878 1.00 0.00 WT3 H ATOM 37362 H2 TIP3 1031 -7.077 -3.213 1.400 1.00 0.00 WT3 H ATOM 37363 OH2 TIP3 1032 2.016 -4.329 1.717 1.00 0.00 WT3 O ATOM 37364 H1 TIP3 1032 13.319 6.821 6.600 1.00 0.00 WT3 H ATOM 37365 H2 TIP3 1032 9.758 5.200 4.320 1.00 0.00 WT3 H ATOM 37366 OH2 TIP3 1033 1.626 -1.550 5.705 1.00 0.00 WT3 O ATOM 37367 H1 TIP3 1033 6.615 -1.936 13.529 1.00 0.00 WT3 H ATOM 37368 H2 TIP3 1033 5.386 -4.309 -17.724 1.00 0.00 WT3 H ATOM 37369 OH2 TIP3 1035 4.461 5.124 2.041 1.00 0.00 WT3 O ATOM 37370 H1 TIP3 1035 -2.613 2.462 32.945 1.00 0.00 WT3 H ATOM 37371 H2 TIP3 1035 10.129 -18.836 18.056 1.00 0.00 WT3 H ATOM 37372 OH2 TIP3 1036 1.404 -5.263 0.110 1.00 0.00 WT3 O ATOM 37373 H1 TIP3 1036 -7.223 -14.451 -11.365 1.00 0.00 WT3 H ATOM 37374 H2 TIP3 1036 -4.351 -2.764 -8.190 1.00 0.00 WT3 H ATOM 37375 OH2 TIP3 1040 5.560 -3.867 5.398 1.00 0.00 WT3 O ATOM 37376 H1 TIP3 1040 -18.807 -15.535 10.416 1.00 0.00 WT3 H ATOM 37377 H2 TIP3 1040 -2.216 -6.267 -2.292 1.00 0.00 WT3 H ATOM 37378 OH2 TIP3 1041 4.625 -2.060 -2.489 1.00 0.00 WT3 O ATOM 37379 H1 TIP3 1041 4.876 0.965 3.468 1.00 0.00 WT3 H ATOM 37380 H2 TIP3 1041 0.918 -3.994 -6.389 1.00 0.00 WT3 H ATOM 37381 OH2 TIP3 1042 4.586 -0.928 -3.374 1.00 0.00 WT3 O ATOM 37382 H1 TIP3 1042 16.046 -0.742 -13.084 1.00 0.00 WT3 H ATOM 37383 H2 TIP3 1042 3.539 17.929 3.156 1.00 0.00 WT3 H ATOM 37384 OH2 TIP3 1043 4.526 -0.004 7.461 1.00 0.00 WT3 O ATOM 37385 H1 TIP3 1043 5.796 -6.923 -1.338 1.00 0.00 WT3 H ATOM 37386 H2 TIP3 1043 12.609 -7.034 13.189 1.00 0.00 WT3 H ATOM 37387 OH2 TIP3 1044 2.426 0.445 -8.913 1.00 0.00 WT3 O ATOM 37388 H1 TIP3 1044 -2.147 17.946 -2.379 1.00 0.00 WT3 H ATOM 37389 H2 TIP3 1044 -7.801 4.131 -2.255 1.00 0.00 WT3 H ATOM 37390 OH2 TIP3 1045 -2.057 -0.207 -1.936 1.00 0.00 WT3 O ATOM 37391 H1 TIP3 1045 -3.320 1.142 3.088 1.00 0.00 WT3 H ATOM 37392 H2 TIP3 1045 -5.068 1.404 13.216 1.00 0.00 WT3 H ATOM 37393 OH2 TIP3 1046 1.090 -9.884 4.533 1.00 0.00 WT3 O ATOM 37394 H1 TIP3 1046 -6.280 -3.969 6.619 1.00 0.00 WT3 H ATOM 37395 H2 TIP3 1046 15.027 -9.753 12.593 1.00 0.00 WT3 H ATOM 37396 OH2 TIP3 1047 -3.916 -2.712 -0.069 1.00 0.00 WT3 O ATOM 37397 H1 TIP3 1047 9.750 21.435 -15.019 1.00 0.00 WT3 H ATOM 37398 H2 TIP3 1047 1.420 17.597 -24.397 1.00 0.00 WT3 H ATOM 37399 OH2 TIP3 1048 -4.481 4.032 -3.689 1.00 0.00 WT3 O ATOM 37400 H1 TIP3 1048 -31.132 4.809 -12.293 1.00 0.00 WT3 H ATOM 37401 H2 TIP3 1048 5.084 5.988 -2.514 1.00 0.00 WT3 H ATOM 37402 OH2 TIP3 1050 4.700 -1.179 -7.304 1.00 0.00 WT3 O ATOM 37403 H1 TIP3 1050 1.587 -3.939 -20.943 1.00 0.00 WT3 H ATOM 37404 H2 TIP3 1050 8.101 9.441 -7.973 1.00 0.00 WT3 H ATOM 37405 OH2 TIP3 1051 3.098 -5.624 2.354 1.00 0.00 WT3 O ATOM 37406 H1 TIP3 1051 -2.097 -11.041 2.889 1.00 0.00 WT3 H ATOM 37407 H2 TIP3 1051 -0.205 1.247 4.479 1.00 0.00 WT3 H ATOM 37408 OH2 TIP3 1052 2.267 5.667 -3.693 1.00 0.00 WT3 O ATOM 37409 H1 TIP3 1052 -12.599 -0.048 -27.592 1.00 0.00 WT3 H ATOM 37410 H2 TIP3 1052 -5.095 -6.794 22.987 1.00 0.00 WT3 H ATOM 37411 OH2 TIP3 1053 -3.620 -0.659 -1.818 1.00 0.00 WT3 O ATOM 37412 H1 TIP3 1053 -0.173 12.968 -4.921 1.00 0.00 WT3 H ATOM 37413 H2 TIP3 1053 5.507 -7.710 2.232 1.00 0.00 WT3 H ATOM 37414 OH2 TIP3 1054 2.594 4.086 0.046 1.00 0.00 WT3 O ATOM 37415 H1 TIP3 1054 32.544 -0.333 0.898 1.00 0.00 WT3 H ATOM 37416 H2 TIP3 1054 -26.788 -35.467 2.427 1.00 0.00 WT3 H ATOM 37417 OH2 TIP3 1055 -1.042 -0.823 -4.990 1.00 0.00 WT3 O ATOM 37418 H1 TIP3 1055 -27.835 -19.439 -0.996 1.00 0.00 WT3 H ATOM 37419 H2 TIP3 1055 -1.590 2.102 23.098 1.00 0.00 WT3 H ATOM 37420 OH2 TIP3 1058 -5.501 0.969 0.525 1.00 0.00 WT3 O ATOM 37421 H1 TIP3 1058 -11.616 -9.121 -1.043 1.00 0.00 WT3 H ATOM 37422 H2 TIP3 1058 -0.639 -4.597 -10.399 1.00 0.00 WT3 H ATOM 37423 OH2 TIP3 1059 4.179 -2.632 -2.963 1.00 0.00 WT3 O ATOM 37424 H1 TIP3 1059 9.383 -7.746 1.920 1.00 0.00 WT3 H ATOM 37425 H2 TIP3 1059 12.371 -5.702 1.377 1.00 0.00 WT3 H ATOM 37426 OH2 TIP3 1060 -2.450 -1.708 4.505 1.00 0.00 WT3 O ATOM 37427 H1 TIP3 1060 -2.354 3.559 12.080 1.00 0.00 WT3 H ATOM 37428 H2 TIP3 1060 9.331 3.692 0.723 1.00 0.00 WT3 H ATOM 37429 OH2 TIP3 1061 -5.475 -2.468 3.924 1.00 0.00 WT3 O ATOM 37430 H1 TIP3 1061 11.010 12.899 7.489 1.00 0.00 WT3 H ATOM 37431 H2 TIP3 1061 -3.723 -7.795 22.428 1.00 0.00 WT3 H ATOM 37432 OH2 TIP3 1062 -1.317 0.986 -0.770 1.00 0.00 WT3 O ATOM 37433 H1 TIP3 1062 0.608 -7.323 6.572 1.00 0.00 WT3 H ATOM 37434 H2 TIP3 1062 -13.196 6.180 6.566 1.00 0.00 WT3 H ATOM 37435 OH2 TIP3 1063 3.144 -0.110 0.165 1.00 0.00 WT3 O ATOM 37436 H1 TIP3 1063 -3.982 21.266 3.577 1.00 0.00 WT3 H ATOM 37437 H2 TIP3 1063 21.721 3.017 -3.895 1.00 0.00 WT3 H ATOM 37438 OH2 TIP3 1067 0.953 -5.367 -3.263 1.00 0.00 WT3 O ATOM 37439 H1 TIP3 1067 7.437 -5.753 4.575 1.00 0.00 WT3 H ATOM 37440 H2 TIP3 1067 10.789 -29.679 -9.338 1.00 0.00 WT3 H ATOM 37441 OH2 TIP3 1068 -2.129 5.204 0.636 1.00 0.00 WT3 O ATOM 37442 H1 TIP3 1068 -5.715 -1.794 -17.363 1.00 0.00 WT3 H ATOM 37443 H2 TIP3 1068 14.015 2.810 32.261 1.00 0.00 WT3 H ATOM 37444 OH2 TIP3 1069 -3.435 2.015 -1.905 1.00 0.00 WT3 O ATOM 37445 H1 TIP3 1069 -22.868 -3.295 14.401 1.00 0.00 WT3 H ATOM 37446 H2 TIP3 1069 -5.032 7.264 -11.503 1.00 0.00 WT3 H ATOM 37447 OH2 TIP3 1070 -0.528 0.405 -1.967 1.00 0.00 WT3 O ATOM 37448 H1 TIP3 1070 -8.489 -15.706 -18.893 1.00 0.00 WT3 H ATOM 37449 H2 TIP3 1070 1.204 3.662 1.438 1.00 0.00 WT3 H ATOM 37450 OH2 TIP3 1071 0.642 -0.745 -8.060 1.00 0.00 WT3 O ATOM 37451 H1 TIP3 1071 8.158 -10.316 -7.055 1.00 0.00 WT3 H ATOM 37452 H2 TIP3 1071 15.672 -5.792 -7.025 1.00 0.00 WT3 H ATOM 37453 OH2 TIP3 1074 4.405 -3.536 0.447 1.00 0.00 WT3 O ATOM 37454 H1 TIP3 1074 22.281 12.894 9.401 1.00 0.00 WT3 H ATOM 37455 H2 TIP3 1074 7.563 -2.646 -3.269 1.00 0.00 WT3 H ATOM 37456 OH2 TIP3 1076 -6.655 -1.653 -3.161 1.00 0.00 WT3 O ATOM 37457 H1 TIP3 1076 -26.936 18.004 2.877 1.00 0.00 WT3 H ATOM 37458 H2 TIP3 1076 -13.973 3.255 5.885 1.00 0.00 WT3 H ATOM 37459 OH2 TIP3 1079 -2.930 1.776 -5.862 1.00 0.00 WT3 O ATOM 37460 H1 TIP3 1079 -7.635 7.067 -2.459 1.00 0.00 WT3 H ATOM 37461 H2 TIP3 1079 19.183 -29.526 0.147 1.00 0.00 WT3 H ATOM 37462 OH2 TIP3 1080 3.509 -1.572 -4.380 1.00 0.00 WT3 O ATOM 37463 H1 TIP3 1080 20.595 -27.118 0.150 1.00 0.00 WT3 H ATOM 37464 H2 TIP3 1080 17.194 -21.017 -0.491 1.00 0.00 WT3 H ATOM 37465 OH2 TIP3 1082 -0.480 5.882 2.186 1.00 0.00 WT3 O ATOM 37466 H1 TIP3 1082 2.821 5.869 -0.883 1.00 0.00 WT3 H ATOM 37467 H2 TIP3 1082 3.974 10.913 5.069 1.00 0.00 WT3 H ATOM 37468 OH2 TIP3 1084 -6.316 4.956 -7.201 1.00 0.00 WT3 O ATOM 37469 H1 TIP3 1084 4.575 12.096 0.714 1.00 0.00 WT3 H ATOM 37470 H2 TIP3 1084 -27.749 -1.570 -0.987 1.00 0.00 WT3 H ATOM 37471 OH2 TIP3 1085 -0.026 -4.188 8.697 1.00 0.00 WT3 O ATOM 37472 H1 TIP3 1085 39.459 13.880 -5.010 1.00 0.00 WT3 H ATOM 37473 H2 TIP3 1085 0.365 7.211 -3.821 1.00 0.00 WT3 H ATOM 37474 OH2 TIP3 1086 4.298 1.052 2.830 1.00 0.00 WT3 O ATOM 37475 H1 TIP3 1086 18.612 -8.224 -15.316 1.00 0.00 WT3 H ATOM 37476 H2 TIP3 1086 -10.135 -15.643 -22.228 1.00 0.00 WT3 H ATOM 37477 OH2 TIP3 1087 0.700 -2.362 2.224 1.00 0.00 WT3 O ATOM 37478 H1 TIP3 1087 21.977 -12.215 12.241 1.00 0.00 WT3 H ATOM 37479 H2 TIP3 1087 2.124 6.491 2.403 1.00 0.00 WT3 H ATOM 37480 OH2 TIP3 1088 8.114 1.717 -0.339 1.00 0.00 WT3 O ATOM 37481 H1 TIP3 1088 -2.770 13.573 -10.893 1.00 0.00 WT3 H ATOM 37482 H2 TIP3 1088 6.540 1.964 12.862 1.00 0.00 WT3 H ATOM 37483 OH2 TIP3 1090 -0.644 -2.580 -2.552 1.00 0.00 WT3 O ATOM 37484 H1 TIP3 1090 5.170 -18.026 -15.860 1.00 0.00 WT3 H ATOM 37485 H2 TIP3 1090 6.008 -20.403 -17.049 1.00 0.00 WT3 H ATOM 37486 OH2 TIP3 1094 -4.802 -4.475 3.163 1.00 0.00 WT3 O ATOM 37487 H1 TIP3 1094 5.330 1.842 3.228 1.00 0.00 WT3 H ATOM 37488 H2 TIP3 1094 -21.350 -8.466 -5.502 1.00 0.00 WT3 H ATOM 37489 OH2 TIP3 1096 0.078 -4.421 -5.893 1.00 0.00 WT3 O ATOM 37490 H1 TIP3 1096 14.762 7.798 14.239 1.00 0.00 WT3 H ATOM 37491 H2 TIP3 1096 6.535 -11.087 15.928 1.00 0.00 WT3 H ATOM 37492 OH2 TIP3 1098 6.758 3.744 0.638 1.00 0.00 WT3 O ATOM 37493 H1 TIP3 1098 -19.976 10.250 0.220 1.00 0.00 WT3 H ATOM 37494 H2 TIP3 1098 -11.454 8.463 2.007 1.00 0.00 WT3 H ATOM 37495 OH2 TIP3 1100 0.446 0.260 2.187 1.00 0.00 WT3 O ATOM 37496 H1 TIP3 1100 0.842 -9.522 -5.262 1.00 0.00 WT3 H ATOM 37497 H2 TIP3 1100 -1.186 -6.148 11.976 1.00 0.00 WT3 H ATOM 37498 OH2 TIP3 1102 -1.862 -0.493 1.743 1.00 0.00 WT3 O ATOM 37499 H1 TIP3 1102 -3.397 0.899 13.031 1.00 0.00 WT3 H ATOM 37500 H2 TIP3 1102 -7.754 17.510 -2.664 1.00 0.00 WT3 H ATOM 37501 OH2 TIP3 1103 5.870 0.308 -0.490 1.00 0.00 WT3 O ATOM 37502 H1 TIP3 1103 22.634 -11.916 -1.758 1.00 0.00 WT3 H ATOM 37503 H2 TIP3 1103 -10.730 11.522 -4.829 1.00 0.00 WT3 H ATOM 37504 OH2 TIP3 1107 3.549 -0.717 4.877 1.00 0.00 WT3 O ATOM 37505 H1 TIP3 1107 -2.741 -26.238 -21.352 1.00 0.00 WT3 H ATOM 37506 H2 TIP3 1107 4.214 -8.361 8.187 1.00 0.00 WT3 H ATOM 37507 OH2 TIP3 1108 -7.306 -0.232 -0.279 1.00 0.00 WT3 O ATOM 37508 H1 TIP3 1108 1.983 -5.994 8.183 1.00 0.00 WT3 H ATOM 37509 H2 TIP3 1108 -10.581 -1.245 14.659 1.00 0.00 WT3 H ATOM 37510 OH2 TIP3 1112 4.871 -1.010 0.104 1.00 0.00 WT3 O ATOM 37511 H1 TIP3 1112 1.302 -17.948 -6.849 1.00 0.00 WT3 H ATOM 37512 H2 TIP3 1112 0.910 12.186 -0.448 1.00 0.00 WT3 H ATOM 37513 OH2 TIP3 1115 -0.203 7.102 -2.742 1.00 0.00 WT3 O ATOM 37514 H1 TIP3 1115 -8.160 -1.594 -12.722 1.00 0.00 WT3 H ATOM 37515 H2 TIP3 1115 12.182 -2.209 3.988 1.00 0.00 WT3 H ATOM 37516 OH2 TIP3 1117 -6.697 5.429 0.380 1.00 0.00 WT3 O ATOM 37517 H1 TIP3 1117 -3.586 -4.346 2.757 1.00 0.00 WT3 H ATOM 37518 H2 TIP3 1117 3.513 -21.935 10.181 1.00 0.00 WT3 H ATOM 37519 OH2 TIP3 1118 1.691 -2.968 0.054 1.00 0.00 WT3 O ATOM 37520 H1 TIP3 1118 -6.391 -9.157 11.841 1.00 0.00 WT3 H ATOM 37521 H2 TIP3 1118 18.624 -7.772 -22.657 1.00 0.00 WT3 H ATOM 37522 OH2 TIP3 1119 2.713 4.240 7.950 1.00 0.00 WT3 O ATOM 37523 H1 TIP3 1119 -1.820 -15.774 -1.875 1.00 0.00 WT3 H ATOM 37524 H2 TIP3 1119 -3.189 17.432 -6.399 1.00 0.00 WT3 H ATOM 37525 OH2 TIP3 1120 -1.089 3.964 0.697 1.00 0.00 WT3 O ATOM 37526 H1 TIP3 1120 14.596 -3.954 -4.669 1.00 0.00 WT3 H ATOM 37527 H2 TIP3 1120 0.082 8.811 -15.509 1.00 0.00 WT3 H ATOM 37528 OH2 TIP3 1122 2.103 -0.437 4.174 1.00 0.00 WT3 O ATOM 37529 H1 TIP3 1122 13.036 -5.170 7.914 1.00 0.00 WT3 H ATOM 37530 H2 TIP3 1122 -3.470 8.752 17.613 1.00 0.00 WT3 H ATOM 37531 OH2 TIP3 1124 7.431 5.428 0.556 1.00 0.00 WT3 O ATOM 37532 H1 TIP3 1124 9.594 5.021 6.206 1.00 0.00 WT3 H ATOM 37533 H2 TIP3 1124 7.960 18.255 9.930 1.00 0.00 WT3 H ATOM 37534 OH2 TIP3 1127 -1.090 7.647 -2.315 1.00 0.00 WT3 O ATOM 37535 H1 TIP3 1127 12.621 11.498 -7.881 1.00 0.00 WT3 H ATOM 37536 H2 TIP3 1127 -7.258 5.902 -0.020 1.00 0.00 WT3 H ATOM 37537 OH2 TIP3 1129 -2.082 7.240 -2.876 1.00 0.00 WT3 O ATOM 37538 H1 TIP3 1129 5.619 14.677 3.550 1.00 0.00 WT3 H ATOM 37539 H2 TIP3 1129 -12.989 9.196 1.682 1.00 0.00 WT3 H ATOM 37540 OH2 TIP3 1131 3.180 4.950 -3.213 1.00 0.00 WT3 O ATOM 37541 H1 TIP3 1131 -12.043 11.291 13.625 1.00 0.00 WT3 H ATOM 37542 H2 TIP3 1131 -7.086 3.956 16.605 1.00 0.00 WT3 H ATOM 37543 OH2 TIP3 1137 -3.052 0.437 -1.584 1.00 0.00 WT3 O ATOM 37544 H1 TIP3 1137 -6.316 -2.940 -6.080 1.00 0.00 WT3 H ATOM 37545 H2 TIP3 1137 2.911 4.168 0.717 1.00 0.00 WT3 H ATOM 37546 OH2 TIP3 1145 0.995 -0.146 -2.661 1.00 0.00 WT3 O ATOM 37547 H1 TIP3 1145 13.229 7.830 6.362 1.00 0.00 WT3 H ATOM 37548 H2 TIP3 1145 -15.123 -9.254 6.080 1.00 0.00 WT3 H ATOM 37549 OH2 TIP3 1147 -6.592 4.188 2.869 1.00 0.00 WT3 O ATOM 37550 H1 TIP3 1147 -6.959 4.478 -13.772 1.00 0.00 WT3 H ATOM 37551 H2 TIP3 1147 -7.038 4.322 4.643 1.00 0.00 WT3 H ATOM 37552 OH2 TIP3 1148 -0.546 4.548 -1.363 1.00 0.00 WT3 O ATOM 37553 H1 TIP3 1148 15.654 15.219 -21.342 1.00 0.00 WT3 H ATOM 37554 H2 TIP3 1148 15.135 4.498 21.696 1.00 0.00 WT3 H ATOM 37555 OH2 TIP3 1151 4.875 3.452 -3.599 1.00 0.00 WT3 O ATOM 37556 H1 TIP3 1151 -2.848 -1.831 -1.876 1.00 0.00 WT3 H ATOM 37557 H2 TIP3 1151 -2.980 3.468 3.790 1.00 0.00 WT3 H ATOM 37558 OH2 TIP3 1164 -3.415 -1.477 -5.883 1.00 0.00 WT3 O ATOM 37559 H1 TIP3 1164 4.196 7.446 -10.049 1.00 0.00 WT3 H ATOM 37560 H2 TIP3 1164 5.967 5.037 -15.494 1.00 0.00 WT3 H ATOM 37561 OH2 TIP3 1165 5.903 -3.382 -3.863 1.00 0.00 WT3 O ATOM 37562 H1 TIP3 1165 -7.531 21.080 4.704 1.00 0.00 WT3 H ATOM 37563 H2 TIP3 1165 -15.651 4.858 -12.230 1.00 0.00 WT3 H ATOM 37564 OH2 TIP3 1186 -2.831 -3.337 -1.398 1.00 0.00 WT3 O ATOM 37565 H1 TIP3 1186 -30.187 -4.110 3.155 1.00 0.00 WT3 H ATOM 37566 H2 TIP3 1186 -5.977 -3.197 -0.439 1.00 0.00 WT3 H ATOM 37567 OH2 TIP3 1190 0.885 -5.832 0.557 1.00 0.00 WT3 O ATOM 37568 H1 TIP3 1190 -1.283 -6.831 2.607 1.00 0.00 WT3 H ATOM 37569 H2 TIP3 1190 -19.636 -4.508 -26.728 1.00 0.00 WT3 H ATOM 37570 OH2 TIP3 1201 -2.107 3.686 -3.942 1.00 0.00 WT3 O ATOM 37571 H1 TIP3 1201 11.992 6.535 6.844 1.00 0.00 WT3 H ATOM 37572 H2 TIP3 1201 21.767 7.987 13.265 1.00 0.00 WT3 H ATOM 37573 OH2 TIP3 1253 1.434 -6.085 -5.975 1.00 0.00 WT3 O ATOM 37574 H1 TIP3 1253 -1.934 -3.177 -4.446 1.00 0.00 WT3 H ATOM 37575 H2 TIP3 1253 2.595 -4.901 7.586 1.00 0.00 WT3 H ATOM 37576 OH2 TIP3 1272 1.540 -0.328 1.158 1.00 0.00 WT3 O ATOM 37577 H1 TIP3 1272 -9.550 1.265 -1.282 1.00 0.00 WT3 H ATOM 37578 H2 TIP3 1272 -8.942 -9.644 -2.577 1.00 0.00 WT3 H ATOM 37579 OH2 TIP3 1274 -2.300 -1.815 0.307 1.00 0.00 WT3 O ATOM 37580 H1 TIP3 1274 5.544 1.038 -4.084 1.00 0.00 WT3 H ATOM 37581 H2 TIP3 1274 -6.592 -6.970 3.427 1.00 0.00 WT3 H ATOM 37582 OH2 TIP3 1297 3.255 3.397 3.825 1.00 0.00 WT3 O ATOM 37583 H1 TIP3 1297 -1.657 -6.276 1.446 1.00 0.00 WT3 H ATOM 37584 H2 TIP3 1297 12.908 2.817 5.565 1.00 0.00 WT3 H ATOM 37585 OH2 TIP3 1298 -1.567 -8.565 -6.223 1.00 0.00 WT3 O ATOM 37586 H1 TIP3 1298 7.756 0.620 13.972 1.00 0.00 WT3 H ATOM 37587 H2 TIP3 1298 -4.019 6.267 -16.077 1.00 0.00 WT3 H ATOM 37588 OH2 TIP3 1301 -1.701 1.459 0.727 1.00 0.00 WT3 O ATOM 37589 H1 TIP3 1301 19.499 -15.744 -9.033 1.00 0.00 WT3 H ATOM 37590 H2 TIP3 1301 3.468 12.009 3.799 1.00 0.00 WT3 H ATOM 37591 OH2 TIP3 1305 5.528 1.898 -5.140 1.00 0.00 WT3 O ATOM 37592 H1 TIP3 1305 13.275 18.217 5.624 1.00 0.00 WT3 H ATOM 37593 H2 TIP3 1305 11.271 -15.502 4.093 1.00 0.00 WT3 H ATOM 37594 OH2 TIP3 1307 -1.018 6.483 5.705 1.00 0.00 WT3 O ATOM 37595 H1 TIP3 1307 8.513 5.966 11.086 1.00 0.00 WT3 H ATOM 37596 H2 TIP3 1307 1.194 13.362 -6.056 1.00 0.00 WT3 H ATOM 37597 OH2 TIP3 1308 5.549 0.229 3.381 1.00 0.00 WT3 O ATOM 37598 H1 TIP3 1308 -22.165 -12.567 5.940 1.00 0.00 WT3 H ATOM 37599 H2 TIP3 1308 10.975 2.482 11.359 1.00 0.00 WT3 H ATOM 37600 OH2 TIP3 1311 -0.015 -1.384 5.779 1.00 0.00 WT3 O ATOM 37601 H1 TIP3 1311 1.876 0.688 27.944 1.00 0.00 WT3 H ATOM 37602 H2 TIP3 1311 16.204 -14.708 3.942 1.00 0.00 WT3 H ATOM 37603 OH2 TIP3 1313 6.408 4.446 -1.947 1.00 0.00 WT3 O ATOM 37604 H1 TIP3 1313 7.584 -9.137 17.274 1.00 0.00 WT3 H ATOM 37605 H2 TIP3 1313 8.393 3.680 8.169 1.00 0.00 WT3 H ATOM 37606 OH2 TIP3 1317 2.058 7.055 3.001 1.00 0.00 WT3 O ATOM 37607 H1 TIP3 1317 7.800 16.779 8.700 1.00 0.00 WT3 H ATOM 37608 H2 TIP3 1317 -12.442 5.802 4.025 1.00 0.00 WT3 H ATOM 37609 OH2 TIP3 1321 -4.542 0.437 -2.740 1.00 0.00 WT3 O ATOM 37610 H1 TIP3 1321 1.623 11.546 6.814 1.00 0.00 WT3 H ATOM 37611 H2 TIP3 1321 -6.126 -12.458 -24.568 1.00 0.00 WT3 H ATOM 37612 OH2 TIP3 1322 -3.342 2.539 5.120 1.00 0.00 WT3 O ATOM 37613 H1 TIP3 1322 7.120 28.299 -17.299 1.00 0.00 WT3 H ATOM 37614 H2 TIP3 1322 28.289 20.234 7.978 1.00 0.00 WT3 H ATOM 37615 OH2 TIP3 1326 -1.481 2.492 -6.452 1.00 0.00 WT3 O ATOM 37616 H1 TIP3 1326 4.392 12.330 -27.401 1.00 0.00 WT3 H ATOM 37617 H2 TIP3 1326 6.780 12.457 10.636 1.00 0.00 WT3 H ATOM 37618 OH2 TIP3 1327 4.479 1.816 -0.196 1.00 0.00 WT3 O ATOM 37619 H1 TIP3 1327 4.290 0.757 -1.573 1.00 0.00 WT3 H ATOM 37620 H2 TIP3 1327 -14.671 2.192 -9.809 1.00 0.00 WT3 H ATOM 37621 OH2 TIP3 1328 2.129 -1.951 3.248 1.00 0.00 WT3 O ATOM 37622 H1 TIP3 1328 20.805 -9.214 -2.191 1.00 0.00 WT3 H ATOM 37623 H2 TIP3 1328 13.285 -9.065 20.300 1.00 0.00 WT3 H ATOM 37624 OH2 TIP3 1329 4.984 1.880 4.212 1.00 0.00 WT3 O ATOM 37625 H1 TIP3 1329 10.289 2.716 1.448 1.00 0.00 WT3 H ATOM 37626 H2 TIP3 1329 -5.967 16.614 2.558 1.00 0.00 WT3 H ATOM 37627 OH2 TIP3 1330 4.898 -4.187 -5.067 1.00 0.00 WT3 O ATOM 37628 H1 TIP3 1330 -13.044 -24.562 -35.888 1.00 0.00 WT3 H ATOM 37629 H2 TIP3 1330 9.768 14.758 -14.432 1.00 0.00 WT3 H ATOM 37630 OH2 TIP3 1331 -1.528 6.606 -0.767 1.00 0.00 WT3 O ATOM 37631 H1 TIP3 1331 6.055 -3.836 5.699 1.00 0.00 WT3 H ATOM 37632 H2 TIP3 1331 0.335 -0.200 -13.220 1.00 0.00 WT3 H ATOM 37633 OH2 TIP3 1332 -2.686 -2.318 8.153 1.00 0.00 WT3 O ATOM 37634 H1 TIP3 1332 -0.307 -5.840 -2.815 1.00 0.00 WT3 H ATOM 37635 H2 TIP3 1332 -5.036 -4.965 11.306 1.00 0.00 WT3 H ATOM 37636 OH2 TIP3 1333 -0.525 2.877 -4.335 1.00 0.00 WT3 O ATOM 37637 H1 TIP3 1333 4.417 13.553 5.235 1.00 0.00 WT3 H ATOM 37638 H2 TIP3 1333 -5.693 7.599 -4.287 1.00 0.00 WT3 H ATOM 37639 OH2 TIP3 1337 3.246 1.698 8.833 1.00 0.00 WT3 O ATOM 37640 H1 TIP3 1337 4.110 -0.267 12.798 1.00 0.00 WT3 H ATOM 37641 H2 TIP3 1337 -22.892 15.237 -17.551 1.00 0.00 WT3 H ATOM 37642 OH2 TIP3 1339 -2.758 -3.662 2.908 1.00 0.00 WT3 O ATOM 37643 H1 TIP3 1339 34.725 -7.885 0.083 1.00 0.00 WT3 H ATOM 37644 H2 TIP3 1339 -34.975 -1.148 0.545 1.00 0.00 WT3 H ATOM 37645 OH2 TIP3 1340 1.392 -2.214 5.050 1.00 0.00 WT3 O ATOM 37646 H1 TIP3 1340 1.062 -17.784 -10.543 1.00 0.00 WT3 H ATOM 37647 H2 TIP3 1340 -11.953 27.928 22.780 1.00 0.00 WT3 H ATOM 37648 OH2 TIP3 1341 -6.744 -5.102 -6.921 1.00 0.00 WT3 O ATOM 37649 H1 TIP3 1341 -11.547 -21.848 -3.281 1.00 0.00 WT3 H ATOM 37650 H2 TIP3 1341 -9.565 7.733 3.042 1.00 0.00 WT3 H ATOM 37651 OH2 TIP3 1342 5.093 -0.021 -2.240 1.00 0.00 WT3 O ATOM 37652 H1 TIP3 1342 -3.307 -1.584 5.288 1.00 0.00 WT3 H ATOM 37653 H2 TIP3 1342 8.858 -14.282 -14.062 1.00 0.00 WT3 H ATOM 37654 OH2 TIP3 1343 -3.791 9.102 4.840 1.00 0.00 WT3 O ATOM 37655 H1 TIP3 1343 4.762 0.045 5.841 1.00 0.00 WT3 H ATOM 37656 H2 TIP3 1343 -4.443 21.412 7.388 1.00 0.00 WT3 H ATOM 37657 OH2 TIP3 1344 -5.824 -3.379 1.374 1.00 0.00 WT3 O ATOM 37658 H1 TIP3 1344 13.481 3.194 -2.078 1.00 0.00 WT3 H ATOM 37659 H2 TIP3 1344 15.900 -13.979 10.893 1.00 0.00 WT3 H ATOM 37660 OH2 TIP3 1346 -1.686 1.536 1.221 1.00 0.00 WT3 O ATOM 37661 H1 TIP3 1346 11.121 0.005 -8.057 1.00 0.00 WT3 H ATOM 37662 H2 TIP3 1346 17.028 -14.469 -1.255 1.00 0.00 WT3 H ATOM 37663 OH2 TIP3 1347 -0.142 -3.392 -2.638 1.00 0.00 WT3 O ATOM 37664 H1 TIP3 1347 -16.078 -12.765 3.379 1.00 0.00 WT3 H ATOM 37665 H2 TIP3 1347 -15.949 16.953 5.681 1.00 0.00 WT3 H ATOM 37666 OH2 TIP3 1348 1.713 6.537 1.046 1.00 0.00 WT3 O ATOM 37667 H1 TIP3 1348 7.566 -13.102 8.267 1.00 0.00 WT3 H ATOM 37668 H2 TIP3 1348 11.793 25.093 8.105 1.00 0.00 WT3 H ATOM 37669 OH2 TIP3 1349 -2.290 1.968 -0.633 1.00 0.00 WT3 O ATOM 37670 H1 TIP3 1349 18.307 17.219 17.551 1.00 0.00 WT3 H ATOM 37671 H2 TIP3 1349 13.959 0.566 -9.152 1.00 0.00 WT3 H ATOM 37672 OH2 TIP3 1351 0.700 2.306 -7.215 1.00 0.00 WT3 O ATOM 37673 H1 TIP3 1351 0.787 -13.135 -3.522 1.00 0.00 WT3 H ATOM 37674 H2 TIP3 1351 0.871 10.109 -13.183 1.00 0.00 WT3 H ATOM 37675 OH2 TIP3 1352 3.131 2.782 -0.145 1.00 0.00 WT3 O ATOM 37676 H1 TIP3 1352 -12.507 14.683 -9.492 1.00 0.00 WT3 H ATOM 37677 H2 TIP3 1352 -4.828 11.414 19.422 1.00 0.00 WT3 H ATOM 37678 OH2 TIP3 1354 0.339 0.972 1.667 1.00 0.00 WT3 O ATOM 37679 H1 TIP3 1354 -6.939 2.391 4.513 1.00 0.00 WT3 H ATOM 37680 H2 TIP3 1354 3.063 4.099 -8.457 1.00 0.00 WT3 H ATOM 37681 OH2 TIP3 1355 0.656 -2.479 -2.296 1.00 0.00 WT3 O ATOM 37682 H1 TIP3 1355 2.607 0.965 -12.081 1.00 0.00 WT3 H ATOM 37683 H2 TIP3 1355 -4.337 -5.615 -7.910 1.00 0.00 WT3 H ATOM 37684 OH2 TIP3 1356 -0.491 -6.170 -10.008 1.00 0.00 WT3 O ATOM 37685 H1 TIP3 1356 -3.726 -8.333 -21.086 1.00 0.00 WT3 H ATOM 37686 H2 TIP3 1356 -19.063 -2.791 -8.819 1.00 0.00 WT3 H ATOM 37687 OH2 TIP3 1357 -2.023 -0.748 -4.504 1.00 0.00 WT3 O ATOM 37688 H1 TIP3 1357 -2.206 -16.174 -5.533 1.00 0.00 WT3 H ATOM 37689 H2 TIP3 1357 11.987 3.636 -10.774 1.00 0.00 WT3 H ATOM 37690 OH2 TIP3 1359 3.002 1.206 1.519 1.00 0.00 WT3 O ATOM 37691 H1 TIP3 1359 11.840 -14.506 3.088 1.00 0.00 WT3 H ATOM 37692 H2 TIP3 1359 -2.285 -9.427 -11.615 1.00 0.00 WT3 H ATOM 37693 OH2 TIP3 1360 -4.498 -8.771 -9.076 1.00 0.00 WT3 O ATOM 37694 H1 TIP3 1360 8.364 9.252 0.559 1.00 0.00 WT3 H ATOM 37695 H2 TIP3 1360 -3.868 -30.224 4.145 1.00 0.00 WT3 H ATOM 37696 OH2 TIP3 1361 -3.691 6.643 -1.707 1.00 0.00 WT3 O ATOM 37697 H1 TIP3 1361 11.844 3.338 -19.261 1.00 0.00 WT3 H ATOM 37698 H2 TIP3 1361 9.147 9.062 -12.495 1.00 0.00 WT3 H ATOM 37699 OH2 TIP3 1362 3.445 1.128 -0.557 1.00 0.00 WT3 O ATOM 37700 H1 TIP3 1362 -1.714 11.830 28.553 1.00 0.00 WT3 H ATOM 37701 H2 TIP3 1362 -10.524 -27.150 -0.706 1.00 0.00 WT3 H ATOM 37702 OH2 TIP3 1363 4.221 6.431 -0.162 1.00 0.00 WT3 O ATOM 37703 H1 TIP3 1363 8.556 -2.045 5.218 1.00 0.00 WT3 H ATOM 37704 H2 TIP3 1363 -0.176 1.121 -1.678 1.00 0.00 WT3 H ATOM 37705 OH2 TIP3 1365 -3.409 -4.008 -2.449 1.00 0.00 WT3 O ATOM 37706 H1 TIP3 1365 -2.426 -7.673 -3.044 1.00 0.00 WT3 H ATOM 37707 H2 TIP3 1365 7.882 -23.547 3.331 1.00 0.00 WT3 H ATOM 37708 OH2 TIP3 1367 4.057 6.420 1.936 1.00 0.00 WT3 O ATOM 37709 H1 TIP3 1367 3.047 4.993 -4.352 1.00 0.00 WT3 H ATOM 37710 H2 TIP3 1367 14.649 -10.030 8.510 1.00 0.00 WT3 H ATOM 37711 OH2 TIP3 1368 3.981 0.737 3.554 1.00 0.00 WT3 O ATOM 37712 H1 TIP3 1368 -33.459 0.640 -14.515 1.00 0.00 WT3 H ATOM 37713 H2 TIP3 1368 -2.964 -2.435 8.605 1.00 0.00 WT3 H ATOM 37714 OH2 TIP3 1369 -0.595 4.869 -4.563 1.00 0.00 WT3 O ATOM 37715 H1 TIP3 1369 1.432 15.052 3.496 1.00 0.00 WT3 H ATOM 37716 H2 TIP3 1369 16.860 -3.815 -13.089 1.00 0.00 WT3 H ATOM 37717 OH2 TIP3 1370 -9.414 -4.420 8.369 1.00 0.00 WT3 O ATOM 37718 H1 TIP3 1370 1.059 9.325 -21.879 1.00 0.00 WT3 H ATOM 37719 H2 TIP3 1370 -9.490 -7.892 10.869 1.00 0.00 WT3 H ATOM 37720 OH2 TIP3 1371 1.712 0.384 -6.311 1.00 0.00 WT3 O ATOM 37721 H1 TIP3 1371 7.225 -7.668 -16.746 1.00 0.00 WT3 H ATOM 37722 H2 TIP3 1371 -5.116 5.802 -18.996 1.00 0.00 WT3 H ATOM 37723 OH2 TIP3 1372 -8.012 -2.965 -1.945 1.00 0.00 WT3 O ATOM 37724 H1 TIP3 1372 1.830 -2.345 4.167 1.00 0.00 WT3 H ATOM 37725 H2 TIP3 1372 -5.131 -5.621 -24.235 1.00 0.00 WT3 H ATOM 37726 OH2 TIP3 1374 -5.990 2.068 0.079 1.00 0.00 WT3 O ATOM 37727 H1 TIP3 1374 -17.552 2.754 -7.324 1.00 0.00 WT3 H ATOM 37728 H2 TIP3 1374 6.294 -13.327 -9.779 1.00 0.00 WT3 H ATOM 37729 OH2 TIP3 1375 0.116 6.200 1.524 1.00 0.00 WT3 O ATOM 37730 H1 TIP3 1375 -10.883 5.605 9.929 1.00 0.00 WT3 H ATOM 37731 H2 TIP3 1375 -5.490 0.466 0.092 1.00 0.00 WT3 H ATOM 37732 OH2 TIP3 1376 2.882 -4.211 -0.210 1.00 0.00 WT3 O ATOM 37733 H1 TIP3 1376 1.132 -6.999 -8.333 1.00 0.00 WT3 H ATOM 37734 H2 TIP3 1376 4.865 -7.789 13.021 1.00 0.00 WT3 H ATOM 37735 OH2 TIP3 1378 8.250 4.936 0.020 1.00 0.00 WT3 O ATOM 37736 H1 TIP3 1378 -4.035 -7.135 -10.487 1.00 0.00 WT3 H ATOM 37737 H2 TIP3 1378 19.421 22.542 7.034 1.00 0.00 WT3 H ATOM 37738 OH2 TIP3 1379 3.979 4.418 -3.571 1.00 0.00 WT3 O ATOM 37739 H1 TIP3 1379 4.071 -0.686 12.752 1.00 0.00 WT3 H ATOM 37740 H2 TIP3 1379 6.485 -6.371 -10.896 1.00 0.00 WT3 H ATOM 37741 OH2 TIP3 1380 1.953 1.576 4.122 1.00 0.00 WT3 O ATOM 37742 H1 TIP3 1380 7.917 26.268 6.132 1.00 0.00 WT3 H ATOM 37743 H2 TIP3 1380 -12.916 -19.889 2.579 1.00 0.00 WT3 H ATOM 37744 OH2 TIP3 1381 -2.959 -1.894 -0.216 1.00 0.00 WT3 O ATOM 37745 H1 TIP3 1381 -10.052 28.535 -16.228 1.00 0.00 WT3 H ATOM 37746 H2 TIP3 1381 8.719 -1.732 -7.052 1.00 0.00 WT3 H ATOM 37747 OH2 TIP3 1382 -6.168 5.069 1.451 1.00 0.00 WT3 O ATOM 37748 H1 TIP3 1382 -15.989 12.601 -5.046 1.00 0.00 WT3 H ATOM 37749 H2 TIP3 1382 12.290 -9.503 14.816 1.00 0.00 WT3 H ATOM 37750 OH2 TIP3 1383 0.284 3.242 -2.805 1.00 0.00 WT3 O ATOM 37751 H1 TIP3 1383 -3.022 -10.784 -17.335 1.00 0.00 WT3 H ATOM 37752 H2 TIP3 1383 21.581 -4.835 12.937 1.00 0.00 WT3 H ATOM 37753 OH2 TIP3 1387 2.294 -2.432 7.708 1.00 0.00 WT3 O ATOM 37754 H1 TIP3 1387 -14.907 12.287 12.528 1.00 0.00 WT3 H ATOM 37755 H2 TIP3 1387 5.623 2.132 2.812 1.00 0.00 WT3 H ATOM 37756 OH2 TIP3 1388 3.426 -1.406 -1.453 1.00 0.00 WT3 O ATOM 37757 H1 TIP3 1388 3.834 7.844 -19.169 1.00 0.00 WT3 H ATOM 37758 H2 TIP3 1388 9.895 12.941 -7.064 1.00 0.00 WT3 H ATOM 37759 OH2 TIP3 1389 0.541 0.805 -4.453 1.00 0.00 WT3 O ATOM 37760 H1 TIP3 1389 -9.490 17.284 7.782 1.00 0.00 WT3 H ATOM 37761 H2 TIP3 1389 -0.118 2.352 -5.930 1.00 0.00 WT3 H ATOM 37762 OH2 TIP3 1390 -7.090 1.591 1.183 1.00 0.00 WT3 O ATOM 37763 H1 TIP3 1390 -27.310 -15.504 -8.287 1.00 0.00 WT3 H ATOM 37764 H2 TIP3 1390 -0.707 34.512 -13.430 1.00 0.00 WT3 H ATOM 37765 OH2 TIP3 1392 1.857 -5.494 5.802 1.00 0.00 WT3 O ATOM 37766 H1 TIP3 1392 -17.866 1.455 14.725 1.00 0.00 WT3 H ATOM 37767 H2 TIP3 1392 5.494 -12.134 -16.439 1.00 0.00 WT3 H ATOM 37768 OH2 TIP3 1393 -3.722 2.226 -0.457 1.00 0.00 WT3 O ATOM 37769 H1 TIP3 1393 8.380 5.669 -4.758 1.00 0.00 WT3 H ATOM 37770 H2 TIP3 1393 -15.718 -2.593 -2.199 1.00 0.00 WT3 H ATOM 37771 OH2 TIP3 1394 3.098 3.082 -3.713 1.00 0.00 WT3 O ATOM 37772 H1 TIP3 1394 -1.265 7.269 -13.027 1.00 0.00 WT3 H ATOM 37773 H2 TIP3 1394 9.432 -4.402 5.192 1.00 0.00 WT3 H ATOM 37774 OH2 TIP3 1395 -6.984 -0.024 -5.207 1.00 0.00 WT3 O ATOM 37775 H1 TIP3 1395 10.629 -31.233 21.317 1.00 0.00 WT3 H ATOM 37776 H2 TIP3 1395 -5.268 -7.349 4.771 1.00 0.00 WT3 H ATOM 37777 OH2 TIP3 1396 3.109 -5.410 2.531 1.00 0.00 WT3 O ATOM 37778 H1 TIP3 1396 -8.495 4.886 -13.985 1.00 0.00 WT3 H ATOM 37779 H2 TIP3 1396 8.005 -6.269 5.744 1.00 0.00 WT3 H ATOM 37780 OH2 TIP3 1397 -0.237 -0.182 6.201 1.00 0.00 WT3 O ATOM 37781 H1 TIP3 1397 -0.517 7.261 -4.554 1.00 0.00 WT3 H ATOM 37782 H2 TIP3 1397 -1.264 -13.920 -2.323 1.00 0.00 WT3 H ATOM 37783 OH2 TIP3 1398 0.614 2.365 2.801 1.00 0.00 WT3 O ATOM 37784 H1 TIP3 1398 -1.086 6.940 8.395 1.00 0.00 WT3 H ATOM 37785 H2 TIP3 1398 -6.535 15.943 -2.997 1.00 0.00 WT3 H ATOM 37786 OH2 TIP3 1399 0.875 -3.091 3.155 1.00 0.00 WT3 O ATOM 37787 H1 TIP3 1399 13.455 -19.123 3.194 1.00 0.00 WT3 H ATOM 37788 H2 TIP3 1399 32.997 -9.038 -3.346 1.00 0.00 WT3 H ATOM 37789 OH2 TIP3 1400 0.369 5.957 -3.987 1.00 0.00 WT3 O ATOM 37790 H1 TIP3 1400 -9.166 -0.205 -8.384 1.00 0.00 WT3 H ATOM 37791 H2 TIP3 1400 -1.336 12.146 2.178 1.00 0.00 WT3 H ATOM 37792 OH2 TIP3 1401 5.300 1.832 -0.193 1.00 0.00 WT3 O ATOM 37793 H1 TIP3 1401 12.665 5.433 -14.612 1.00 0.00 WT3 H ATOM 37794 H2 TIP3 1401 8.577 -2.589 10.374 1.00 0.00 WT3 H ATOM 37795 OH2 TIP3 1402 5.288 -8.300 -4.487 1.00 0.00 WT3 O ATOM 37796 H1 TIP3 1402 -3.621 9.726 -5.815 1.00 0.00 WT3 H ATOM 37797 H2 TIP3 1402 4.100 -14.182 -4.345 1.00 0.00 WT3 H ATOM 37798 OH2 TIP3 1403 -1.148 -6.074 2.138 1.00 0.00 WT3 O ATOM 37799 H1 TIP3 1403 -12.816 -6.114 8.350 1.00 0.00 WT3 H ATOM 37800 H2 TIP3 1403 5.994 4.760 -14.616 1.00 0.00 WT3 H ATOM 37801 OH2 TIP3 1404 1.184 -1.781 -2.063 1.00 0.00 WT3 O ATOM 37802 H1 TIP3 1404 8.167 -23.039 0.125 1.00 0.00 WT3 H ATOM 37803 H2 TIP3 1404 -13.621 13.934 -4.752 1.00 0.00 WT3 H ATOM 37804 OH2 TIP3 1407 0.062 -3.999 -4.582 1.00 0.00 WT3 O ATOM 37805 H1 TIP3 1407 -7.389 5.679 -4.458 1.00 0.00 WT3 H ATOM 37806 H2 TIP3 1407 13.777 3.121 32.127 1.00 0.00 WT3 H ATOM 37807 OH2 TIP3 1408 1.052 4.183 12.750 1.00 0.00 WT3 O ATOM 37808 H1 TIP3 1408 1.603 37.749 -12.438 1.00 0.00 WT3 H ATOM 37809 H2 TIP3 1408 11.606 -13.453 27.431 1.00 0.00 WT3 H ATOM 37810 OH2 TIP3 1409 4.103 -3.547 -0.965 1.00 0.00 WT3 O ATOM 37811 H1 TIP3 1409 -7.809 -4.865 15.733 1.00 0.00 WT3 H ATOM 37812 H2 TIP3 1409 16.999 -20.755 -12.478 1.00 0.00 WT3 H ATOM 37813 OH2 TIP3 1411 -4.558 -3.864 0.869 1.00 0.00 WT3 O ATOM 37814 H1 TIP3 1411 1.996 0.109 9.520 1.00 0.00 WT3 H ATOM 37815 H2 TIP3 1411 17.309 -4.598 11.176 1.00 0.00 WT3 H ATOM 37816 OH2 TIP3 1412 -4.595 0.110 -0.036 1.00 0.00 WT3 O ATOM 37817 H1 TIP3 1412 -12.690 2.557 -9.061 1.00 0.00 WT3 H ATOM 37818 H2 TIP3 1412 -2.089 -1.477 3.885 1.00 0.00 WT3 H ATOM 37819 OH2 TIP3 1413 -7.073 3.399 -5.968 1.00 0.00 WT3 O ATOM 37820 H1 TIP3 1413 3.009 -6.916 4.978 1.00 0.00 WT3 H ATOM 37821 H2 TIP3 1413 12.760 1.345 -2.013 1.00 0.00 WT3 H ATOM 37822 OH2 TIP3 1414 4.038 -7.382 7.414 1.00 0.00 WT3 O ATOM 37823 H1 TIP3 1414 8.169 -4.757 7.128 1.00 0.00 WT3 H ATOM 37824 H2 TIP3 1414 14.740 -3.273 7.454 1.00 0.00 WT3 H ATOM 37825 OH2 TIP3 1415 -0.166 0.787 3.992 1.00 0.00 WT3 O ATOM 37826 H1 TIP3 1415 0.520 1.765 5.005 1.00 0.00 WT3 H ATOM 37827 H2 TIP3 1415 4.723 -3.222 -1.838 1.00 0.00 WT3 H ATOM 37828 OH2 TIP3 1416 -3.948 4.403 8.446 1.00 0.00 WT3 O ATOM 37829 H1 TIP3 1416 -6.230 -4.815 -7.672 1.00 0.00 WT3 H ATOM 37830 H2 TIP3 1416 -5.184 -6.957 -2.321 1.00 0.00 WT3 H ATOM 37831 OH2 TIP3 1417 2.541 -1.805 1.562 1.00 0.00 WT3 O ATOM 37832 H1 TIP3 1417 10.285 10.668 16.300 1.00 0.00 WT3 H ATOM 37833 H2 TIP3 1417 14.399 -7.567 -4.254 1.00 0.00 WT3 H ATOM 37834 OH2 TIP3 1418 1.315 0.797 3.524 1.00 0.00 WT3 O ATOM 37835 H1 TIP3 1418 -2.603 -0.625 4.420 1.00 0.00 WT3 H ATOM 37836 H2 TIP3 1418 -1.887 -1.607 4.797 1.00 0.00 WT3 H ATOM 37837 OH2 TIP3 1419 1.067 -2.552 -1.757 1.00 0.00 WT3 O ATOM 37838 H1 TIP3 1419 -29.994 10.958 -21.912 1.00 0.00 WT3 H ATOM 37839 H2 TIP3 1419 -7.186 -3.989 -11.506 1.00 0.00 WT3 H ATOM 37840 OH2 TIP3 1420 1.445 2.651 10.381 1.00 0.00 WT3 O ATOM 37841 H1 TIP3 1420 -10.221 -9.080 -4.749 1.00 0.00 WT3 H ATOM 37842 H2 TIP3 1420 -18.192 -13.450 -0.440 1.00 0.00 WT3 H ATOM 37843 OH2 TIP3 1421 -0.937 3.555 0.709 1.00 0.00 WT3 O ATOM 37844 H1 TIP3 1421 -8.683 2.050 -3.078 1.00 0.00 WT3 H ATOM 37845 H2 TIP3 1421 8.499 8.971 -4.825 1.00 0.00 WT3 H ATOM 37846 OH2 TIP3 1422 0.577 1.837 -4.113 1.00 0.00 WT3 O ATOM 37847 H1 TIP3 1422 15.994 -4.349 5.220 1.00 0.00 WT3 H ATOM 37848 H2 TIP3 1422 2.660 -4.322 -21.476 1.00 0.00 WT3 H ATOM 37849 OH2 TIP3 1423 -1.756 2.695 5.105 1.00 0.00 WT3 O ATOM 37850 H1 TIP3 1423 5.271 -5.521 -19.724 1.00 0.00 WT3 H ATOM 37851 H2 TIP3 1423 -2.757 -17.020 6.859 1.00 0.00 WT3 H ATOM 37852 OH2 TIP3 1424 2.856 1.230 -1.813 1.00 0.00 WT3 O ATOM 37853 H1 TIP3 1424 -6.914 2.462 -6.213 1.00 0.00 WT3 H ATOM 37854 H2 TIP3 1424 8.326 8.953 -6.007 1.00 0.00 WT3 H ATOM 37855 OH2 TIP3 1426 0.395 -0.457 -1.439 1.00 0.00 WT3 O ATOM 37856 H1 TIP3 1426 -6.423 7.361 -15.515 1.00 0.00 WT3 H ATOM 37857 H2 TIP3 1426 2.973 0.673 -9.339 1.00 0.00 WT3 H ATOM 37858 OH2 TIP3 1428 0.361 0.816 2.693 1.00 0.00 WT3 O ATOM 37859 H1 TIP3 1428 4.557 1.613 10.755 1.00 0.00 WT3 H ATOM 37860 H2 TIP3 1428 -3.675 -8.255 6.086 1.00 0.00 WT3 H ATOM 37861 OH2 TIP3 1429 0.722 2.864 -5.109 1.00 0.00 WT3 O ATOM 37862 H1 TIP3 1429 1.978 0.518 -8.302 1.00 0.00 WT3 H ATOM 37863 H2 TIP3 1429 0.618 6.179 -2.094 1.00 0.00 WT3 H ATOM 37864 OH2 TIP3 1430 0.723 4.025 1.367 1.00 0.00 WT3 O ATOM 37865 H1 TIP3 1430 11.112 12.119 1.013 1.00 0.00 WT3 H ATOM 37866 H2 TIP3 1430 -7.710 -4.358 4.731 1.00 0.00 WT3 H ATOM 37867 OH2 TIP3 1431 -7.304 1.656 -6.656 1.00 0.00 WT3 O ATOM 37868 H1 TIP3 1431 -4.069 1.145 -8.699 1.00 0.00 WT3 H ATOM 37869 H2 TIP3 1431 -13.179 2.482 -3.020 1.00 0.00 WT3 H ATOM 37870 OH2 TIP3 1433 -7.632 2.455 -3.764 1.00 0.00 WT3 O ATOM 37871 H1 TIP3 1433 -6.015 -1.416 -24.593 1.00 0.00 WT3 H ATOM 37872 H2 TIP3 1433 -19.930 8.352 -1.872 1.00 0.00 WT3 H ATOM 37873 OH2 TIP3 1434 -5.503 1.636 -1.366 1.00 0.00 WT3 O ATOM 37874 H1 TIP3 1434 13.414 -5.148 -17.993 1.00 0.00 WT3 H ATOM 37875 H2 TIP3 1434 -6.789 22.251 2.373 1.00 0.00 WT3 H ATOM 37876 OH2 TIP3 1435 -2.943 0.856 2.045 1.00 0.00 WT3 O ATOM 37877 H1 TIP3 1435 -1.619 -7.694 -4.498 1.00 0.00 WT3 H ATOM 37878 H2 TIP3 1435 8.342 5.949 2.312 1.00 0.00 WT3 H ATOM 37879 OH2 TIP3 1436 -2.559 2.045 6.718 1.00 0.00 WT3 O ATOM 37880 H1 TIP3 1436 0.526 21.673 -1.174 1.00 0.00 WT3 H ATOM 37881 H2 TIP3 1436 -18.318 -4.920 -7.363 1.00 0.00 WT3 H ATOM 37882 OH2 TIP3 1437 -2.118 5.604 -3.289 1.00 0.00 WT3 O ATOM 37883 H1 TIP3 1437 4.711 -11.813 -18.791 1.00 0.00 WT3 H ATOM 37884 H2 TIP3 1437 0.879 7.113 18.273 1.00 0.00 WT3 H ATOM 37885 OH2 TIP3 1438 0.251 7.103 11.167 1.00 0.00 WT3 O ATOM 37886 H1 TIP3 1438 -19.956 -1.506 7.915 1.00 0.00 WT3 H ATOM 37887 H2 TIP3 1438 1.659 19.193 18.442 1.00 0.00 WT3 H ATOM 37888 OH2 TIP3 1439 2.222 -0.711 -0.269 1.00 0.00 WT3 O ATOM 37889 H1 TIP3 1439 11.805 0.610 -7.231 1.00 0.00 WT3 H ATOM 37890 H2 TIP3 1439 0.445 -17.394 3.970 1.00 0.00 WT3 H ATOM 37891 OH2 TIP3 1440 0.577 1.629 -1.891 1.00 0.00 WT3 O ATOM 37892 H1 TIP3 1440 19.774 17.394 -16.514 1.00 0.00 WT3 H ATOM 37893 H2 TIP3 1440 -1.531 -10.510 6.453 1.00 0.00 WT3 H ATOM 37894 OH2 TIP3 1441 3.315 9.756 1.128 1.00 0.00 WT3 O ATOM 37895 H1 TIP3 1441 4.078 -7.386 -0.982 1.00 0.00 WT3 H ATOM 37896 H2 TIP3 1441 -7.112 8.032 -10.625 1.00 0.00 WT3 H ATOM 37897 OH2 TIP3 1442 -1.507 -2.389 7.542 1.00 0.00 WT3 O ATOM 37898 H1 TIP3 1442 -5.558 -12.488 9.023 1.00 0.00 WT3 H ATOM 37899 H2 TIP3 1442 15.935 -4.329 7.628 1.00 0.00 WT3 H ATOM 37900 OH2 TIP3 1444 1.768 -5.222 6.657 1.00 0.00 WT3 O ATOM 37901 H1 TIP3 1444 -0.264 3.340 7.506 1.00 0.00 WT3 H ATOM 37902 H2 TIP3 1444 4.555 -8.614 -1.718 1.00 0.00 WT3 H ATOM 37903 OH2 TIP3 1445 0.300 5.811 -0.087 1.00 0.00 WT3 O ATOM 37904 H1 TIP3 1445 5.848 3.945 0.131 1.00 0.00 WT3 H ATOM 37905 H2 TIP3 1445 -10.055 -2.343 18.143 1.00 0.00 WT3 H ATOM 37906 OH2 TIP3 1446 4.557 -0.548 -3.871 1.00 0.00 WT3 O ATOM 37907 H1 TIP3 1446 -5.573 2.221 -3.683 1.00 0.00 WT3 H ATOM 37908 H2 TIP3 1446 -12.300 -0.180 1.084 1.00 0.00 WT3 H ATOM 37909 OH2 TIP3 1448 -0.236 4.375 -3.515 1.00 0.00 WT3 O ATOM 37910 H1 TIP3 1448 0.142 21.240 15.616 1.00 0.00 WT3 H ATOM 37911 H2 TIP3 1448 18.341 20.826 13.749 1.00 0.00 WT3 H ATOM 37912 OH2 TIP3 1449 -4.824 2.694 -1.141 1.00 0.00 WT3 O ATOM 37913 H1 TIP3 1449 1.817 2.956 2.736 1.00 0.00 WT3 H ATOM 37914 H2 TIP3 1449 -12.760 5.344 4.019 1.00 0.00 WT3 H ATOM 37915 OH2 TIP3 1450 1.616 -0.298 3.399 1.00 0.00 WT3 O ATOM 37916 H1 TIP3 1450 1.890 1.475 11.016 1.00 0.00 WT3 H ATOM 37917 H2 TIP3 1450 0.630 -0.779 -10.232 1.00 0.00 WT3 H ATOM 37918 OH2 TIP3 1451 3.157 -4.865 -2.561 1.00 0.00 WT3 O ATOM 37919 H1 TIP3 1451 -1.025 6.543 -0.702 1.00 0.00 WT3 H ATOM 37920 H2 TIP3 1451 -13.995 13.001 -9.570 1.00 0.00 WT3 H ATOM 37921 OH2 TIP3 1453 5.730 -7.031 -7.207 1.00 0.00 WT3 O ATOM 37922 H1 TIP3 1453 2.244 -3.717 -15.198 1.00 0.00 WT3 H ATOM 37923 H2 TIP3 1453 -22.245 15.465 -11.673 1.00 0.00 WT3 H ATOM 37924 OH2 TIP3 1454 2.464 -1.782 5.075 1.00 0.00 WT3 O ATOM 37925 H1 TIP3 1454 -1.019 16.512 -5.067 1.00 0.00 WT3 H ATOM 37926 H2 TIP3 1454 13.598 -6.543 -2.492 1.00 0.00 WT3 H ATOM 37927 OH2 TIP3 1455 -0.529 1.087 -2.034 1.00 0.00 WT3 O ATOM 37928 H1 TIP3 1455 -3.103 -2.809 -6.518 1.00 0.00 WT3 H ATOM 37929 H2 TIP3 1455 -0.863 0.035 5.042 1.00 0.00 WT3 H ATOM 37930 OH2 TIP3 1456 0.642 -5.521 1.001 1.00 0.00 WT3 O ATOM 37931 H1 TIP3 1456 6.600 -19.366 3.243 1.00 0.00 WT3 H ATOM 37932 H2 TIP3 1456 -9.069 -17.569 8.716 1.00 0.00 WT3 H ATOM 37933 OH2 TIP3 1457 4.222 0.541 3.154 1.00 0.00 WT3 O ATOM 37934 H1 TIP3 1457 8.560 24.758 -2.233 1.00 0.00 WT3 H ATOM 37935 H2 TIP3 1457 13.214 -2.783 -1.276 1.00 0.00 WT3 H ATOM 37936 OH2 TIP3 1458 2.227 -3.115 2.299 1.00 0.00 WT3 O ATOM 37937 H1 TIP3 1458 5.758 20.769 -23.027 1.00 0.00 WT3 H ATOM 37938 H2 TIP3 1458 1.053 4.608 3.424 1.00 0.00 WT3 H ATOM 37939 OH2 TIP3 1459 -2.165 -1.021 -2.171 1.00 0.00 WT3 O ATOM 37940 H1 TIP3 1459 -7.062 0.928 -13.124 1.00 0.00 WT3 H ATOM 37941 H2 TIP3 1459 -4.052 -1.391 -2.376 1.00 0.00 WT3 H ATOM 37942 OH2 TIP3 1460 -5.232 -7.116 -5.894 1.00 0.00 WT3 O ATOM 37943 H1 TIP3 1460 -16.792 -8.061 3.438 1.00 0.00 WT3 H ATOM 37944 H2 TIP3 1460 -4.882 6.776 13.016 1.00 0.00 WT3 H ATOM 37945 OH2 TIP3 1461 3.230 -0.296 9.507 1.00 0.00 WT3 O ATOM 37946 H1 TIP3 1461 0.619 3.648 9.349 1.00 0.00 WT3 H ATOM 37947 H2 TIP3 1461 7.334 -1.132 1.319 1.00 0.00 WT3 H ATOM 37948 OH2 TIP3 1462 -6.070 6.988 -5.489 1.00 0.00 WT3 O ATOM 37949 H1 TIP3 1462 -15.461 1.519 -3.367 1.00 0.00 WT3 H ATOM 37950 H2 TIP3 1462 -6.822 6.181 4.283 1.00 0.00 WT3 H ATOM 37951 OH2 TIP3 1463 1.669 2.373 5.274 1.00 0.00 WT3 O ATOM 37952 H1 TIP3 1463 8.710 0.793 9.177 1.00 0.00 WT3 H ATOM 37953 H2 TIP3 1463 -13.313 8.942 13.571 1.00 0.00 WT3 H ATOM 37954 OH2 TIP3 1464 -3.654 1.714 -0.624 1.00 0.00 WT3 O ATOM 37955 H1 TIP3 1464 4.900 -5.379 -7.712 1.00 0.00 WT3 H ATOM 37956 H2 TIP3 1464 -2.572 1.979 3.937 1.00 0.00 WT3 H ATOM 37957 OH2 TIP3 1465 9.191 9.426 -10.526 1.00 0.00 WT3 O ATOM 37958 H1 TIP3 1465 22.582 6.648 -18.950 1.00 0.00 WT3 H ATOM 37959 H2 TIP3 1465 -8.651 0.034 -11.637 1.00 0.00 WT3 H ATOM 37960 OH2 TIP3 1467 -5.828 4.775 3.885 1.00 0.00 WT3 O ATOM 37961 H1 TIP3 1467 1.363 32.839 -18.492 1.00 0.00 WT3 H ATOM 37962 H2 TIP3 1467 -34.199 32.301 2.099 1.00 0.00 WT3 H ATOM 37963 OH2 TIP3 1468 2.162 -3.957 -0.700 1.00 0.00 WT3 O ATOM 37964 H1 TIP3 1468 -4.648 -0.101 -5.508 1.00 0.00 WT3 H ATOM 37965 H2 TIP3 1468 -4.758 1.571 -20.238 1.00 0.00 WT3 H ATOM 37966 OH2 TIP3 1470 -5.407 -1.258 7.472 1.00 0.00 WT3 O ATOM 37967 H1 TIP3 1470 0.748 -21.729 -7.917 1.00 0.00 WT3 H ATOM 37968 H2 TIP3 1470 -14.833 16.083 -14.096 1.00 0.00 WT3 H ATOM 37969 OH2 TIP3 1471 3.492 -8.255 -2.617 1.00 0.00 WT3 O ATOM 37970 H1 TIP3 1471 -1.624 -7.925 3.863 1.00 0.00 WT3 H ATOM 37971 H2 TIP3 1471 1.461 -20.610 -3.479 1.00 0.00 WT3 H ATOM 37972 OH2 TIP3 1474 5.317 -0.425 -3.012 1.00 0.00 WT3 O ATOM 37973 H1 TIP3 1474 9.030 -0.566 -0.524 1.00 0.00 WT3 H ATOM 37974 H2 TIP3 1474 -37.535 -6.055 -13.722 1.00 0.00 WT3 H ATOM 37975 OH2 TIP3 1475 -2.459 -3.578 0.680 1.00 0.00 WT3 O ATOM 37976 H1 TIP3 1475 -0.173 -13.253 -25.013 1.00 0.00 WT3 H ATOM 37977 H2 TIP3 1475 8.681 -19.876 1.258 1.00 0.00 WT3 H ATOM 37978 OH2 TIP3 1476 -2.704 2.411 3.536 1.00 0.00 WT3 O ATOM 37979 H1 TIP3 1476 -27.675 -15.417 -11.742 1.00 0.00 WT3 H ATOM 37980 H2 TIP3 1476 10.608 5.214 -10.866 1.00 0.00 WT3 H ATOM 37981 OH2 TIP3 1478 -8.375 3.295 1.419 1.00 0.00 WT3 O ATOM 37982 H1 TIP3 1478 -28.325 -14.514 -13.650 1.00 0.00 WT3 H ATOM 37983 H2 TIP3 1478 -3.130 8.588 -0.682 1.00 0.00 WT3 H ATOM 37984 OH2 TIP3 1479 -0.168 2.335 -2.765 1.00 0.00 WT3 O ATOM 37985 H1 TIP3 1479 21.763 11.828 -5.321 1.00 0.00 WT3 H ATOM 37986 H2 TIP3 1479 -17.196 -5.160 1.008 1.00 0.00 WT3 H ATOM 37987 OH2 TIP3 1480 -0.070 1.191 -3.767 1.00 0.00 WT3 O ATOM 37988 H1 TIP3 1480 -5.257 -31.333 20.265 1.00 0.00 WT3 H ATOM 37989 H2 TIP3 1480 -4.248 -15.847 -30.996 1.00 0.00 WT3 H ATOM 37990 OH2 TIP3 1481 0.435 6.000 -1.790 1.00 0.00 WT3 O ATOM 37991 H1 TIP3 1481 -20.246 6.252 -11.478 1.00 0.00 WT3 H ATOM 37992 H2 TIP3 1481 -20.223 6.684 -7.271 1.00 0.00 WT3 H ATOM 37993 OH2 TIP3 1482 -4.304 -0.624 -0.411 1.00 0.00 WT3 O ATOM 37994 H1 TIP3 1482 19.039 1.050 3.536 1.00 0.00 WT3 H ATOM 37995 H2 TIP3 1482 -5.403 17.320 11.358 1.00 0.00 WT3 H ATOM 37996 OH2 TIP3 1484 -4.304 3.534 -3.390 1.00 0.00 WT3 O ATOM 37997 H1 TIP3 1484 -0.949 -9.419 -19.847 1.00 0.00 WT3 H ATOM 37998 H2 TIP3 1484 -7.023 6.388 5.072 1.00 0.00 WT3 H ATOM 37999 OH2 TIP3 1486 -0.012 12.055 4.034 1.00 0.00 WT3 O ATOM 38000 H1 TIP3 1486 10.928 1.056 -0.446 1.00 0.00 WT3 H ATOM 38001 H2 TIP3 1486 -21.530 12.096 -2.068 1.00 0.00 WT3 H ATOM 38002 OH2 TIP3 1487 -0.914 -3.077 0.910 1.00 0.00 WT3 O ATOM 38003 H1 TIP3 1487 10.340 9.437 -4.827 1.00 0.00 WT3 H ATOM 38004 H2 TIP3 1487 -8.690 2.249 6.229 1.00 0.00 WT3 H ATOM 38005 OH2 TIP3 1489 0.488 1.545 -1.261 1.00 0.00 WT3 O ATOM 38006 H1 TIP3 1489 -1.946 12.090 -19.972 1.00 0.00 WT3 H ATOM 38007 H2 TIP3 1489 8.311 -5.412 -24.559 1.00 0.00 WT3 H ATOM 38008 OH2 TIP3 1491 1.927 1.736 -1.391 1.00 0.00 WT3 O ATOM 38009 H1 TIP3 1491 -12.925 -3.952 27.416 1.00 0.00 WT3 H ATOM 38010 H2 TIP3 1491 -19.492 -18.495 -0.839 1.00 0.00 WT3 H ATOM 38011 OH2 TIP3 1493 1.811 -3.575 -1.086 1.00 0.00 WT3 O ATOM 38012 H1 TIP3 1493 -2.194 2.351 4.729 1.00 0.00 WT3 H ATOM 38013 H2 TIP3 1493 2.821 16.069 -1.030 1.00 0.00 WT3 H ATOM 38014 OH2 TIP3 1494 3.363 1.014 12.187 1.00 0.00 WT3 O ATOM 38015 H1 TIP3 1494 3.592 19.071 2.361 1.00 0.00 WT3 H ATOM 38016 H2 TIP3 1494 21.036 -16.597 5.125 1.00 0.00 WT3 H ATOM 38017 OH2 TIP3 1495 3.788 4.174 3.617 1.00 0.00 WT3 O ATOM 38018 H1 TIP3 1495 23.174 3.206 17.443 1.00 0.00 WT3 H ATOM 38019 H2 TIP3 1495 2.991 5.841 -0.681 1.00 0.00 WT3 H ATOM 38020 OH2 TIP3 1496 -11.052 -2.832 8.245 1.00 0.00 WT3 O ATOM 38021 H1 TIP3 1496 6.545 22.082 8.727 1.00 0.00 WT3 H ATOM 38022 H2 TIP3 1496 -12.226 -21.277 36.285 1.00 0.00 WT3 H ATOM 38023 OH2 TIP3 1497 4.194 -4.471 3.236 1.00 0.00 WT3 O ATOM 38024 H1 TIP3 1497 4.395 24.598 -1.183 1.00 0.00 WT3 H ATOM 38025 H2 TIP3 1497 4.836 8.564 -2.990 1.00 0.00 WT3 H ATOM 38026 OH2 TIP3 1499 -4.863 1.896 0.167 1.00 0.00 WT3 O ATOM 38027 H1 TIP3 1499 -8.484 4.979 3.314 1.00 0.00 WT3 H ATOM 38028 H2 TIP3 1499 -0.771 3.433 -2.508 1.00 0.00 WT3 H ATOM 38029 OH2 TIP3 1501 4.742 3.282 -1.421 1.00 0.00 WT3 O ATOM 38030 H1 TIP3 1501 -11.801 0.483 8.774 1.00 0.00 WT3 H ATOM 38031 H2 TIP3 1501 -5.243 -3.613 -19.882 1.00 0.00 WT3 H ATOM 38032 OH2 TIP3 1502 -0.910 3.874 -6.062 1.00 0.00 WT3 O ATOM 38033 H1 TIP3 1502 2.984 -5.758 22.194 1.00 0.00 WT3 H ATOM 38034 H2 TIP3 1502 10.734 2.537 11.872 1.00 0.00 WT3 H ATOM 38035 OH2 TIP3 1503 6.253 -5.932 -4.249 1.00 0.00 WT3 O ATOM 38036 H1 TIP3 1503 6.844 17.661 -12.132 1.00 0.00 WT3 H ATOM 38037 H2 TIP3 1503 -14.455 1.695 12.730 1.00 0.00 WT3 H ATOM 38038 OH2 TIP3 1504 3.157 -3.038 0.523 1.00 0.00 WT3 O ATOM 38039 H1 TIP3 1504 5.853 -10.558 3.508 1.00 0.00 WT3 H ATOM 38040 H2 TIP3 1504 8.707 -3.896 -3.378 1.00 0.00 WT3 H ATOM 38041 OH2 TIP3 1505 0.934 -2.993 -0.754 1.00 0.00 WT3 O ATOM 38042 H1 TIP3 1505 9.497 -6.563 -4.599 1.00 0.00 WT3 H ATOM 38043 H2 TIP3 1505 0.667 0.587 3.399 1.00 0.00 WT3 H ATOM 38044 OH2 TIP3 1509 -2.425 -1.127 -1.495 1.00 0.00 WT3 O ATOM 38045 H1 TIP3 1509 8.581 14.480 -9.079 1.00 0.00 WT3 H ATOM 38046 H2 TIP3 1509 10.507 16.704 -8.525 1.00 0.00 WT3 H ATOM 38047 OH2 TIP3 1510 4.881 0.903 2.462 1.00 0.00 WT3 O ATOM 38048 H1 TIP3 1510 -14.058 -4.304 -2.730 1.00 0.00 WT3 H ATOM 38049 H2 TIP3 1510 0.613 22.055 8.314 1.00 0.00 WT3 H ATOM 38050 OH2 TIP3 1511 0.042 0.805 -3.240 1.00 0.00 WT3 O ATOM 38051 H1 TIP3 1511 -9.874 2.612 -8.957 1.00 0.00 WT3 H ATOM 38052 H2 TIP3 1511 -2.207 1.365 0.612 1.00 0.00 WT3 H ATOM 38053 OH2 TIP3 1512 0.855 1.723 -1.090 1.00 0.00 WT3 O ATOM 38054 H1 TIP3 1512 -4.676 -1.316 16.028 1.00 0.00 WT3 H ATOM 38055 H2 TIP3 1512 13.715 -14.000 -17.886 1.00 0.00 WT3 H ATOM 38056 OH2 TIP3 1513 -3.114 -5.478 -2.807 1.00 0.00 WT3 O ATOM 38057 H1 TIP3 1513 10.740 -8.123 17.767 1.00 0.00 WT3 H ATOM 38058 H2 TIP3 1513 -1.721 -5.602 -0.499 1.00 0.00 WT3 H ATOM 38059 OH2 TIP3 1515 0.518 -2.096 2.854 1.00 0.00 WT3 O ATOM 38060 H1 TIP3 1515 0.918 -0.195 1.073 1.00 0.00 WT3 H ATOM 38061 H2 TIP3 1515 0.441 -3.389 2.150 1.00 0.00 WT3 H ATOM 38062 OH2 TIP3 1516 -4.906 -4.029 6.460 1.00 0.00 WT3 O ATOM 38063 H1 TIP3 1516 4.840 7.992 10.884 1.00 0.00 WT3 H ATOM 38064 H2 TIP3 1516 -9.059 8.005 8.830 1.00 0.00 WT3 H ATOM 38065 OH2 TIP3 1517 -2.388 0.553 1.759 1.00 0.00 WT3 O ATOM 38066 H1 TIP3 1517 -6.237 0.698 4.637 1.00 0.00 WT3 H ATOM 38067 H2 TIP3 1517 -1.397 -27.348 16.404 1.00 0.00 WT3 H ATOM 38068 OH2 TIP3 1518 7.058 -3.625 -4.880 1.00 0.00 WT3 O ATOM 38069 H1 TIP3 1518 22.900 -1.484 -2.518 1.00 0.00 WT3 H ATOM 38070 H2 TIP3 1518 -0.858 -1.609 10.401 1.00 0.00 WT3 H ATOM 38071 OH2 TIP3 1519 6.490 -2.508 -0.885 1.00 0.00 WT3 O ATOM 38072 H1 TIP3 1519 -19.224 -0.540 10.855 1.00 0.00 WT3 H ATOM 38073 H2 TIP3 1519 3.423 -6.154 13.887 1.00 0.00 WT3 H ATOM 38074 OH2 TIP3 1520 3.488 0.327 -3.220 1.00 0.00 WT3 O ATOM 38075 H1 TIP3 1520 7.709 13.383 10.359 1.00 0.00 WT3 H ATOM 38076 H2 TIP3 1520 11.597 -13.552 9.054 1.00 0.00 WT3 H ATOM 38077 OH2 TIP3 1522 -0.847 2.687 0.949 1.00 0.00 WT3 O ATOM 38078 H1 TIP3 1522 11.941 4.815 7.226 1.00 0.00 WT3 H ATOM 38079 H2 TIP3 1522 -7.587 17.716 8.005 1.00 0.00 WT3 H ATOM 38080 OH2 TIP3 1523 -2.449 -0.634 -6.135 1.00 0.00 WT3 O ATOM 38081 H1 TIP3 1523 -2.801 -6.897 -7.862 1.00 0.00 WT3 H ATOM 38082 H2 TIP3 1523 -4.157 1.330 -5.693 1.00 0.00 WT3 H ATOM 38083 OH2 TIP3 1524 -2.894 -0.807 -7.622 1.00 0.00 WT3 O ATOM 38084 H1 TIP3 1524 1.642 9.848 9.361 1.00 0.00 WT3 H ATOM 38085 H2 TIP3 1524 20.138 -19.141 -4.930 1.00 0.00 WT3 H ATOM 38086 OH2 TIP3 1525 0.026 0.859 -3.277 1.00 0.00 WT3 O ATOM 38087 H1 TIP3 1525 13.365 7.903 5.286 1.00 0.00 WT3 H ATOM 38088 H2 TIP3 1525 20.353 10.827 0.596 1.00 0.00 WT3 H ATOM 38089 OH2 TIP3 1529 -5.633 4.797 -0.246 1.00 0.00 WT3 O ATOM 38090 H1 TIP3 1529 -14.052 15.062 2.618 1.00 0.00 WT3 H ATOM 38091 H2 TIP3 1529 -1.753 15.934 -4.152 1.00 0.00 WT3 H ATOM 38092 OH2 TIP3 1530 -1.858 -6.137 -1.017 1.00 0.00 WT3 O ATOM 38093 H1 TIP3 1530 -8.187 -2.583 10.606 1.00 0.00 WT3 H ATOM 38094 H2 TIP3 1530 12.313 -6.745 3.325 1.00 0.00 WT3 H ATOM 38095 OH2 TIP3 1532 0.372 7.463 -0.002 1.00 0.00 WT3 O ATOM 38096 H1 TIP3 1532 -0.059 8.354 -0.312 1.00 0.00 WT3 H ATOM 38097 H2 TIP3 1532 10.791 -10.203 -18.811 1.00 0.00 WT3 H ATOM 38098 OH2 TIP3 1533 2.800 2.788 -1.773 1.00 0.00 WT3 O ATOM 38099 H1 TIP3 1533 13.520 6.539 10.889 1.00 0.00 WT3 H ATOM 38100 H2 TIP3 1533 8.481 6.517 4.320 1.00 0.00 WT3 H ATOM 38101 OH2 TIP3 1541 5.188 1.417 -3.124 1.00 0.00 WT3 O ATOM 38102 H1 TIP3 1541 -5.417 -4.748 -23.423 1.00 0.00 WT3 H ATOM 38103 H2 TIP3 1541 -15.204 4.287 -13.495 1.00 0.00 WT3 H ATOM 38104 OH2 TIP3 1542 3.650 2.108 -4.394 1.00 0.00 WT3 O ATOM 38105 H1 TIP3 1542 -9.756 -8.953 4.065 1.00 0.00 WT3 H ATOM 38106 H2 TIP3 1542 4.366 5.446 -10.146 1.00 0.00 WT3 H ATOM 38107 OH2 TIP3 1547 2.092 -13.474 0.212 1.00 0.00 WT3 O ATOM 38108 H1 TIP3 1547 8.126 -15.891 15.657 1.00 0.00 WT3 H ATOM 38109 H2 TIP3 1547 3.890 -19.832 -5.772 1.00 0.00 WT3 H ATOM 38110 OH2 TIP3 1548 -3.588 5.855 2.373 1.00 0.00 WT3 O ATOM 38111 H1 TIP3 1548 -5.037 2.123 4.841 1.00 0.00 WT3 H ATOM 38112 H2 TIP3 1548 -4.382 -23.872 12.770 1.00 0.00 WT3 H ATOM 38113 OH2 TIP3 1550 2.775 -7.774 -1.345 1.00 0.00 WT3 O ATOM 38114 H1 TIP3 1550 -4.928 4.598 -1.115 1.00 0.00 WT3 H ATOM 38115 H2 TIP3 1550 13.947 -19.589 2.084 1.00 0.00 WT3 H ATOM 38116 OH2 TIP3 1551 -9.466 1.588 -0.847 1.00 0.00 WT3 O ATOM 38117 H1 TIP3 1551 13.426 -7.194 10.342 1.00 0.00 WT3 H ATOM 38118 H2 TIP3 1551 -8.880 9.275 19.115 1.00 0.00 WT3 H ATOM 38119 OH2 TIP3 1558 8.764 1.994 6.328 1.00 0.00 WT3 O ATOM 38120 H1 TIP3 1558 13.139 1.582 -17.865 1.00 0.00 WT3 H ATOM 38121 H2 TIP3 1558 10.554 1.185 2.770 1.00 0.00 WT3 H ATOM 38122 OH2 TIP3 1559 -2.888 6.607 -1.409 1.00 0.00 WT3 O ATOM 38123 H1 TIP3 1559 -20.824 13.686 -15.709 1.00 0.00 WT3 H ATOM 38124 H2 TIP3 1559 21.503 2.856 -3.847 1.00 0.00 WT3 H ATOM 38125 OH2 TIP3 1587 -0.186 -5.328 5.674 1.00 0.00 WT3 O ATOM 38126 H1 TIP3 1587 18.043 12.424 11.921 1.00 0.00 WT3 H ATOM 38127 H2 TIP3 1587 -8.715 8.293 8.996 1.00 0.00 WT3 H ATOM 38128 OH2 TIP3 1592 -2.182 -2.469 -1.579 1.00 0.00 WT3 O ATOM 38129 H1 TIP3 1592 30.529 11.963 14.226 1.00 0.00 WT3 H ATOM 38130 H2 TIP3 1592 -7.409 -1.639 -22.045 1.00 0.00 WT3 H ATOM 38131 OH2 TIP3 1593 -6.660 -3.243 -1.349 1.00 0.00 WT3 O ATOM 38132 H1 TIP3 1593 -6.411 4.424 4.831 1.00 0.00 WT3 H ATOM 38133 H2 TIP3 1593 -8.788 -10.336 -0.942 1.00 0.00 WT3 H ATOM 38134 OH2 TIP3 1609 -8.009 6.173 3.893 1.00 0.00 WT3 O ATOM 38135 H1 TIP3 1609 -19.748 -8.312 -18.440 1.00 0.00 WT3 H ATOM 38136 H2 TIP3 1609 7.814 15.883 -21.775 1.00 0.00 WT3 H ATOM 38137 OH2 TIP3 1611 -4.665 -2.191 -4.741 1.00 0.00 WT3 O ATOM 38138 H1 TIP3 1611 -1.951 -8.485 -5.013 1.00 0.00 WT3 H ATOM 38139 H2 TIP3 1611 -9.203 10.576 -5.717 1.00 0.00 WT3 H ATOM 38140 OH2 TIP3 1618 -5.376 5.333 -1.238 1.00 0.00 WT3 O ATOM 38141 H1 TIP3 1618 4.527 22.168 3.232 1.00 0.00 WT3 H ATOM 38142 H2 TIP3 1618 -1.004 -2.096 -3.752 1.00 0.00 WT3 H ATOM 38143 OH2 TIP3 1621 1.915 3.088 7.496 1.00 0.00 WT3 O ATOM 38144 H1 TIP3 1621 -6.627 10.199 15.078 1.00 0.00 WT3 H ATOM 38145 H2 TIP3 1621 3.994 5.582 7.842 1.00 0.00 WT3 H ATOM 38146 OH2 TIP3 1630 -0.717 -3.392 -1.406 1.00 0.00 WT3 O ATOM 38147 H1 TIP3 1630 7.216 -2.852 11.472 1.00 0.00 WT3 H ATOM 38148 H2 TIP3 1630 17.147 -3.004 27.091 1.00 0.00 WT3 H ATOM 38149 OH2 TIP3 1650 -0.397 2.823 0.120 1.00 0.00 WT3 O ATOM 38150 H1 TIP3 1650 0.272 -13.658 -21.921 1.00 0.00 WT3 H ATOM 38151 H2 TIP3 1650 -8.677 -11.881 -8.492 1.00 0.00 WT3 H ATOM 38152 OH2 TIP3 1670 2.320 4.270 -2.385 1.00 0.00 WT3 O ATOM 38153 H1 TIP3 1670 19.815 12.577 -1.847 1.00 0.00 WT3 H ATOM 38154 H2 TIP3 1670 -10.306 -1.290 -2.885 1.00 0.00 WT3 H ATOM 38155 OH2 TIP3 1692 -1.059 1.859 4.826 1.00 0.00 WT3 O ATOM 38156 H1 TIP3 1692 -4.508 -10.760 -2.460 1.00 0.00 WT3 H ATOM 38157 H2 TIP3 1692 0.635 -18.125 0.597 1.00 0.00 WT3 H ATOM 38158 OH2 TIP3 1707 1.086 -2.776 -1.482 1.00 0.00 WT3 O ATOM 38159 H1 TIP3 1707 10.624 1.600 10.152 1.00 0.00 WT3 H ATOM 38160 H2 TIP3 1707 4.709 0.600 -16.924 1.00 0.00 WT3 H ATOM 38161 OH2 TIP3 1711 -7.763 -1.049 2.465 1.00 0.00 WT3 O ATOM 38162 H1 TIP3 1711 -9.203 7.773 -10.301 1.00 0.00 WT3 H ATOM 38163 H2 TIP3 1711 -10.737 -5.333 -12.360 1.00 0.00 WT3 H ATOM 38164 OH2 TIP3 1712 2.281 2.760 6.769 1.00 0.00 WT3 O ATOM 38165 H1 TIP3 1712 1.131 6.933 -7.699 1.00 0.00 WT3 H ATOM 38166 H2 TIP3 1712 -3.911 11.627 0.087 1.00 0.00 WT3 H ATOM 38167 OH2 TIP3 1714 -5.294 -0.906 -4.023 1.00 0.00 WT3 O ATOM 38168 H1 TIP3 1714 -12.294 -5.962 -12.490 1.00 0.00 WT3 H ATOM 38169 H2 TIP3 1714 4.843 6.872 7.874 1.00 0.00 WT3 H ATOM 38170 OH2 TIP3 1715 6.817 0.573 3.825 1.00 0.00 WT3 O ATOM 38171 H1 TIP3 1715 -18.456 -5.084 -10.525 1.00 0.00 WT3 H ATOM 38172 H2 TIP3 1715 8.447 29.908 3.815 1.00 0.00 WT3 H ATOM 38173 OH2 TIP3 1718 -0.395 0.477 -5.667 1.00 0.00 WT3 O ATOM 38174 H1 TIP3 1718 -4.656 7.008 -10.175 1.00 0.00 WT3 H ATOM 38175 H2 TIP3 1718 -0.778 -2.531 -4.059 1.00 0.00 WT3 H ATOM 38176 OH2 TIP3 1722 5.619 -4.681 8.422 1.00 0.00 WT3 O ATOM 38177 H1 TIP3 1722 1.745 1.471 1.509 1.00 0.00 WT3 H ATOM 38178 H2 TIP3 1722 5.394 -0.254 17.014 1.00 0.00 WT3 H ATOM 38179 OH2 TIP3 1723 1.386 -5.587 -6.038 1.00 0.00 WT3 O ATOM 38180 H1 TIP3 1723 5.301 -3.042 -6.385 1.00 0.00 WT3 H ATOM 38181 H2 TIP3 1723 2.507 -4.045 -9.452 1.00 0.00 WT3 H ATOM 38182 OH2 TIP3 1725 1.027 3.195 2.394 1.00 0.00 WT3 O ATOM 38183 H1 TIP3 1725 18.161 14.275 -7.658 1.00 0.00 WT3 H ATOM 38184 H2 TIP3 1725 -20.411 -5.073 -19.320 1.00 0.00 WT3 H ATOM 38185 OH2 TIP3 1727 4.625 0.491 -0.229 1.00 0.00 WT3 O ATOM 38186 H1 TIP3 1727 9.090 -26.626 -4.429 1.00 0.00 WT3 H ATOM 38187 H2 TIP3 1727 6.662 -5.878 -6.057 1.00 0.00 WT3 H ATOM 38188 OH2 TIP3 1729 -7.332 -3.178 4.118 1.00 0.00 WT3 O ATOM 38189 H1 TIP3 1729 -23.166 7.588 11.535 1.00 0.00 WT3 H ATOM 38190 H2 TIP3 1729 -4.290 -0.278 -14.009 1.00 0.00 WT3 H ATOM 38191 OH2 TIP3 1730 -6.942 -1.869 -0.495 1.00 0.00 WT3 O ATOM 38192 H1 TIP3 1730 17.158 -6.874 -7.075 1.00 0.00 WT3 H ATOM 38193 H2 TIP3 1730 -30.244 32.857 10.004 1.00 0.00 WT3 H ATOM 38194 OH2 TIP3 1733 0.936 -2.562 1.081 1.00 0.00 WT3 O ATOM 38195 H1 TIP3 1733 15.800 -7.012 1.957 1.00 0.00 WT3 H ATOM 38196 H2 TIP3 1733 -10.549 -2.812 10.178 1.00 0.00 WT3 H ATOM 38197 OH2 TIP3 1736 2.353 0.278 -3.398 1.00 0.00 WT3 O ATOM 38198 H1 TIP3 1736 -5.989 12.807 0.904 1.00 0.00 WT3 H ATOM 38199 H2 TIP3 1736 17.850 -9.291 1.579 1.00 0.00 WT3 H ATOM 38200 OH2 TIP3 1741 1.654 5.521 -2.122 1.00 0.00 WT3 O ATOM 38201 H1 TIP3 1741 -3.139 6.051 10.830 1.00 0.00 WT3 H ATOM 38202 H2 TIP3 1741 2.063 6.209 -0.531 1.00 0.00 WT3 H ATOM 38203 OH2 TIP3 1744 0.752 -2.693 -0.979 1.00 0.00 WT3 O ATOM 38204 H1 TIP3 1744 3.281 -6.117 0.786 1.00 0.00 WT3 H ATOM 38205 H2 TIP3 1744 11.668 -16.452 6.899 1.00 0.00 WT3 H ATOM 38206 OH2 TIP3 1746 1.921 -7.676 7.219 1.00 0.00 WT3 O ATOM 38207 H1 TIP3 1746 15.139 -3.819 -10.161 1.00 0.00 WT3 H ATOM 38208 H2 TIP3 1746 19.217 -1.641 -12.351 1.00 0.00 WT3 H ATOM 38209 OH2 TIP3 1748 0.247 2.615 -1.252 1.00 0.00 WT3 O ATOM 38210 H1 TIP3 1748 6.049 -27.729 6.843 1.00 0.00 WT3 H ATOM 38211 H2 TIP3 1748 -6.198 19.463 -23.700 1.00 0.00 WT3 H ATOM 38212 OH2 TIP3 1750 -2.317 -1.292 -1.573 1.00 0.00 WT3 O ATOM 38213 H1 TIP3 1750 20.800 3.390 4.577 1.00 0.00 WT3 H ATOM 38214 H2 TIP3 1750 13.762 -17.543 -9.613 1.00 0.00 WT3 H ATOM 38215 OH2 TIP3 1752 2.604 -1.132 -2.996 1.00 0.00 WT3 O ATOM 38216 H1 TIP3 1752 -1.868 20.742 -4.487 1.00 0.00 WT3 H ATOM 38217 H2 TIP3 1752 10.438 -3.416 -3.803 1.00 0.00 WT3 H ATOM 38218 OH2 TIP3 1755 -5.677 -0.756 -3.328 1.00 0.00 WT3 O ATOM 38219 H1 TIP3 1755 4.787 3.360 -0.716 1.00 0.00 WT3 H ATOM 38220 H2 TIP3 1755 -4.514 -1.244 -5.814 1.00 0.00 WT3 H ATOM 38221 OH2 TIP3 1756 8.702 1.352 2.089 1.00 0.00 WT3 O ATOM 38222 H1 TIP3 1756 13.848 -5.287 -2.214 1.00 0.00 WT3 H ATOM 38223 H2 TIP3 1756 10.579 5.500 13.622 1.00 0.00 WT3 H ATOM 38224 OH2 TIP3 1757 0.371 0.376 0.823 1.00 0.00 WT3 O ATOM 38225 H1 TIP3 1757 19.856 3.519 -6.352 1.00 0.00 WT3 H ATOM 38226 H2 TIP3 1757 -10.833 -5.602 21.839 1.00 0.00 WT3 H ATOM 38227 OH2 TIP3 1764 3.950 2.544 -7.976 1.00 0.00 WT3 O ATOM 38228 H1 TIP3 1764 9.844 17.337 -12.640 1.00 0.00 WT3 H ATOM 38229 H2 TIP3 1764 -16.628 -0.745 5.400 1.00 0.00 WT3 H ATOM 38230 OH2 TIP3 1766 -5.415 4.140 -2.314 1.00 0.00 WT3 O ATOM 38231 H1 TIP3 1766 -29.530 21.371 -7.401 1.00 0.00 WT3 H ATOM 38232 H2 TIP3 1766 4.974 -36.200 10.183 1.00 0.00 WT3 H ATOM 38233 OH2 TIP3 1768 2.185 6.404 -2.817 1.00 0.00 WT3 O ATOM 38234 H1 TIP3 1768 -4.032 -9.648 7.167 1.00 0.00 WT3 H ATOM 38235 H2 TIP3 1768 -0.474 -9.405 5.070 1.00 0.00 WT3 H ATOM 38236 OH2 TIP3 1771 -10.689 -0.546 -2.682 1.00 0.00 WT3 O ATOM 38237 H1 TIP3 1771 -21.607 -2.759 -9.404 1.00 0.00 WT3 H ATOM 38238 H2 TIP3 1771 -16.274 -5.350 -15.417 1.00 0.00 WT3 H ATOM 38239 OH2 TIP3 1772 3.196 3.472 4.393 1.00 0.00 WT3 O ATOM 38240 H1 TIP3 1772 -7.950 -3.096 5.328 1.00 0.00 WT3 H ATOM 38241 H2 TIP3 1772 8.191 5.130 12.070 1.00 0.00 WT3 H ATOM 38242 OH2 TIP3 1773 -5.235 1.858 -1.760 1.00 0.00 WT3 O ATOM 38243 H1 TIP3 1773 -6.434 3.320 -4.643 1.00 0.00 WT3 H ATOM 38244 H2 TIP3 1773 -12.549 5.986 -12.487 1.00 0.00 WT3 H ATOM 38245 OH2 TIP3 1775 -1.000 -4.527 -3.708 1.00 0.00 WT3 O ATOM 38246 H1 TIP3 1775 -21.592 9.483 -32.044 1.00 0.00 WT3 H ATOM 38247 H2 TIP3 1775 -14.048 1.233 -9.062 1.00 0.00 WT3 H ATOM 38248 OH2 TIP3 1776 0.079 -3.905 0.228 1.00 0.00 WT3 O ATOM 38249 H1 TIP3 1776 -2.065 -10.401 -3.062 1.00 0.00 WT3 H ATOM 38250 H2 TIP3 1776 0.886 0.486 -5.711 1.00 0.00 WT3 H ATOM 38251 OH2 TIP3 1778 -1.222 -8.706 -5.543 1.00 0.00 WT3 O ATOM 38252 H1 TIP3 1778 -1.360 -25.007 -15.994 1.00 0.00 WT3 H ATOM 38253 H2 TIP3 1778 -0.509 -1.015 -0.053 1.00 0.00 WT3 H ATOM 38254 OH2 TIP3 1779 -5.582 5.213 0.699 1.00 0.00 WT3 O ATOM 38255 H1 TIP3 1779 0.808 -11.686 10.283 1.00 0.00 WT3 H ATOM 38256 H2 TIP3 1779 -27.189 6.863 -19.345 1.00 0.00 WT3 H ATOM 38257 OH2 TIP3 1782 -4.285 0.453 1.913 1.00 0.00 WT3 O ATOM 38258 H1 TIP3 1782 -16.027 10.176 17.307 1.00 0.00 WT3 H ATOM 38259 H2 TIP3 1782 6.551 -8.799 -2.470 1.00 0.00 WT3 H ATOM 38260 OH2 TIP3 1786 1.063 -5.734 1.519 1.00 0.00 WT3 O ATOM 38261 H1 TIP3 1786 13.154 -0.601 3.848 1.00 0.00 WT3 H ATOM 38262 H2 TIP3 1786 -36.305 3.042 -22.070 1.00 0.00 WT3 H ATOM 38263 OH2 TIP3 1788 -4.162 -1.012 0.181 1.00 0.00 WT3 O ATOM 38264 H1 TIP3 1788 -0.321 -11.322 -4.100 1.00 0.00 WT3 H ATOM 38265 H2 TIP3 1788 -8.664 -14.899 -6.914 1.00 0.00 WT3 H ATOM 38266 OH2 TIP3 1789 -2.120 5.613 -2.140 1.00 0.00 WT3 O ATOM 38267 H1 TIP3 1789 -5.912 11.374 -9.533 1.00 0.00 WT3 H ATOM 38268 H2 TIP3 1789 -7.513 10.864 -11.357 1.00 0.00 WT3 H ATOM 38269 OH2 TIP3 1790 -1.727 -3.913 1.224 1.00 0.00 WT3 O ATOM 38270 H1 TIP3 1790 -2.225 11.581 -0.886 1.00 0.00 WT3 H ATOM 38271 H2 TIP3 1790 4.372 -23.688 9.635 1.00 0.00 WT3 H ATOM 38272 OH2 TIP3 1794 3.051 1.038 -3.023 1.00 0.00 WT3 O ATOM 38273 H1 TIP3 1794 -16.455 8.866 18.650 1.00 0.00 WT3 H ATOM 38274 H2 TIP3 1794 -21.972 14.578 -9.399 1.00 0.00 WT3 H ATOM 38275 OH2 TIP3 1795 -4.985 2.889 7.312 1.00 0.00 WT3 O ATOM 38276 H1 TIP3 1795 -3.436 4.386 -3.750 1.00 0.00 WT3 H ATOM 38277 H2 TIP3 1795 -0.986 -18.004 15.948 1.00 0.00 WT3 H ATOM 38278 OH2 TIP3 1796 -2.469 -8.732 -2.432 1.00 0.00 WT3 O ATOM 38279 H1 TIP3 1796 4.651 -26.236 21.686 1.00 0.00 WT3 H ATOM 38280 H2 TIP3 1796 5.682 -14.124 13.307 1.00 0.00 WT3 H ATOM 38281 OH2 TIP3 1798 1.221 1.301 -1.104 1.00 0.00 WT3 O ATOM 38282 H1 TIP3 1798 14.992 -5.273 5.115 1.00 0.00 WT3 H ATOM 38283 H2 TIP3 1798 -0.997 -3.362 -23.602 1.00 0.00 WT3 H ATOM 38284 OH2 TIP3 1800 2.714 -4.164 -1.043 1.00 0.00 WT3 O ATOM 38285 H1 TIP3 1800 16.075 -12.654 0.083 1.00 0.00 WT3 H ATOM 38286 H2 TIP3 1800 -2.478 32.996 -35.054 1.00 0.00 WT3 H ATOM 38287 OH2 TIP3 1804 -1.647 -5.380 0.552 1.00 0.00 WT3 O ATOM 38288 H1 TIP3 1804 -18.497 -2.934 -3.048 1.00 0.00 WT3 H ATOM 38289 H2 TIP3 1804 23.089 16.437 -13.595 1.00 0.00 WT3 H ATOM 38290 OH2 TIP3 1805 -2.012 6.373 -3.868 1.00 0.00 WT3 O ATOM 38291 H1 TIP3 1805 -9.751 -1.921 -2.038 1.00 0.00 WT3 H ATOM 38292 H2 TIP3 1805 -12.675 -5.465 -1.527 1.00 0.00 WT3 H ATOM 38293 OH2 TIP3 1808 -3.141 -1.486 2.782 1.00 0.00 WT3 O ATOM 38294 H1 TIP3 1808 3.893 -7.056 1.215 1.00 0.00 WT3 H ATOM 38295 H2 TIP3 1808 -1.330 7.391 -0.765 1.00 0.00 WT3 H ATOM 38296 OH2 TIP3 1810 1.155 3.216 -4.852 1.00 0.00 WT3 O ATOM 38297 H1 TIP3 1810 6.539 7.689 3.295 1.00 0.00 WT3 H ATOM 38298 H2 TIP3 1810 4.796 -3.525 -9.668 1.00 0.00 WT3 H ATOM 38299 OH2 TIP3 1811 7.413 -3.540 2.474 1.00 0.00 WT3 O ATOM 38300 H1 TIP3 1811 11.019 -0.069 16.575 1.00 0.00 WT3 H ATOM 38301 H2 TIP3 1811 9.429 1.467 10.076 1.00 0.00 WT3 H ATOM 38302 OH2 TIP3 1812 -0.564 2.161 3.728 1.00 0.00 WT3 O ATOM 38303 H1 TIP3 1812 0.470 -36.198 -8.300 1.00 0.00 WT3 H ATOM 38304 H2 TIP3 1812 1.477 -19.103 -16.353 1.00 0.00 WT3 H ATOM 38305 OH2 TIP3 1813 2.135 -4.652 -0.351 1.00 0.00 WT3 O ATOM 38306 H1 TIP3 1813 1.855 -2.027 -3.186 1.00 0.00 WT3 H ATOM 38307 H2 TIP3 1813 -4.788 -7.714 -8.779 1.00 0.00 WT3 H ATOM 38308 OH2 TIP3 1814 -6.537 4.828 1.782 1.00 0.00 WT3 O ATOM 38309 H1 TIP3 1814 -15.474 11.290 -3.025 1.00 0.00 WT3 H ATOM 38310 H2 TIP3 1814 -13.579 13.192 -6.206 1.00 0.00 WT3 H ATOM 38311 OH2 TIP3 1815 -3.517 -1.036 8.516 1.00 0.00 WT3 O ATOM 38312 H1 TIP3 1815 8.229 -13.161 -1.586 1.00 0.00 WT3 H ATOM 38313 H2 TIP3 1815 -8.823 10.066 4.640 1.00 0.00 WT3 H ATOM 38314 OH2 TIP3 1816 -7.516 6.188 1.460 1.00 0.00 WT3 O ATOM 38315 H1 TIP3 1816 2.947 -5.689 11.871 1.00 0.00 WT3 H ATOM 38316 H2 TIP3 1816 4.537 -12.662 4.015 1.00 0.00 WT3 H ATOM 38317 OH2 TIP3 1817 4.061 -4.553 1.665 1.00 0.00 WT3 O ATOM 38318 H1 TIP3 1817 10.712 0.326 -4.836 1.00 0.00 WT3 H ATOM 38319 H2 TIP3 1817 15.285 4.018 -10.560 1.00 0.00 WT3 H ATOM 38320 OH2 TIP3 1818 -1.272 2.949 -2.403 1.00 0.00 WT3 O ATOM 38321 H1 TIP3 1818 8.213 8.736 0.478 1.00 0.00 WT3 H ATOM 38322 H2 TIP3 1818 3.040 5.356 -0.810 1.00 0.00 WT3 H ATOM 38323 OH2 TIP3 1819 5.262 1.136 -3.679 1.00 0.00 WT3 O ATOM 38324 H1 TIP3 1819 20.057 -5.478 -8.115 1.00 0.00 WT3 H ATOM 38325 H2 TIP3 1819 -1.343 1.935 -0.933 1.00 0.00 WT3 H ATOM 38326 OH2 TIP3 1820 1.477 -5.757 2.954 1.00 0.00 WT3 O ATOM 38327 H1 TIP3 1820 -9.578 10.991 -27.422 1.00 0.00 WT3 H ATOM 38328 H2 TIP3 1820 0.952 -8.641 5.396 1.00 0.00 WT3 H ATOM 38329 OH2 TIP3 1821 -5.826 -1.988 -0.671 1.00 0.00 WT3 O ATOM 38330 H1 TIP3 1821 -4.654 -0.384 -8.180 1.00 0.00 WT3 H ATOM 38331 H2 TIP3 1821 -7.748 -1.378 7.619 1.00 0.00 WT3 H ATOM 38332 OH2 TIP3 1824 -3.757 7.776 9.776 1.00 0.00 WT3 O ATOM 38333 H1 TIP3 1824 -13.827 -5.826 4.191 1.00 0.00 WT3 H ATOM 38334 H2 TIP3 1824 -4.373 3.937 12.295 1.00 0.00 WT3 H ATOM 38335 OH2 TIP3 1825 -1.138 -7.409 3.311 1.00 0.00 WT3 O ATOM 38336 H1 TIP3 1825 8.301 -12.007 -4.220 1.00 0.00 WT3 H ATOM 38337 H2 TIP3 1825 -2.911 1.483 -6.383 1.00 0.00 WT3 H ATOM 38338 OH2 TIP3 1828 -7.102 -7.061 4.290 1.00 0.00 WT3 O ATOM 38339 H1 TIP3 1828 -2.961 -2.872 -6.221 1.00 0.00 WT3 H ATOM 38340 H2 TIP3 1828 -5.280 2.888 12.982 1.00 0.00 WT3 H ATOM 38341 OH2 TIP3 1829 0.248 -1.400 -0.404 1.00 0.00 WT3 O ATOM 38342 H1 TIP3 1829 -2.187 -10.288 -5.994 1.00 0.00 WT3 H ATOM 38343 H2 TIP3 1829 4.089 -5.040 8.314 1.00 0.00 WT3 H ATOM 38344 OH2 TIP3 1830 6.367 -3.731 -3.546 1.00 0.00 WT3 O ATOM 38345 H1 TIP3 1830 13.749 34.875 -2.543 1.00 0.00 WT3 H ATOM 38346 H2 TIP3 1830 6.914 4.926 2.095 1.00 0.00 WT3 H ATOM 38347 OH2 TIP3 1831 2.257 1.619 0.856 1.00 0.00 WT3 O ATOM 38348 H1 TIP3 1831 1.350 -1.125 4.202 1.00 0.00 WT3 H ATOM 38349 H2 TIP3 1831 -4.386 31.173 13.212 1.00 0.00 WT3 H ATOM 38350 OH2 TIP3 1832 -2.325 5.546 -0.676 1.00 0.00 WT3 O ATOM 38351 H1 TIP3 1832 17.128 32.784 -3.258 1.00 0.00 WT3 H ATOM 38352 H2 TIP3 1832 17.095 8.580 -12.519 1.00 0.00 WT3 H ATOM 38353 OH2 TIP3 1833 -3.600 -0.048 1.045 1.00 0.00 WT3 O ATOM 38354 H1 TIP3 1833 -0.940 -13.149 -8.876 1.00 0.00 WT3 H ATOM 38355 H2 TIP3 1833 13.430 -19.578 1.592 1.00 0.00 WT3 H ATOM 38356 OH2 TIP3 1835 3.273 -3.800 4.857 1.00 0.00 WT3 O ATOM 38357 H1 TIP3 1835 6.555 -28.093 18.240 1.00 0.00 WT3 H ATOM 38358 H2 TIP3 1835 7.456 -9.498 14.126 1.00 0.00 WT3 H ATOM 38359 OH2 TIP3 1836 -5.807 2.572 -2.160 1.00 0.00 WT3 O ATOM 38360 H1 TIP3 1836 -3.888 3.130 -1.518 1.00 0.00 WT3 H ATOM 38361 H2 TIP3 1836 -6.280 1.284 -0.681 1.00 0.00 WT3 H ATOM 38362 OH2 TIP3 1837 1.573 2.936 -8.519 1.00 0.00 WT3 O ATOM 38363 H1 TIP3 1837 -11.103 -4.729 -9.001 1.00 0.00 WT3 H ATOM 38364 H2 TIP3 1837 37.664 5.892 -2.654 1.00 0.00 WT3 H ATOM 38365 OH2 TIP3 1838 -3.820 -5.079 0.858 1.00 0.00 WT3 O ATOM 38366 H1 TIP3 1838 -0.759 -13.662 9.664 1.00 0.00 WT3 H ATOM 38367 H2 TIP3 1838 -19.060 -16.537 0.843 1.00 0.00 WT3 H ATOM 38368 OH2 TIP3 1839 -0.492 1.590 -5.493 1.00 0.00 WT3 O ATOM 38369 H1 TIP3 1839 -3.898 15.169 -3.908 1.00 0.00 WT3 H ATOM 38370 H2 TIP3 1839 -12.075 -4.666 -8.164 1.00 0.00 WT3 H ATOM 38371 OH2 TIP3 1840 7.208 -0.777 -3.773 1.00 0.00 WT3 O ATOM 38372 H1 TIP3 1840 15.796 3.267 -14.046 1.00 0.00 WT3 H ATOM 38373 H2 TIP3 1840 0.013 -11.218 7.669 1.00 0.00 WT3 H ATOM 38374 OH2 TIP3 1841 -1.994 6.434 -4.273 1.00 0.00 WT3 O ATOM 38375 H1 TIP3 1841 20.644 5.896 -20.875 1.00 0.00 WT3 H ATOM 38376 H2 TIP3 1841 3.363 10.327 -20.640 1.00 0.00 WT3 H ATOM 38377 OH2 TIP3 1842 2.055 -0.366 -5.091 1.00 0.00 WT3 O ATOM 38378 H1 TIP3 1842 2.492 -12.095 19.372 1.00 0.00 WT3 H ATOM 38379 H2 TIP3 1842 0.305 -21.353 -16.436 1.00 0.00 WT3 H ATOM 38380 OH2 TIP3 1843 -2.780 0.753 3.988 1.00 0.00 WT3 O ATOM 38381 H1 TIP3 1843 3.095 0.460 28.709 1.00 0.00 WT3 H ATOM 38382 H2 TIP3 1843 -4.035 1.251 6.125 1.00 0.00 WT3 H ATOM 38383 OH2 TIP3 1844 -2.846 -5.163 0.001 1.00 0.00 WT3 O ATOM 38384 H1 TIP3 1844 -6.468 10.129 7.543 1.00 0.00 WT3 H ATOM 38385 H2 TIP3 1844 9.561 -3.357 10.645 1.00 0.00 WT3 H ATOM 38386 OH2 TIP3 1845 4.273 -4.654 3.448 1.00 0.00 WT3 O ATOM 38387 H1 TIP3 1845 19.441 12.829 -6.951 1.00 0.00 WT3 H ATOM 38388 H2 TIP3 1845 25.188 5.498 -8.794 1.00 0.00 WT3 H ATOM 38389 OH2 TIP3 1846 -2.396 6.112 -4.770 1.00 0.00 WT3 O ATOM 38390 H1 TIP3 1846 5.192 15.201 -20.973 1.00 0.00 WT3 H ATOM 38391 H2 TIP3 1846 -2.654 2.588 -5.575 1.00 0.00 WT3 H ATOM 38392 OH2 TIP3 1847 -8.711 -7.017 -1.631 1.00 0.00 WT3 O ATOM 38393 H1 TIP3 1847 -6.695 -3.841 -25.977 1.00 0.00 WT3 H ATOM 38394 H2 TIP3 1847 14.301 -7.145 -7.138 1.00 0.00 WT3 H ATOM 38395 OH2 TIP3 1848 -6.641 -3.190 0.462 1.00 0.00 WT3 O ATOM 38396 H1 TIP3 1848 14.459 22.971 -20.617 1.00 0.00 WT3 H ATOM 38397 H2 TIP3 1848 -8.541 -2.373 7.743 1.00 0.00 WT3 H ATOM 38398 OH2 TIP3 1850 -1.814 -3.981 -6.868 1.00 0.00 WT3 O ATOM 38399 H1 TIP3 1850 0.886 -0.694 -1.285 1.00 0.00 WT3 H ATOM 38400 H2 TIP3 1850 -2.891 -10.166 -3.926 1.00 0.00 WT3 H ATOM 38401 OH2 TIP3 1851 0.186 1.242 6.619 1.00 0.00 WT3 O ATOM 38402 H1 TIP3 1851 18.226 -18.138 -0.778 1.00 0.00 WT3 H ATOM 38403 H2 TIP3 1851 -4.080 8.534 -3.060 1.00 0.00 WT3 H ATOM 38404 OH2 TIP3 1852 3.479 -2.785 -7.658 1.00 0.00 WT3 O ATOM 38405 H1 TIP3 1852 11.181 -3.003 -4.369 1.00 0.00 WT3 H ATOM 38406 H2 TIP3 1852 -10.434 8.834 -23.728 1.00 0.00 WT3 H ATOM 38407 OH2 TIP3 1853 5.102 4.410 -1.323 1.00 0.00 WT3 O ATOM 38408 H1 TIP3 1853 2.017 1.882 -8.599 1.00 0.00 WT3 H ATOM 38409 H2 TIP3 1853 16.236 -3.212 9.609 1.00 0.00 WT3 H ATOM 38410 OH2 TIP3 1854 -1.065 -5.119 3.901 1.00 0.00 WT3 O ATOM 38411 H1 TIP3 1854 24.348 6.371 -7.917 1.00 0.00 WT3 H ATOM 38412 H2 TIP3 1854 6.155 9.030 10.276 1.00 0.00 WT3 H ATOM 38413 OH2 TIP3 1856 -0.002 1.263 -0.425 1.00 0.00 WT3 O ATOM 38414 H1 TIP3 1856 2.930 -2.152 2.145 1.00 0.00 WT3 H ATOM 38415 H2 TIP3 1856 -0.015 -1.936 -4.788 1.00 0.00 WT3 H ATOM 38416 OH2 TIP3 1857 -3.399 -6.732 3.206 1.00 0.00 WT3 O ATOM 38417 H1 TIP3 1857 -5.707 -9.770 7.369 1.00 0.00 WT3 H ATOM 38418 H2 TIP3 1857 12.780 14.078 -21.533 1.00 0.00 WT3 H ATOM 38419 OH2 TIP3 1858 -0.567 -7.819 -5.049 1.00 0.00 WT3 O ATOM 38420 H1 TIP3 1858 -7.980 13.465 15.289 1.00 0.00 WT3 H ATOM 38421 H2 TIP3 1858 25.182 -14.256 -8.903 1.00 0.00 WT3 H ATOM 38422 OH2 TIP3 1859 -5.615 -1.070 1.559 1.00 0.00 WT3 O ATOM 38423 H1 TIP3 1859 -2.252 -0.041 5.869 1.00 0.00 WT3 H ATOM 38424 H2 TIP3 1859 12.812 21.375 -17.816 1.00 0.00 WT3 H ATOM 38425 OH2 TIP3 1860 0.693 5.004 -1.411 1.00 0.00 WT3 O ATOM 38426 H1 TIP3 1860 -13.909 17.077 4.706 1.00 0.00 WT3 H ATOM 38427 H2 TIP3 1860 8.330 0.302 -0.411 1.00 0.00 WT3 H ATOM 38428 OH2 TIP3 1861 0.883 -8.782 1.583 1.00 0.00 WT3 O ATOM 38429 H1 TIP3 1861 -0.040 -7.963 4.126 1.00 0.00 WT3 H ATOM 38430 H2 TIP3 1861 -2.971 -9.419 2.725 1.00 0.00 WT3 H ATOM 38431 OH2 TIP3 1863 7.716 -0.094 -5.668 1.00 0.00 WT3 O ATOM 38432 H1 TIP3 1863 -3.828 -14.187 -11.413 1.00 0.00 WT3 H ATOM 38433 H2 TIP3 1863 -18.051 34.341 7.711 1.00 0.00 WT3 H ATOM 38434 OH2 TIP3 1864 6.305 3.428 3.671 1.00 0.00 WT3 O ATOM 38435 H1 TIP3 1864 13.427 4.008 1.631 1.00 0.00 WT3 H ATOM 38436 H2 TIP3 1864 6.973 -0.494 10.548 1.00 0.00 WT3 H ATOM 38437 OH2 TIP3 1866 -3.368 -1.282 -0.664 1.00 0.00 WT3 O ATOM 38438 H1 TIP3 1866 3.564 -4.159 -2.790 1.00 0.00 WT3 H ATOM 38439 H2 TIP3 1866 -4.286 -0.278 -4.466 1.00 0.00 WT3 H ATOM 38440 OH2 TIP3 1869 0.808 -0.507 3.298 1.00 0.00 WT3 O ATOM 38441 H1 TIP3 1869 3.785 5.131 6.606 1.00 0.00 WT3 H ATOM 38442 H2 TIP3 1869 -2.685 -15.287 -20.492 1.00 0.00 WT3 H ATOM 38443 OH2 TIP3 1870 0.583 2.569 0.670 1.00 0.00 WT3 O ATOM 38444 H1 TIP3 1870 -2.837 7.727 10.886 1.00 0.00 WT3 H ATOM 38445 H2 TIP3 1870 14.338 -9.622 -5.291 1.00 0.00 WT3 H ATOM 38446 OH2 TIP3 1871 1.336 -0.544 -4.445 1.00 0.00 WT3 O ATOM 38447 H1 TIP3 1871 -1.610 -0.032 -8.962 1.00 0.00 WT3 H ATOM 38448 H2 TIP3 1871 5.347 -0.535 3.492 1.00 0.00 WT3 H ATOM 38449 OH2 TIP3 1872 3.491 1.004 1.859 1.00 0.00 WT3 O ATOM 38450 H1 TIP3 1872 2.242 -7.920 -6.375 1.00 0.00 WT3 H ATOM 38451 H2 TIP3 1872 1.834 9.445 8.271 1.00 0.00 WT3 H ATOM 38452 OH2 TIP3 1873 -4.297 -1.700 2.078 1.00 0.00 WT3 O ATOM 38453 H1 TIP3 1873 7.584 4.370 -2.385 1.00 0.00 WT3 H ATOM 38454 H2 TIP3 1873 -5.845 -10.840 4.292 1.00 0.00 WT3 H ATOM 38455 OH2 TIP3 1874 2.032 0.155 4.431 1.00 0.00 WT3 O ATOM 38456 H1 TIP3 1874 18.293 -14.129 3.350 1.00 0.00 WT3 H ATOM 38457 H2 TIP3 1874 -26.483 0.559 -11.397 1.00 0.00 WT3 H ATOM 38458 OH2 TIP3 1875 -9.193 4.770 -6.080 1.00 0.00 WT3 O ATOM 38459 H1 TIP3 1875 -15.103 -3.602 5.239 1.00 0.00 WT3 H ATOM 38460 H2 TIP3 1875 -7.726 5.504 -18.213 1.00 0.00 WT3 H ATOM 38461 OH2 TIP3 1876 -5.765 0.375 2.670 1.00 0.00 WT3 O ATOM 38462 H1 TIP3 1876 -0.015 -3.728 0.510 1.00 0.00 WT3 H ATOM 38463 H2 TIP3 1876 -13.065 0.512 9.402 1.00 0.00 WT3 H ATOM 38464 OH2 TIP3 1878 -2.938 6.369 -2.061 1.00 0.00 WT3 O ATOM 38465 H1 TIP3 1878 -13.167 0.284 2.288 1.00 0.00 WT3 H ATOM 38466 H2 TIP3 1878 -22.401 -5.230 18.663 1.00 0.00 WT3 H ATOM 38467 OH2 TIP3 1879 7.861 -5.339 -3.968 1.00 0.00 WT3 O ATOM 38468 H1 TIP3 1879 -0.823 16.476 6.027 1.00 0.00 WT3 H ATOM 38469 H2 TIP3 1879 6.760 -2.983 -3.246 1.00 0.00 WT3 H ATOM 38470 OH2 TIP3 1880 2.879 -5.946 -5.767 1.00 0.00 WT3 O ATOM 38471 H1 TIP3 1880 -20.327 1.765 9.212 1.00 0.00 WT3 H ATOM 38472 H2 TIP3 1880 -0.587 -6.791 -3.115 1.00 0.00 WT3 H ATOM 38473 OH2 TIP3 1881 5.328 -4.421 -3.227 1.00 0.00 WT3 O ATOM 38474 H1 TIP3 1881 -14.391 22.634 0.569 1.00 0.00 WT3 H ATOM 38475 H2 TIP3 1881 9.247 -4.148 -20.184 1.00 0.00 WT3 H ATOM 38476 OH2 TIP3 1882 -3.727 -5.988 0.866 1.00 0.00 WT3 O ATOM 38477 H1 TIP3 1882 -5.079 -5.257 -14.973 1.00 0.00 WT3 H ATOM 38478 H2 TIP3 1882 17.766 -17.230 1.548 1.00 0.00 WT3 H ATOM 38479 OH2 TIP3 1883 2.938 -0.762 -8.857 1.00 0.00 WT3 O ATOM 38480 H1 TIP3 1883 19.471 33.244 3.717 1.00 0.00 WT3 H ATOM 38481 H2 TIP3 1883 -4.792 11.552 -11.481 1.00 0.00 WT3 H ATOM 38482 OH2 TIP3 1885 -4.694 -1.520 -4.062 1.00 0.00 WT3 O ATOM 38483 H1 TIP3 1885 -3.010 -11.058 -25.524 1.00 0.00 WT3 H ATOM 38484 H2 TIP3 1885 -9.248 6.108 -4.753 1.00 0.00 WT3 H ATOM 38485 OH2 TIP3 1886 7.053 -7.420 4.280 1.00 0.00 WT3 O ATOM 38486 H1 TIP3 1886 7.583 4.104 6.414 1.00 0.00 WT3 H ATOM 38487 H2 TIP3 1886 6.922 -1.799 -5.758 1.00 0.00 WT3 H ATOM 38488 OH2 TIP3 1887 0.912 6.034 -4.563 1.00 0.00 WT3 O ATOM 38489 H1 TIP3 1887 4.096 2.194 0.146 1.00 0.00 WT3 H ATOM 38490 H2 TIP3 1887 4.154 11.103 -5.504 1.00 0.00 WT3 H ATOM 38491 OH2 TIP3 1888 -0.315 1.694 -7.283 1.00 0.00 WT3 O ATOM 38492 H1 TIP3 1888 8.027 -5.681 -12.668 1.00 0.00 WT3 H ATOM 38493 H2 TIP3 1888 -4.716 26.784 0.999 1.00 0.00 WT3 H ATOM 38494 OH2 TIP3 1889 -1.700 -2.509 4.855 1.00 0.00 WT3 O ATOM 38495 H1 TIP3 1889 2.776 -5.557 5.176 1.00 0.00 WT3 H ATOM 38496 H2 TIP3 1889 -14.665 10.023 -1.944 1.00 0.00 WT3 H ATOM 38497 OH2 TIP3 1890 -0.732 -0.574 -3.949 1.00 0.00 WT3 O ATOM 38498 H1 TIP3 1890 29.560 3.646 13.366 1.00 0.00 WT3 H ATOM 38499 H2 TIP3 1890 -6.945 -1.600 -8.165 1.00 0.00 WT3 H ATOM 38500 OH2 TIP3 1891 -3.235 2.383 0.792 1.00 0.00 WT3 O ATOM 38501 H1 TIP3 1891 3.648 -3.091 0.876 1.00 0.00 WT3 H ATOM 38502 H2 TIP3 1891 5.935 4.602 -13.970 1.00 0.00 WT3 H ATOM 38503 OH2 TIP3 1893 9.827 -3.130 2.405 1.00 0.00 WT3 O ATOM 38504 H1 TIP3 1893 -3.421 3.349 12.245 1.00 0.00 WT3 H ATOM 38505 H2 TIP3 1893 5.386 1.552 -13.187 1.00 0.00 WT3 H ATOM 38506 OH2 TIP3 1894 -3.075 2.646 0.986 1.00 0.00 WT3 O ATOM 38507 H1 TIP3 1894 12.082 -0.987 4.637 1.00 0.00 WT3 H ATOM 38508 H2 TIP3 1894 -7.063 -11.854 -12.917 1.00 0.00 WT3 H ATOM 38509 OH2 TIP3 1895 2.350 1.465 0.105 1.00 0.00 WT3 O ATOM 38510 H1 TIP3 1895 -8.408 -3.351 22.310 1.00 0.00 WT3 H ATOM 38511 H2 TIP3 1895 9.273 16.257 3.060 1.00 0.00 WT3 H ATOM 38512 OH2 TIP3 1896 -3.522 -5.769 -4.296 1.00 0.00 WT3 O ATOM 38513 H1 TIP3 1896 -0.047 -2.791 -11.579 1.00 0.00 WT3 H ATOM 38514 H2 TIP3 1896 -13.111 -2.565 -4.474 1.00 0.00 WT3 H ATOM 38515 OH2 TIP3 1897 -3.772 -0.649 3.101 1.00 0.00 WT3 O ATOM 38516 H1 TIP3 1897 12.723 -11.172 -4.617 1.00 0.00 WT3 H ATOM 38517 H2 TIP3 1897 1.249 24.490 20.301 1.00 0.00 WT3 H ATOM 38518 OH2 TIP3 1898 -4.169 1.239 -2.423 1.00 0.00 WT3 O ATOM 38519 H1 TIP3 1898 -8.113 1.085 -23.452 1.00 0.00 WT3 H ATOM 38520 H2 TIP3 1898 -14.705 -13.957 -4.117 1.00 0.00 WT3 H ATOM 38521 OH2 TIP3 1899 -2.273 6.024 -11.310 1.00 0.00 WT3 O ATOM 38522 H1 TIP3 1899 -15.613 12.558 1.194 1.00 0.00 WT3 H ATOM 38523 H2 TIP3 1899 2.856 0.493 -3.197 1.00 0.00 WT3 H ATOM 38524 OH2 TIP3 1900 -1.347 4.451 3.384 1.00 0.00 WT3 O ATOM 38525 H1 TIP3 1900 0.199 4.615 2.360 1.00 0.00 WT3 H ATOM 38526 H2 TIP3 1900 -1.705 5.215 2.931 1.00 0.00 WT3 H ATOM 38527 OH2 TIP3 1901 2.765 -11.709 -2.966 1.00 0.00 WT3 O ATOM 38528 H1 TIP3 1901 5.355 -1.682 -4.703 1.00 0.00 WT3 H ATOM 38529 H2 TIP3 1901 -5.602 -14.995 -0.141 1.00 0.00 WT3 H ATOM 38530 OH2 TIP3 1902 -2.152 1.212 -4.121 1.00 0.00 WT3 O ATOM 38531 H1 TIP3 1902 1.113 -2.201 -10.961 1.00 0.00 WT3 H ATOM 38532 H2 TIP3 1902 -2.913 -0.963 -12.349 1.00 0.00 WT3 H ATOM 38533 OH2 TIP3 1903 1.049 -0.381 0.046 1.00 0.00 WT3 O ATOM 38534 H1 TIP3 1903 -4.501 10.528 -8.555 1.00 0.00 WT3 H ATOM 38535 H2 TIP3 1903 17.184 12.525 -15.061 1.00 0.00 WT3 H ATOM 38536 OH2 TIP3 1904 1.186 -1.245 6.867 1.00 0.00 WT3 O ATOM 38537 H1 TIP3 1904 -26.821 1.225 -10.916 1.00 0.00 WT3 H ATOM 38538 H2 TIP3 1904 24.248 -13.115 -11.467 1.00 0.00 WT3 H ATOM 38539 OH2 TIP3 1905 6.864 4.092 -2.556 1.00 0.00 WT3 O ATOM 38540 H1 TIP3 1905 -4.641 -13.038 -5.538 1.00 0.00 WT3 H ATOM 38541 H2 TIP3 1905 -4.785 14.175 6.426 1.00 0.00 WT3 H ATOM 38542 OH2 TIP3 1906 4.249 -0.798 -8.337 1.00 0.00 WT3 O ATOM 38543 H1 TIP3 1906 -13.033 -11.216 5.345 1.00 0.00 WT3 H ATOM 38544 H2 TIP3 1906 10.431 -17.883 -20.923 1.00 0.00 WT3 H ATOM 38545 OH2 TIP3 1907 1.520 -5.702 -2.920 1.00 0.00 WT3 O ATOM 38546 H1 TIP3 1907 -3.449 -13.658 -2.733 1.00 0.00 WT3 H ATOM 38547 H2 TIP3 1907 6.218 0.182 -4.010 1.00 0.00 WT3 H ATOM 38548 OH2 TIP3 1908 -1.362 0.314 -2.228 1.00 0.00 WT3 O ATOM 38549 H1 TIP3 1908 0.896 2.992 4.988 1.00 0.00 WT3 H ATOM 38550 H2 TIP3 1908 10.763 4.576 7.608 1.00 0.00 WT3 H ATOM 38551 OH2 TIP3 1909 2.937 0.581 -3.395 1.00 0.00 WT3 O ATOM 38552 H1 TIP3 1909 -10.405 -4.339 -24.746 1.00 0.00 WT3 H ATOM 38553 H2 TIP3 1909 -0.722 -19.317 1.309 1.00 0.00 WT3 H ATOM 38554 OH2 TIP3 1911 -5.071 -0.247 -0.742 1.00 0.00 WT3 O ATOM 38555 H1 TIP3 1911 -19.879 -6.419 2.591 1.00 0.00 WT3 H ATOM 38556 H2 TIP3 1911 -11.302 0.260 -6.664 1.00 0.00 WT3 H ATOM 38557 OH2 TIP3 1912 -3.371 -5.785 -2.031 1.00 0.00 WT3 O ATOM 38558 H1 TIP3 1912 -13.230 -13.190 -0.661 1.00 0.00 WT3 H ATOM 38559 H2 TIP3 1912 -6.342 -1.688 11.822 1.00 0.00 WT3 H ATOM 38560 OH2 TIP3 1914 -0.057 3.865 -3.075 1.00 0.00 WT3 O ATOM 38561 H1 TIP3 1914 2.224 2.899 -1.224 1.00 0.00 WT3 H ATOM 38562 H2 TIP3 1914 0.994 8.310 -4.079 1.00 0.00 WT3 H ATOM 38563 OH2 TIP3 1915 0.801 2.991 3.157 1.00 0.00 WT3 O ATOM 38564 H1 TIP3 1915 8.337 1.978 7.194 1.00 0.00 WT3 H ATOM 38565 H2 TIP3 1915 2.681 4.806 1.375 1.00 0.00 WT3 H ATOM 38566 OH2 TIP3 1917 -0.194 -4.800 1.026 1.00 0.00 WT3 O ATOM 38567 H1 TIP3 1917 -7.554 -8.752 4.444 1.00 0.00 WT3 H ATOM 38568 H2 TIP3 1917 5.533 5.351 -1.367 1.00 0.00 WT3 H ATOM 38569 OH2 TIP3 1919 5.503 -0.001 -0.639 1.00 0.00 WT3 O ATOM 38570 H1 TIP3 1919 21.343 -34.887 -1.838 1.00 0.00 WT3 H ATOM 38571 H2 TIP3 1919 -6.254 -7.203 28.620 1.00 0.00 WT3 H ATOM 38572 OH2 TIP3 1920 -1.878 0.926 -1.689 1.00 0.00 WT3 O ATOM 38573 H1 TIP3 1920 4.856 -10.459 -2.264 1.00 0.00 WT3 H ATOM 38574 H2 TIP3 1920 -15.079 -2.656 -4.662 1.00 0.00 WT3 H ATOM 38575 OH2 TIP3 1921 -1.143 -2.207 -2.318 1.00 0.00 WT3 O ATOM 38576 H1 TIP3 1921 9.767 -6.008 -2.064 1.00 0.00 WT3 H ATOM 38577 H2 TIP3 1921 -4.267 -19.556 -5.478 1.00 0.00 WT3 H ATOM 38578 OH2 TIP3 1922 -0.312 3.152 5.670 1.00 0.00 WT3 O ATOM 38579 H1 TIP3 1922 3.881 -2.513 16.953 1.00 0.00 WT3 H ATOM 38580 H2 TIP3 1922 8.524 9.192 -0.913 1.00 0.00 WT3 H ATOM 38581 OH2 TIP3 1923 -4.768 -5.434 -2.706 1.00 0.00 WT3 O ATOM 38582 H1 TIP3 1923 -11.123 -17.211 14.405 1.00 0.00 WT3 H ATOM 38583 H2 TIP3 1923 3.959 -7.086 -15.686 1.00 0.00 WT3 H ATOM 38584 OH2 TIP3 1925 4.706 8.951 -2.127 1.00 0.00 WT3 O ATOM 38585 H1 TIP3 1925 -22.879 -10.196 14.359 1.00 0.00 WT3 H ATOM 38586 H2 TIP3 1925 1.692 13.370 8.808 1.00 0.00 WT3 H ATOM 38587 OH2 TIP3 1926 -2.540 2.588 4.285 1.00 0.00 WT3 O ATOM 38588 H1 TIP3 1926 9.233 3.683 14.860 1.00 0.00 WT3 H ATOM 38589 H2 TIP3 1926 -0.367 17.334 -13.665 1.00 0.00 WT3 H ATOM 38590 OH2 TIP3 1927 -2.305 -1.441 6.563 1.00 0.00 WT3 O ATOM 38591 H1 TIP3 1927 -3.580 -0.693 9.235 1.00 0.00 WT3 H ATOM 38592 H2 TIP3 1927 -2.487 -3.303 2.390 1.00 0.00 WT3 H ATOM 38593 OH2 TIP3 1928 3.619 -1.436 -4.318 1.00 0.00 WT3 O ATOM 38594 H1 TIP3 1928 11.773 -1.241 1.551 1.00 0.00 WT3 H ATOM 38595 H2 TIP3 1928 2.521 -2.993 -6.693 1.00 0.00 WT3 H ATOM 38596 OH2 TIP3 1929 3.991 -2.994 -3.141 1.00 0.00 WT3 O ATOM 38597 H1 TIP3 1929 -15.629 -1.442 -23.877 1.00 0.00 WT3 H ATOM 38598 H2 TIP3 1929 8.903 9.384 15.349 1.00 0.00 WT3 H ATOM 38599 OH2 TIP3 1930 -1.430 -0.485 3.964 1.00 0.00 WT3 O ATOM 38600 H1 TIP3 1930 -22.081 -8.333 22.908 1.00 0.00 WT3 H ATOM 38601 H2 TIP3 1930 -8.633 7.700 -15.239 1.00 0.00 WT3 H ATOM 38602 OH2 TIP3 1931 -0.873 -5.369 3.207 1.00 0.00 WT3 O ATOM 38603 H1 TIP3 1931 2.463 -15.831 5.286 1.00 0.00 WT3 H ATOM 38604 H2 TIP3 1931 -8.286 13.545 -5.115 1.00 0.00 WT3 H ATOM 38605 OH2 TIP3 1932 -0.401 -1.867 1.166 1.00 0.00 WT3 O ATOM 38606 H1 TIP3 1932 -14.704 -8.369 -12.995 1.00 0.00 WT3 H ATOM 38607 H2 TIP3 1932 11.543 -0.940 4.465 1.00 0.00 WT3 H ATOM 38608 OH2 TIP3 1935 -2.419 -0.398 9.758 1.00 0.00 WT3 O ATOM 38609 H1 TIP3 1935 -13.408 -15.196 -0.187 1.00 0.00 WT3 H ATOM 38610 H2 TIP3 1935 -1.314 -2.668 7.218 1.00 0.00 WT3 H ATOM 38611 OH2 TIP3 1936 -5.111 2.859 1.678 1.00 0.00 WT3 O ATOM 38612 H1 TIP3 1936 13.032 -24.284 -9.642 1.00 0.00 WT3 H ATOM 38613 H2 TIP3 1936 -6.665 28.479 6.072 1.00 0.00 WT3 H ATOM 38614 OH2 TIP3 1937 5.242 0.877 -5.398 1.00 0.00 WT3 O ATOM 38615 H1 TIP3 1937 8.277 5.379 2.306 1.00 0.00 WT3 H ATOM 38616 H2 TIP3 1937 4.754 -3.163 -6.416 1.00 0.00 WT3 H ATOM 38617 OH2 TIP3 1938 1.730 3.482 -1.012 1.00 0.00 WT3 O ATOM 38618 H1 TIP3 1938 -0.484 5.809 2.050 1.00 0.00 WT3 H ATOM 38619 H2 TIP3 1938 4.476 -4.579 -9.494 1.00 0.00 WT3 H ATOM 38620 OH2 TIP3 1940 -2.197 -0.451 -4.361 1.00 0.00 WT3 O ATOM 38621 H1 TIP3 1940 -20.435 -15.961 28.861 1.00 0.00 WT3 H ATOM 38622 H2 TIP3 1940 10.331 -12.401 3.975 1.00 0.00 WT3 H ATOM 38623 OH2 TIP3 1941 -3.328 0.592 0.396 1.00 0.00 WT3 O ATOM 38624 H1 TIP3 1941 -4.003 4.627 -0.040 1.00 0.00 WT3 H ATOM 38625 H2 TIP3 1941 -4.922 -3.166 3.090 1.00 0.00 WT3 H ATOM 38626 OH2 TIP3 1943 6.985 8.436 -7.085 1.00 0.00 WT3 O ATOM 38627 H1 TIP3 1943 3.936 1.599 0.616 1.00 0.00 WT3 H ATOM 38628 H2 TIP3 1943 11.900 0.971 -6.773 1.00 0.00 WT3 H ATOM 38629 OH2 TIP3 1944 -1.404 0.868 -0.794 1.00 0.00 WT3 O ATOM 38630 H1 TIP3 1944 13.827 -15.080 -4.202 1.00 0.00 WT3 H ATOM 38631 H2 TIP3 1944 26.330 -7.603 -6.826 1.00 0.00 WT3 H ATOM 38632 OH2 TIP3 1945 2.512 -3.075 -6.811 1.00 0.00 WT3 O ATOM 38633 H1 TIP3 1945 -8.925 16.761 -6.433 1.00 0.00 WT3 H ATOM 38634 H2 TIP3 1945 -13.842 21.700 14.555 1.00 0.00 WT3 H ATOM 38635 OH2 TIP3 1947 3.054 -1.970 -0.519 1.00 0.00 WT3 O ATOM 38636 H1 TIP3 1947 11.381 -13.564 -0.440 1.00 0.00 WT3 H ATOM 38637 H2 TIP3 1947 32.021 -3.890 -1.725 1.00 0.00 WT3 H ATOM 38638 OH2 TIP3 1948 -1.099 -0.647 1.397 1.00 0.00 WT3 O ATOM 38639 H1 TIP3 1948 -4.584 6.394 -2.849 1.00 0.00 WT3 H ATOM 38640 H2 TIP3 1948 14.501 -5.455 2.988 1.00 0.00 WT3 H ATOM 38641 OH2 TIP3 1949 2.001 0.955 -6.074 1.00 0.00 WT3 O ATOM 38642 H1 TIP3 1949 -2.573 -3.720 -21.473 1.00 0.00 WT3 H ATOM 38643 H2 TIP3 1949 -6.211 8.719 4.919 1.00 0.00 WT3 H ATOM 38644 OH2 TIP3 1950 6.443 -0.015 2.355 1.00 0.00 WT3 O ATOM 38645 H1 TIP3 1950 22.364 -29.681 6.860 1.00 0.00 WT3 H ATOM 38646 H2 TIP3 1950 -17.355 0.566 14.676 1.00 0.00 WT3 H ATOM 38647 OH2 TIP3 1951 -0.162 1.608 -6.255 1.00 0.00 WT3 O ATOM 38648 H1 TIP3 1951 -4.754 1.984 -16.563 1.00 0.00 WT3 H ATOM 38649 H2 TIP3 1951 -13.108 41.337 17.137 1.00 0.00 WT3 H ATOM 38650 OH2 TIP3 1952 -1.398 -0.755 -1.597 1.00 0.00 WT3 O ATOM 38651 H1 TIP3 1952 -12.677 5.780 -4.298 1.00 0.00 WT3 H ATOM 38652 H2 TIP3 1952 18.891 -15.854 -3.088 1.00 0.00 WT3 H ATOM 38653 OH2 TIP3 1954 -5.745 -4.751 4.591 1.00 0.00 WT3 O ATOM 38654 H1 TIP3 1954 0.723 3.142 7.315 1.00 0.00 WT3 H ATOM 38655 H2 TIP3 1954 -10.010 -7.671 -1.615 1.00 0.00 WT3 H ATOM 38656 OH2 TIP3 1955 1.947 -3.630 -1.030 1.00 0.00 WT3 O ATOM 38657 H1 TIP3 1955 -2.259 8.693 0.618 1.00 0.00 WT3 H ATOM 38658 H2 TIP3 1955 2.313 -5.980 -0.229 1.00 0.00 WT3 H ATOM 38659 OH2 TIP3 1956 -0.817 3.683 4.654 1.00 0.00 WT3 O ATOM 38660 H1 TIP3 1956 -23.118 15.275 -6.692 1.00 0.00 WT3 H ATOM 38661 H2 TIP3 1956 4.364 -35.238 4.554 1.00 0.00 WT3 H ATOM 38662 OH2 TIP3 1957 0.004 5.459 9.103 1.00 0.00 WT3 O ATOM 38663 H1 TIP3 1957 8.063 11.412 1.729 1.00 0.00 WT3 H ATOM 38664 H2 TIP3 1957 -6.397 -8.243 -2.681 1.00 0.00 WT3 H ATOM 38665 OH2 TIP3 1958 -4.109 0.884 -2.133 1.00 0.00 WT3 O ATOM 38666 H1 TIP3 1958 8.426 -12.129 -12.253 1.00 0.00 WT3 H ATOM 38667 H2 TIP3 1958 11.331 -0.001 1.066 1.00 0.00 WT3 H ATOM 38668 OH2 TIP3 1960 6.529 -5.570 2.432 1.00 0.00 WT3 O ATOM 38669 H1 TIP3 1960 2.728 0.851 -7.788 1.00 0.00 WT3 H ATOM 38670 H2 TIP3 1960 0.891 7.774 9.937 1.00 0.00 WT3 H ATOM 38671 OH2 TIP3 1961 0.968 0.388 0.171 1.00 0.00 WT3 O ATOM 38672 H1 TIP3 1961 3.669 15.476 -32.087 1.00 0.00 WT3 H ATOM 38673 H2 TIP3 1961 3.376 14.503 -22.824 1.00 0.00 WT3 H ATOM 38674 OH2 TIP3 1962 -1.461 1.481 -5.297 1.00 0.00 WT3 O ATOM 38675 H1 TIP3 1962 3.419 -4.325 14.372 1.00 0.00 WT3 H ATOM 38676 H2 TIP3 1962 -12.359 -15.879 -13.471 1.00 0.00 WT3 H ATOM 38677 OH2 TIP3 1965 5.113 5.136 -2.053 1.00 0.00 WT3 O ATOM 38678 H1 TIP3 1965 -9.714 -5.249 3.262 1.00 0.00 WT3 H ATOM 38679 H2 TIP3 1965 7.081 15.741 -1.700 1.00 0.00 WT3 H ATOM 38680 OH2 TIP3 1966 -4.764 -2.501 -0.542 1.00 0.00 WT3 O ATOM 38681 H1 TIP3 1966 -1.613 -4.693 4.012 1.00 0.00 WT3 H ATOM 38682 H2 TIP3 1966 -10.886 -4.048 -3.700 1.00 0.00 WT3 H ATOM 38683 OH2 TIP3 1967 -0.792 1.790 -0.941 1.00 0.00 WT3 O ATOM 38684 H1 TIP3 1967 -10.980 -5.907 17.869 1.00 0.00 WT3 H ATOM 38685 H2 TIP3 1967 -16.764 9.842 -9.349 1.00 0.00 WT3 H ATOM 38686 OH2 TIP3 1969 -2.411 -1.127 1.130 1.00 0.00 WT3 O ATOM 38687 H1 TIP3 1969 -2.126 -4.651 2.882 1.00 0.00 WT3 H ATOM 38688 H2 TIP3 1969 10.899 4.341 -0.308 1.00 0.00 WT3 H ATOM 38689 OH2 TIP3 1970 -1.405 0.777 0.054 1.00 0.00 WT3 O ATOM 38690 H1 TIP3 1970 0.660 6.784 13.423 1.00 0.00 WT3 H ATOM 38691 H2 TIP3 1970 1.944 -10.031 15.558 1.00 0.00 WT3 H ATOM 38692 OH2 TIP3 1971 -1.904 5.741 -2.508 1.00 0.00 WT3 O ATOM 38693 H1 TIP3 1971 -3.232 -5.448 4.752 1.00 0.00 WT3 H ATOM 38694 H2 TIP3 1971 5.044 -8.484 11.401 1.00 0.00 WT3 H ATOM 38695 OH2 TIP3 1973 -0.305 -3.649 -3.803 1.00 0.00 WT3 O ATOM 38696 H1 TIP3 1973 -5.806 -3.937 -27.329 1.00 0.00 WT3 H ATOM 38697 H2 TIP3 1973 -2.909 -12.776 36.894 1.00 0.00 WT3 H ATOM 38698 OH2 TIP3 1974 -3.839 5.658 4.651 1.00 0.00 WT3 O ATOM 38699 H1 TIP3 1974 -12.283 15.561 5.015 1.00 0.00 WT3 H ATOM 38700 H2 TIP3 1974 -6.713 8.805 4.813 1.00 0.00 WT3 H ATOM 38701 OH2 TIP3 1977 -0.273 4.043 -5.732 1.00 0.00 WT3 O ATOM 38702 H1 TIP3 1977 -7.873 10.046 -13.908 1.00 0.00 WT3 H ATOM 38703 H2 TIP3 1977 11.883 1.439 -10.351 1.00 0.00 WT3 H ATOM 38704 OH2 TIP3 1982 2.633 -8.782 -3.882 1.00 0.00 WT3 O ATOM 38705 H1 TIP3 1982 10.637 -6.372 -11.535 1.00 0.00 WT3 H ATOM 38706 H2 TIP3 1982 -3.729 -18.495 -11.997 1.00 0.00 WT3 H ATOM 38707 OH2 TIP3 1983 -4.646 -2.768 1.926 1.00 0.00 WT3 O ATOM 38708 H1 TIP3 1983 -27.647 6.341 24.407 1.00 0.00 WT3 H ATOM 38709 H2 TIP3 1983 -12.937 2.487 5.086 1.00 0.00 WT3 H ATOM 38710 OH2 TIP3 1987 -0.884 -2.625 7.791 1.00 0.00 WT3 O ATOM 38711 H1 TIP3 1987 9.896 5.741 1.476 1.00 0.00 WT3 H ATOM 38712 H2 TIP3 1987 4.536 0.039 -4.576 1.00 0.00 WT3 H ATOM 38713 OH2 TIP3 1988 4.476 -2.619 10.081 1.00 0.00 WT3 O ATOM 38714 H1 TIP3 1988 -3.844 8.787 -0.078 1.00 0.00 WT3 H ATOM 38715 H2 TIP3 1988 -21.637 22.130 -7.824 1.00 0.00 WT3 H ATOM 38716 OH2 TIP3 1991 1.889 -4.182 -2.521 1.00 0.00 WT3 O ATOM 38717 H1 TIP3 1991 12.058 -10.333 11.035 1.00 0.00 WT3 H ATOM 38718 H2 TIP3 1991 -6.538 -19.168 -8.581 1.00 0.00 WT3 H ATOM 38719 OH2 TIP3 1993 3.003 0.664 0.365 1.00 0.00 WT3 O ATOM 38720 H1 TIP3 1993 2.791 0.122 -3.404 1.00 0.00 WT3 H ATOM 38721 H2 TIP3 1993 -7.384 1.102 7.612 1.00 0.00 WT3 H ATOM 38722 OH2 TIP3 1994 -5.124 0.428 -3.232 1.00 0.00 WT3 O ATOM 38723 H1 TIP3 1994 0.634 -13.074 -0.003 1.00 0.00 WT3 H ATOM 38724 H2 TIP3 1994 -3.622 12.289 -10.414 1.00 0.00 WT3 H ATOM 38725 OH2 TIP3 1995 -7.403 4.648 0.989 1.00 0.00 WT3 O ATOM 38726 H1 TIP3 1995 -9.791 3.060 9.224 1.00 0.00 WT3 H ATOM 38727 H2 TIP3 1995 -4.338 -0.585 -3.272 1.00 0.00 WT3 H ATOM 38728 OH2 TIP3 1997 -7.144 5.771 1.616 1.00 0.00 WT3 O ATOM 38729 H1 TIP3 1997 -20.913 -4.861 3.791 1.00 0.00 WT3 H ATOM 38730 H2 TIP3 1997 -15.163 22.894 2.034 1.00 0.00 WT3 H ATOM 38731 OH2 TIP3 2002 1.609 -3.999 0.636 1.00 0.00 WT3 O ATOM 38732 H1 TIP3 2002 -14.539 17.031 -5.137 1.00 0.00 WT3 H ATOM 38733 H2 TIP3 2002 -13.292 19.245 -8.618 1.00 0.00 WT3 H ATOM 38734 OH2 TIP3 2003 5.375 0.116 -6.033 1.00 0.00 WT3 O ATOM 38735 H1 TIP3 2003 -10.295 -5.207 -25.797 1.00 0.00 WT3 H ATOM 38736 H2 TIP3 2003 24.708 -14.212 -5.178 1.00 0.00 WT3 H ATOM 38737 OH2 TIP3 2008 0.510 7.945 -2.897 1.00 0.00 WT3 O ATOM 38738 H1 TIP3 2008 21.325 -19.309 6.766 1.00 0.00 WT3 H ATOM 38739 H2 TIP3 2008 11.655 -9.329 -2.460 1.00 0.00 WT3 H ATOM 38740 OH2 TIP3 2009 4.951 -2.803 2.353 1.00 0.00 WT3 O ATOM 38741 H1 TIP3 2009 3.279 11.658 22.457 1.00 0.00 WT3 H ATOM 38742 H2 TIP3 2009 16.000 -9.612 14.322 1.00 0.00 WT3 H ATOM 38743 OH2 TIP3 2012 4.356 -0.484 -1.814 1.00 0.00 WT3 O ATOM 38744 H1 TIP3 2012 5.239 5.244 4.612 1.00 0.00 WT3 H ATOM 38745 H2 TIP3 2012 1.559 8.706 11.287 1.00 0.00 WT3 H ATOM 38746 OH2 TIP3 2020 -4.205 3.615 3.799 1.00 0.00 WT3 O ATOM 38747 H1 TIP3 2020 -13.402 -1.536 0.135 1.00 0.00 WT3 H ATOM 38748 H2 TIP3 2020 -1.039 9.307 -4.837 1.00 0.00 WT3 H ATOM 38749 OH2 TIP3 2021 -1.967 -5.761 2.396 1.00 0.00 WT3 O ATOM 38750 H1 TIP3 2021 -6.167 -0.241 3.768 1.00 0.00 WT3 H ATOM 38751 H2 TIP3 2021 -3.871 -0.344 7.323 1.00 0.00 WT3 H ATOM 38752 OH2 TIP3 2028 -7.504 0.586 1.904 1.00 0.00 WT3 O ATOM 38753 H1 TIP3 2028 3.452 0.115 -3.105 1.00 0.00 WT3 H ATOM 38754 H2 TIP3 2028 5.394 0.952 -2.636 1.00 0.00 WT3 H ATOM 38755 OH2 TIP3 2035 1.254 4.726 2.068 1.00 0.00 WT3 O ATOM 38756 H1 TIP3 2035 -2.995 4.562 3.073 1.00 0.00 WT3 H ATOM 38757 H2 TIP3 2035 29.323 -20.970 -3.946 1.00 0.00 WT3 H ATOM 38758 OH2 TIP3 2049 1.728 2.232 -3.400 1.00 0.00 WT3 O ATOM 38759 H1 TIP3 2049 2.128 5.926 -0.678 1.00 0.00 WT3 H ATOM 38760 H2 TIP3 2049 2.875 -2.194 -1.715 1.00 0.00 WT3 H ATOM 38761 OH2 TIP3 2105 -3.476 0.261 0.964 1.00 0.00 WT3 O ATOM 38762 H1 TIP3 2105 6.833 5.356 20.706 1.00 0.00 WT3 H ATOM 38763 H2 TIP3 2105 -4.838 1.998 5.543 1.00 0.00 WT3 H ATOM 38764 OH2 TIP3 2123 -4.097 -1.141 -10.008 1.00 0.00 WT3 O ATOM 38765 H1 TIP3 2123 -1.551 6.689 -8.608 1.00 0.00 WT3 H ATOM 38766 H2 TIP3 2123 -12.093 17.027 -3.151 1.00 0.00 WT3 H ATOM 38767 OH2 TIP3 2127 6.148 -0.907 3.404 1.00 0.00 WT3 O ATOM 38768 H1 TIP3 2127 12.697 -9.243 -3.777 1.00 0.00 WT3 H ATOM 38769 H2 TIP3 2127 10.308 -7.557 1.496 1.00 0.00 WT3 H ATOM 38770 OH2 TIP3 2133 1.002 -0.859 0.054 1.00 0.00 WT3 O ATOM 38771 H1 TIP3 2133 -11.964 -4.462 20.018 1.00 0.00 WT3 H ATOM 38772 H2 TIP3 2133 -10.053 -10.559 11.743 1.00 0.00 WT3 H ATOM 38773 OH2 TIP3 2145 -0.086 2.222 2.378 1.00 0.00 WT3 O ATOM 38774 H1 TIP3 2145 -0.518 0.404 1.125 1.00 0.00 WT3 H ATOM 38775 H2 TIP3 2145 -6.433 -14.380 12.270 1.00 0.00 WT3 H ATOM 38776 OH2 TIP3 2147 -0.136 4.788 0.270 1.00 0.00 WT3 O ATOM 38777 H1 TIP3 2147 1.718 2.986 -4.833 1.00 0.00 WT3 H ATOM 38778 H2 TIP3 2147 -2.722 3.163 1.174 1.00 0.00 WT3 H ATOM 38779 OH2 TIP3 2151 2.951 1.468 -3.794 1.00 0.00 WT3 O ATOM 38780 H1 TIP3 2151 2.510 -1.220 -7.611 1.00 0.00 WT3 H ATOM 38781 H2 TIP3 2151 -6.710 -12.930 0.564 1.00 0.00 WT3 H ATOM 38782 OH2 TIP3 2163 0.737 5.920 -8.619 1.00 0.00 WT3 O ATOM 38783 H1 TIP3 2163 4.736 -13.347 14.732 1.00 0.00 WT3 H ATOM 38784 H2 TIP3 2163 -10.644 17.276 -2.967 1.00 0.00 WT3 H ATOM 38785 OH2 TIP3 2165 -3.252 10.728 4.093 1.00 0.00 WT3 O ATOM 38786 H1 TIP3 2165 0.619 0.494 15.208 1.00 0.00 WT3 H ATOM 38787 H2 TIP3 2165 14.248 20.837 28.653 1.00 0.00 WT3 H ATOM 38788 OH2 TIP3 2167 3.726 5.188 3.357 1.00 0.00 WT3 O ATOM 38789 H1 TIP3 2167 9.848 16.947 -1.263 1.00 0.00 WT3 H ATOM 38790 H2 TIP3 2167 4.487 -5.154 17.295 1.00 0.00 WT3 H ATOM 38791 OH2 TIP3 2172 -0.364 -0.043 1.209 1.00 0.00 WT3 O ATOM 38792 H1 TIP3 2172 -0.581 -5.187 3.054 1.00 0.00 WT3 H ATOM 38793 H2 TIP3 2172 4.196 6.851 -3.906 1.00 0.00 WT3 H ATOM 38794 OH2 TIP3 2180 -6.343 5.046 -2.830 1.00 0.00 WT3 O ATOM 38795 H1 TIP3 2180 5.034 16.945 6.933 1.00 0.00 WT3 H ATOM 38796 H2 TIP3 2180 -11.920 9.703 3.390 1.00 0.00 WT3 H ATOM 38797 OH2 TIP3 2184 5.348 -0.844 1.807 1.00 0.00 WT3 O ATOM 38798 H1 TIP3 2184 -0.405 1.762 6.944 1.00 0.00 WT3 H ATOM 38799 H2 TIP3 2184 2.462 -5.615 7.212 1.00 0.00 WT3 H ATOM 38800 OH2 TIP3 2185 -1.290 -6.156 -0.885 1.00 0.00 WT3 O ATOM 38801 H1 TIP3 2185 23.535 8.062 11.288 1.00 0.00 WT3 H ATOM 38802 H2 TIP3 2185 -18.538 14.215 11.515 1.00 0.00 WT3 H ATOM 38803 OH2 TIP3 2186 2.512 0.719 -2.241 1.00 0.00 WT3 O ATOM 38804 H1 TIP3 2186 22.194 22.362 -4.675 1.00 0.00 WT3 H ATOM 38805 H2 TIP3 2186 -11.101 10.114 9.283 1.00 0.00 WT3 H ATOM 38806 OH2 TIP3 2187 -4.846 0.914 0.405 1.00 0.00 WT3 O ATOM 38807 H1 TIP3 2187 -11.362 6.003 -2.425 1.00 0.00 WT3 H ATOM 38808 H2 TIP3 2187 4.741 -1.897 -6.658 1.00 0.00 WT3 H ATOM 38809 OH2 TIP3 2197 1.192 -6.277 -3.510 1.00 0.00 WT3 O ATOM 38810 H1 TIP3 2197 25.041 -17.091 -22.861 1.00 0.00 WT3 H ATOM 38811 H2 TIP3 2197 4.924 4.639 1.489 1.00 0.00 WT3 H ATOM 38812 OH2 TIP3 2198 -3.577 -1.245 8.007 1.00 0.00 WT3 O ATOM 38813 H1 TIP3 2198 -1.647 -2.701 2.917 1.00 0.00 WT3 H ATOM 38814 H2 TIP3 2198 -27.480 18.028 3.117 1.00 0.00 WT3 H ATOM 38815 OH2 TIP3 2200 4.001 2.554 -0.930 1.00 0.00 WT3 O ATOM 38816 H1 TIP3 2200 12.418 8.904 -11.229 1.00 0.00 WT3 H ATOM 38817 H2 TIP3 2200 -24.447 16.500 -1.923 1.00 0.00 WT3 H ATOM 38818 OH2 TIP3 2201 4.824 6.724 0.443 1.00 0.00 WT3 O ATOM 38819 H1 TIP3 2201 0.980 -35.487 -2.687 1.00 0.00 WT3 H ATOM 38820 H2 TIP3 2201 -1.379 -2.107 -15.593 1.00 0.00 WT3 H ATOM 38821 OH2 TIP3 2203 0.546 0.102 2.129 1.00 0.00 WT3 O ATOM 38822 H1 TIP3 2203 6.828 -15.771 -3.997 1.00 0.00 WT3 H ATOM 38823 H2 TIP3 2203 -3.105 -3.315 12.690 1.00 0.00 WT3 H ATOM 38824 OH2 TIP3 2208 3.070 -5.012 2.971 1.00 0.00 WT3 O ATOM 38825 H1 TIP3 2208 5.536 -8.475 1.602 1.00 0.00 WT3 H ATOM 38826 H2 TIP3 2208 8.092 12.028 -3.619 1.00 0.00 WT3 H ATOM 38827 OH2 TIP3 2211 0.013 2.212 -0.463 1.00 0.00 WT3 O ATOM 38828 H1 TIP3 2211 -4.777 -0.288 -4.139 1.00 0.00 WT3 H ATOM 38829 H2 TIP3 2211 15.417 11.214 23.603 1.00 0.00 WT3 H ATOM 38830 OH2 TIP3 2212 1.745 5.230 2.851 1.00 0.00 WT3 O ATOM 38831 H1 TIP3 2212 3.248 8.040 0.170 1.00 0.00 WT3 H ATOM 38832 H2 TIP3 2212 1.194 19.063 5.444 1.00 0.00 WT3 H ATOM 38833 OH2 TIP3 2213 2.349 -1.014 1.430 1.00 0.00 WT3 O ATOM 38834 H1 TIP3 2213 -6.893 7.291 -4.591 1.00 0.00 WT3 H ATOM 38835 H2 TIP3 2213 11.010 15.553 3.817 1.00 0.00 WT3 H ATOM 38836 OH2 TIP3 2217 -1.383 -3.399 -3.597 1.00 0.00 WT3 O ATOM 38837 H1 TIP3 2217 -16.133 19.182 -4.001 1.00 0.00 WT3 H ATOM 38838 H2 TIP3 2217 18.760 11.602 6.671 1.00 0.00 WT3 H ATOM 38839 OH2 TIP3 2219 2.781 -0.634 -6.952 1.00 0.00 WT3 O ATOM 38840 H1 TIP3 2219 6.307 -3.450 -23.896 1.00 0.00 WT3 H ATOM 38841 H2 TIP3 2219 11.513 -0.507 0.729 1.00 0.00 WT3 H ATOM 38842 OH2 TIP3 2227 0.536 -1.975 6.420 1.00 0.00 WT3 O ATOM 38843 H1 TIP3 2227 -0.855 4.993 -17.576 1.00 0.00 WT3 H ATOM 38844 H2 TIP3 2227 5.029 -5.723 3.654 1.00 0.00 WT3 H ATOM 38845 OH2 TIP3 2229 -3.249 -6.893 0.996 1.00 0.00 WT3 O ATOM 38846 H1 TIP3 2229 -13.983 11.972 9.167 1.00 0.00 WT3 H ATOM 38847 H2 TIP3 2229 -6.217 4.276 -0.585 1.00 0.00 WT3 H ATOM 38848 OH2 TIP3 2231 3.733 -3.624 -3.900 1.00 0.00 WT3 O ATOM 38849 H1 TIP3 2231 7.272 -2.598 -10.782 1.00 0.00 WT3 H ATOM 38850 H2 TIP3 2231 9.562 -2.608 -13.782 1.00 0.00 WT3 H ATOM 38851 OH2 TIP3 2232 -4.624 -1.890 -1.336 1.00 0.00 WT3 O ATOM 38852 H1 TIP3 2232 -14.238 -35.224 -3.747 1.00 0.00 WT3 H ATOM 38853 H2 TIP3 2232 -9.319 7.317 6.463 1.00 0.00 WT3 H ATOM 38854 OH2 TIP3 2234 -1.427 -1.540 -1.233 1.00 0.00 WT3 O ATOM 38855 H1 TIP3 2234 8.631 22.828 -13.119 1.00 0.00 WT3 H ATOM 38856 H2 TIP3 2234 8.790 -15.658 -23.069 1.00 0.00 WT3 H ATOM 38857 OH2 TIP3 2236 1.717 -0.624 1.225 1.00 0.00 WT3 O ATOM 38858 H1 TIP3 2236 -3.858 3.602 2.956 1.00 0.00 WT3 H ATOM 38859 H2 TIP3 2236 19.882 -14.767 12.814 1.00 0.00 WT3 H ATOM 38860 OH2 TIP3 2238 -0.518 2.910 -3.106 1.00 0.00 WT3 O ATOM 38861 H1 TIP3 2238 22.609 9.965 10.287 1.00 0.00 WT3 H ATOM 38862 H2 TIP3 2238 -3.820 -0.258 15.518 1.00 0.00 WT3 H ATOM 38863 OH2 TIP3 2240 3.428 -7.969 0.812 1.00 0.00 WT3 O ATOM 38864 H1 TIP3 2240 8.824 14.726 4.402 1.00 0.00 WT3 H ATOM 38865 H2 TIP3 2240 -2.344 -28.991 -3.828 1.00 0.00 WT3 H ATOM 38866 OH2 TIP3 2241 2.612 5.177 0.994 1.00 0.00 WT3 O ATOM 38867 H1 TIP3 2241 7.716 13.440 7.962 1.00 0.00 WT3 H ATOM 38868 H2 TIP3 2241 -9.976 12.959 4.218 1.00 0.00 WT3 H ATOM 38869 OH2 TIP3 2242 3.670 -2.886 -0.715 1.00 0.00 WT3 O ATOM 38870 H1 TIP3 2242 -11.899 4.903 9.949 1.00 0.00 WT3 H ATOM 38871 H2 TIP3 2242 -12.377 3.155 3.899 1.00 0.00 WT3 H ATOM 38872 OH2 TIP3 2244 1.222 3.938 -5.837 1.00 0.00 WT3 O ATOM 38873 H1 TIP3 2244 -0.898 -2.725 -8.323 1.00 0.00 WT3 H ATOM 38874 H2 TIP3 2244 0.812 11.014 -7.061 1.00 0.00 WT3 H ATOM 38875 OH2 TIP3 2247 3.412 -8.316 -4.859 1.00 0.00 WT3 O ATOM 38876 H1 TIP3 2247 -2.522 6.901 0.330 1.00 0.00 WT3 H ATOM 38877 H2 TIP3 2247 -9.684 -13.024 9.607 1.00 0.00 WT3 H ATOM 38878 OH2 TIP3 2248 -2.303 -0.764 2.629 1.00 0.00 WT3 O ATOM 38879 H1 TIP3 2248 -15.899 -25.272 4.469 1.00 0.00 WT3 H ATOM 38880 H2 TIP3 2248 -1.503 16.266 9.585 1.00 0.00 WT3 H ATOM 38881 OH2 TIP3 2249 5.888 -4.078 0.910 1.00 0.00 WT3 O ATOM 38882 H1 TIP3 2249 13.418 6.834 7.765 1.00 0.00 WT3 H ATOM 38883 H2 TIP3 2249 1.862 -11.179 -3.373 1.00 0.00 WT3 H ATOM 38884 OH2 TIP3 2250 6.002 4.569 -6.304 1.00 0.00 WT3 O ATOM 38885 H1 TIP3 2250 8.040 2.369 -6.721 1.00 0.00 WT3 H ATOM 38886 H2 TIP3 2250 8.664 1.377 -4.876 1.00 0.00 WT3 H ATOM 38887 OH2 TIP3 2251 -3.884 -3.294 1.078 1.00 0.00 WT3 O ATOM 38888 H1 TIP3 2251 2.371 -6.726 -8.390 1.00 0.00 WT3 H ATOM 38889 H2 TIP3 2251 -13.172 -9.436 2.129 1.00 0.00 WT3 H ATOM 38890 OH2 TIP3 2253 3.799 -5.469 -2.681 1.00 0.00 WT3 O ATOM 38891 H1 TIP3 2253 0.943 -24.737 -1.429 1.00 0.00 WT3 H ATOM 38892 H2 TIP3 2253 -12.298 -1.578 4.860 1.00 0.00 WT3 H ATOM 38893 OH2 TIP3 2254 -0.624 3.116 2.897 1.00 0.00 WT3 O ATOM 38894 H1 TIP3 2254 0.491 19.608 24.229 1.00 0.00 WT3 H ATOM 38895 H2 TIP3 2254 -1.221 9.728 6.408 1.00 0.00 WT3 H ATOM 38896 OH2 TIP3 2256 1.143 -1.272 5.161 1.00 0.00 WT3 O ATOM 38897 H1 TIP3 2256 12.502 18.338 4.942 1.00 0.00 WT3 H ATOM 38898 H2 TIP3 2256 4.895 8.356 5.121 1.00 0.00 WT3 H ATOM 38899 OH2 TIP3 2257 -4.225 -1.748 -0.627 1.00 0.00 WT3 O ATOM 38900 H1 TIP3 2257 12.633 -2.506 -5.742 1.00 0.00 WT3 H ATOM 38901 H2 TIP3 2257 -10.120 -5.753 5.050 1.00 0.00 WT3 H ATOM 38902 OH2 TIP3 2260 -0.949 3.897 -0.972 1.00 0.00 WT3 O ATOM 38903 H1 TIP3 2260 -10.632 12.915 -5.232 1.00 0.00 WT3 H ATOM 38904 H2 TIP3 2260 -13.567 10.084 -3.668 1.00 0.00 WT3 H ATOM 38905 OH2 TIP3 2261 -3.264 3.131 -1.703 1.00 0.00 WT3 O ATOM 38906 H1 TIP3 2261 5.107 11.304 -3.405 1.00 0.00 WT3 H ATOM 38907 H2 TIP3 2261 1.185 13.332 9.758 1.00 0.00 WT3 H ATOM 38908 OH2 TIP3 2263 -0.066 -1.653 3.390 1.00 0.00 WT3 O ATOM 38909 H1 TIP3 2263 9.070 -0.691 -2.952 1.00 0.00 WT3 H ATOM 38910 H2 TIP3 2263 0.785 -1.384 2.480 1.00 0.00 WT3 H ATOM 38911 OH2 TIP3 2264 -4.747 2.764 0.254 1.00 0.00 WT3 O ATOM 38912 H1 TIP3 2264 22.325 10.251 12.670 1.00 0.00 WT3 H ATOM 38913 H2 TIP3 2264 25.211 -18.442 -21.077 1.00 0.00 WT3 H ATOM 38914 OH2 TIP3 2265 2.079 -7.483 -0.303 1.00 0.00 WT3 O ATOM 38915 H1 TIP3 2265 6.359 2.448 6.909 1.00 0.00 WT3 H ATOM 38916 H2 TIP3 2265 -16.638 1.204 1.618 1.00 0.00 WT3 H ATOM 38917 OH2 TIP3 2268 3.420 -0.772 -5.487 1.00 0.00 WT3 O ATOM 38918 H1 TIP3 2268 4.436 0.504 -3.648 1.00 0.00 WT3 H ATOM 38919 H2 TIP3 2268 6.762 3.363 -2.634 1.00 0.00 WT3 H ATOM 38920 OH2 TIP3 2269 0.112 -2.429 4.295 1.00 0.00 WT3 O ATOM 38921 H1 TIP3 2269 1.908 -4.630 2.793 1.00 0.00 WT3 H ATOM 38922 H2 TIP3 2269 9.229 -8.538 -8.934 1.00 0.00 WT3 H ATOM 38923 OH2 TIP3 2270 3.158 3.407 1.065 1.00 0.00 WT3 O ATOM 38924 H1 TIP3 2270 7.208 -3.398 9.579 1.00 0.00 WT3 H ATOM 38925 H2 TIP3 2270 2.928 0.367 13.596 1.00 0.00 WT3 H ATOM 38926 OH2 TIP3 2271 -2.821 -5.849 1.280 1.00 0.00 WT3 O ATOM 38927 H1 TIP3 2271 -0.873 -8.139 1.729 1.00 0.00 WT3 H ATOM 38928 H2 TIP3 2271 4.157 -15.686 2.983 1.00 0.00 WT3 H ATOM 38929 OH2 TIP3 2272 -1.250 7.851 5.488 1.00 0.00 WT3 O ATOM 38930 H1 TIP3 2272 -1.796 25.769 16.438 1.00 0.00 WT3 H ATOM 38931 H2 TIP3 2272 -4.971 24.096 5.389 1.00 0.00 WT3 H ATOM 38932 OH2 TIP3 2273 2.512 -3.300 1.121 1.00 0.00 WT3 O ATOM 38933 H1 TIP3 2273 -19.024 32.038 9.175 1.00 0.00 WT3 H ATOM 38934 H2 TIP3 2273 4.177 -16.678 8.623 1.00 0.00 WT3 H ATOM 38935 OH2 TIP3 2274 9.868 0.253 1.023 1.00 0.00 WT3 O ATOM 38936 H1 TIP3 2274 -2.413 -2.388 6.344 1.00 0.00 WT3 H ATOM 38937 H2 TIP3 2274 15.971 12.974 -16.782 1.00 0.00 WT3 H ATOM 38938 OH2 TIP3 2275 3.033 -3.038 -2.974 1.00 0.00 WT3 O ATOM 38939 H1 TIP3 2275 5.565 -4.188 -6.357 1.00 0.00 WT3 H ATOM 38940 H2 TIP3 2275 20.602 -4.810 3.258 1.00 0.00 WT3 H ATOM 38941 OH2 TIP3 2277 -8.743 2.840 1.022 1.00 0.00 WT3 O ATOM 38942 H1 TIP3 2277 -0.080 14.480 10.510 1.00 0.00 WT3 H ATOM 38943 H2 TIP3 2277 -24.260 11.389 2.698 1.00 0.00 WT3 H ATOM 38944 OH2 TIP3 2279 7.073 5.472 5.997 1.00 0.00 WT3 O ATOM 38945 H1 TIP3 2279 -8.976 -3.963 5.288 1.00 0.00 WT3 H ATOM 38946 H2 TIP3 2279 23.973 -16.200 -11.697 1.00 0.00 WT3 H ATOM 38947 OH2 TIP3 2280 -7.045 2.053 -4.587 1.00 0.00 WT3 O ATOM 38948 H1 TIP3 2280 10.104 3.644 -11.172 1.00 0.00 WT3 H ATOM 38949 H2 TIP3 2280 -4.386 6.742 14.366 1.00 0.00 WT3 H ATOM 38950 OH2 TIP3 2281 3.550 1.164 -0.164 1.00 0.00 WT3 O ATOM 38951 H1 TIP3 2281 9.244 -3.352 -1.588 1.00 0.00 WT3 H ATOM 38952 H2 TIP3 2281 -7.262 -15.998 0.707 1.00 0.00 WT3 H ATOM 38953 OH2 TIP3 2282 -1.467 -6.084 -4.472 1.00 0.00 WT3 O ATOM 38954 H1 TIP3 2282 3.218 -10.874 30.019 1.00 0.00 WT3 H ATOM 38955 H2 TIP3 2282 -8.201 23.959 -7.461 1.00 0.00 WT3 H ATOM 38956 OH2 TIP3 2283 0.614 3.224 0.176 1.00 0.00 WT3 O ATOM 38957 H1 TIP3 2283 1.493 3.422 -14.989 1.00 0.00 WT3 H ATOM 38958 H2 TIP3 2283 11.501 -4.040 4.563 1.00 0.00 WT3 H ATOM 38959 OH2 TIP3 2284 -1.794 -0.793 -7.083 1.00 0.00 WT3 O ATOM 38960 H1 TIP3 2284 5.826 5.798 -10.098 1.00 0.00 WT3 H ATOM 38961 H2 TIP3 2284 -5.877 -5.295 -9.888 1.00 0.00 WT3 H ATOM 38962 OH2 TIP3 2286 -1.646 -0.682 -7.275 1.00 0.00 WT3 O ATOM 38963 H1 TIP3 2286 -1.053 -13.428 -20.621 1.00 0.00 WT3 H ATOM 38964 H2 TIP3 2286 -0.985 -12.723 -20.675 1.00 0.00 WT3 H ATOM 38965 OH2 TIP3 2287 2.123 -2.049 -0.672 1.00 0.00 WT3 O ATOM 38966 H1 TIP3 2287 3.597 -3.957 -0.254 1.00 0.00 WT3 H ATOM 38967 H2 TIP3 2287 10.707 -46.377 -6.567 1.00 0.00 WT3 H ATOM 38968 OH2 TIP3 2288 -2.214 -2.753 1.168 1.00 0.00 WT3 O ATOM 38969 H1 TIP3 2288 -7.002 2.560 13.514 1.00 0.00 WT3 H ATOM 38970 H2 TIP3 2288 -2.402 -18.484 -2.620 1.00 0.00 WT3 H ATOM 38971 OH2 TIP3 2289 4.408 6.623 0.834 1.00 0.00 WT3 O ATOM 38972 H1 TIP3 2289 -9.886 11.113 19.389 1.00 0.00 WT3 H ATOM 38973 H2 TIP3 2289 1.688 4.325 11.043 1.00 0.00 WT3 H ATOM 38974 OH2 TIP3 2291 -1.343 0.412 0.824 1.00 0.00 WT3 O ATOM 38975 H1 TIP3 2291 -11.195 -15.893 -12.336 1.00 0.00 WT3 H ATOM 38976 H2 TIP3 2291 -5.347 2.724 3.316 1.00 0.00 WT3 H ATOM 38977 OH2 TIP3 2292 -1.356 -3.328 -1.589 1.00 0.00 WT3 O ATOM 38978 H1 TIP3 2292 -2.244 6.825 -14.829 1.00 0.00 WT3 H ATOM 38979 H2 TIP3 2292 23.867 -12.367 -19.899 1.00 0.00 WT3 H ATOM 38980 OH2 TIP3 2293 3.433 -3.296 5.759 1.00 0.00 WT3 O ATOM 38981 H1 TIP3 2293 14.142 -18.467 10.578 1.00 0.00 WT3 H ATOM 38982 H2 TIP3 2293 4.077 0.065 9.883 1.00 0.00 WT3 H ATOM 38983 OH2 TIP3 2294 -5.203 -3.813 -1.850 1.00 0.00 WT3 O ATOM 38984 H1 TIP3 2294 1.065 -3.667 -3.389 1.00 0.00 WT3 H ATOM 38985 H2 TIP3 2294 -4.186 -13.828 -11.139 1.00 0.00 WT3 H ATOM 38986 OH2 TIP3 2295 -1.076 2.547 -0.272 1.00 0.00 WT3 O ATOM 38987 H1 TIP3 2295 -31.776 -11.762 2.322 1.00 0.00 WT3 H ATOM 38988 H2 TIP3 2295 -4.853 -25.948 -15.572 1.00 0.00 WT3 H ATOM 38989 OH2 TIP3 2296 5.083 3.397 0.732 1.00 0.00 WT3 O ATOM 38990 H1 TIP3 2296 2.352 -14.035 18.600 1.00 0.00 WT3 H ATOM 38991 H2 TIP3 2296 2.961 14.284 -9.262 1.00 0.00 WT3 H ATOM 38992 OH2 TIP3 2297 0.085 -3.467 -4.371 1.00 0.00 WT3 O ATOM 38993 H1 TIP3 2297 -1.002 -14.105 -3.141 1.00 0.00 WT3 H ATOM 38994 H2 TIP3 2297 2.586 11.580 -5.303 1.00 0.00 WT3 H ATOM 38995 OH2 TIP3 2299 -8.330 4.290 0.891 1.00 0.00 WT3 O ATOM 38996 H1 TIP3 2299 -10.326 -6.080 13.199 1.00 0.00 WT3 H ATOM 38997 H2 TIP3 2299 -9.385 4.378 -1.973 1.00 0.00 WT3 H ATOM 38998 OH2 TIP3 2300 -1.416 -0.415 -0.599 1.00 0.00 WT3 O ATOM 38999 H1 TIP3 2300 -0.813 -0.642 -5.625 1.00 0.00 WT3 H ATOM 39000 H2 TIP3 2300 25.406 -19.793 1.720 1.00 0.00 WT3 H ATOM 39001 OH2 TIP3 2301 -1.146 5.259 -2.276 1.00 0.00 WT3 O ATOM 39002 H1 TIP3 2301 -4.925 -3.499 -7.937 1.00 0.00 WT3 H ATOM 39003 H2 TIP3 2301 -0.886 -17.028 -11.572 1.00 0.00 WT3 H ATOM 39004 OH2 TIP3 2302 -0.030 -6.810 -1.235 1.00 0.00 WT3 O ATOM 39005 H1 TIP3 2302 -5.534 18.538 -10.490 1.00 0.00 WT3 H ATOM 39006 H2 TIP3 2302 -2.322 10.284 1.719 1.00 0.00 WT3 H ATOM 39007 OH2 TIP3 2303 5.873 1.543 2.202 1.00 0.00 WT3 O ATOM 39008 H1 TIP3 2303 2.851 15.628 -7.662 1.00 0.00 WT3 H ATOM 39009 H2 TIP3 2303 15.269 -6.020 1.882 1.00 0.00 WT3 H ATOM 39010 OH2 TIP3 2304 2.287 1.488 -0.743 1.00 0.00 WT3 O ATOM 39011 H1 TIP3 2304 -6.685 -4.195 -0.007 1.00 0.00 WT3 H ATOM 39012 H2 TIP3 2304 14.785 -1.427 9.272 1.00 0.00 WT3 H ATOM 39013 OH2 TIP3 2306 0.048 -3.604 0.216 1.00 0.00 WT3 O ATOM 39014 H1 TIP3 2306 -0.800 0.230 -26.054 1.00 0.00 WT3 H ATOM 39015 H2 TIP3 2306 2.226 -11.891 -1.607 1.00 0.00 WT3 H ATOM 39016 OH2 TIP3 2307 1.912 -5.776 -3.217 1.00 0.00 WT3 O ATOM 39017 H1 TIP3 2307 5.186 17.033 12.670 1.00 0.00 WT3 H ATOM 39018 H2 TIP3 2307 -3.390 -9.060 -4.600 1.00 0.00 WT3 H ATOM 39019 OH2 TIP3 2309 3.904 -4.006 0.831 1.00 0.00 WT3 O ATOM 39020 H1 TIP3 2309 1.476 10.478 8.969 1.00 0.00 WT3 H ATOM 39021 H2 TIP3 2309 -2.717 -17.894 4.673 1.00 0.00 WT3 H ATOM 39022 OH2 TIP3 2310 -0.388 7.070 0.355 1.00 0.00 WT3 O ATOM 39023 H1 TIP3 2310 3.547 14.462 9.112 1.00 0.00 WT3 H ATOM 39024 H2 TIP3 2310 6.210 2.299 1.143 1.00 0.00 WT3 H ATOM 39025 OH2 TIP3 2311 3.251 1.682 -3.707 1.00 0.00 WT3 O ATOM 39026 H1 TIP3 2311 -2.567 5.802 -5.444 1.00 0.00 WT3 H ATOM 39027 H2 TIP3 2311 1.499 2.737 -4.147 1.00 0.00 WT3 H ATOM 39028 OH2 TIP3 2313 -3.772 -1.892 -1.565 1.00 0.00 WT3 O ATOM 39029 H1 TIP3 2313 -14.662 -6.608 -2.565 1.00 0.00 WT3 H ATOM 39030 H2 TIP3 2313 -8.469 -2.362 -2.350 1.00 0.00 WT3 H ATOM 39031 OH2 TIP3 2314 -1.892 -2.369 -0.819 1.00 0.00 WT3 O ATOM 39032 H1 TIP3 2314 5.638 0.599 6.767 1.00 0.00 WT3 H ATOM 39033 H2 TIP3 2314 -5.973 -15.953 4.603 1.00 0.00 WT3 H ATOM 39034 OH2 TIP3 2315 -0.184 4.655 -1.479 1.00 0.00 WT3 O ATOM 39035 H1 TIP3 2315 11.773 15.382 13.113 1.00 0.00 WT3 H ATOM 39036 H2 TIP3 2315 -1.770 -11.601 6.237 1.00 0.00 WT3 H ATOM 39037 OH2 TIP3 2316 -6.451 -2.833 -1.930 1.00 0.00 WT3 O ATOM 39038 H1 TIP3 2316 -4.116 8.154 -7.675 1.00 0.00 WT3 H ATOM 39039 H2 TIP3 2316 -6.901 6.584 -6.523 1.00 0.00 WT3 H ATOM 39040 OH2 TIP3 2317 1.544 -3.610 4.260 1.00 0.00 WT3 O ATOM 39041 H1 TIP3 2317 6.043 9.159 -15.761 1.00 0.00 WT3 H ATOM 39042 H2 TIP3 2317 -3.258 2.979 6.323 1.00 0.00 WT3 H ATOM 39043 OH2 TIP3 2318 4.007 -2.963 -2.137 1.00 0.00 WT3 O ATOM 39044 H1 TIP3 2318 -6.487 -8.752 -4.375 1.00 0.00 WT3 H ATOM 39045 H2 TIP3 2318 6.936 14.269 -8.326 1.00 0.00 WT3 H ATOM 39046 OH2 TIP3 2319 0.034 -0.645 -4.973 1.00 0.00 WT3 O ATOM 39047 H1 TIP3 2319 26.183 26.394 12.340 1.00 0.00 WT3 H ATOM 39048 H2 TIP3 2319 23.804 16.121 -13.686 1.00 0.00 WT3 H ATOM 39049 OH2 TIP3 2320 -4.165 0.307 7.261 1.00 0.00 WT3 O ATOM 39050 H1 TIP3 2320 -8.269 6.945 -8.013 1.00 0.00 WT3 H ATOM 39051 H2 TIP3 2320 -3.768 -23.637 -7.418 1.00 0.00 WT3 H ATOM 39052 OH2 TIP3 2321 -4.538 0.785 0.595 1.00 0.00 WT3 O ATOM 39053 H1 TIP3 2321 12.346 9.610 -17.555 1.00 0.00 WT3 H ATOM 39054 H2 TIP3 2321 7.802 -26.377 -13.646 1.00 0.00 WT3 H ATOM 39055 OH2 TIP3 2322 -0.168 -6.278 6.354 1.00 0.00 WT3 O ATOM 39056 H1 TIP3 2322 1.653 -7.041 2.178 1.00 0.00 WT3 H ATOM 39057 H2 TIP3 2322 -4.305 -4.973 3.344 1.00 0.00 WT3 H ATOM 39058 OH2 TIP3 2324 -3.196 -4.752 -0.639 1.00 0.00 WT3 O ATOM 39059 H1 TIP3 2324 9.972 -15.920 8.396 1.00 0.00 WT3 H ATOM 39060 H2 TIP3 2324 4.999 6.740 19.799 1.00 0.00 WT3 H ATOM 39061 OH2 TIP3 2325 -1.804 -4.258 3.375 1.00 0.00 WT3 O ATOM 39062 H1 TIP3 2325 18.538 -9.359 15.445 1.00 0.00 WT3 H ATOM 39063 H2 TIP3 2325 16.022 -6.555 -18.016 1.00 0.00 WT3 H ATOM 39064 OH2 TIP3 2326 -8.706 0.363 -3.623 1.00 0.00 WT3 O ATOM 39065 H1 TIP3 2326 -25.115 10.485 -5.360 1.00 0.00 WT3 H ATOM 39066 H2 TIP3 2326 -0.900 -4.949 1.133 1.00 0.00 WT3 H ATOM 39067 OH2 TIP3 2327 2.294 -1.889 -1.259 1.00 0.00 WT3 O ATOM 39068 H1 TIP3 2327 1.439 -19.977 -19.395 1.00 0.00 WT3 H ATOM 39069 H2 TIP3 2327 26.813 11.301 -4.208 1.00 0.00 WT3 H ATOM 39070 OH2 TIP3 2328 1.807 2.199 -1.648 1.00 0.00 WT3 O ATOM 39071 H1 TIP3 2328 4.710 8.850 -4.334 1.00 0.00 WT3 H ATOM 39072 H2 TIP3 2328 -1.984 -12.689 13.768 1.00 0.00 WT3 H ATOM 39073 OH2 TIP3 2329 2.188 2.780 0.442 1.00 0.00 WT3 O ATOM 39074 H1 TIP3 2329 12.320 -9.205 12.648 1.00 0.00 WT3 H ATOM 39075 H2 TIP3 2329 -1.775 1.329 -1.713 1.00 0.00 WT3 H ATOM 39076 OH2 TIP3 2330 1.130 1.801 -5.414 1.00 0.00 WT3 O ATOM 39077 H1 TIP3 2330 -20.682 2.354 -1.462 1.00 0.00 WT3 H ATOM 39078 H2 TIP3 2330 8.059 6.111 -9.395 1.00 0.00 WT3 H ATOM 39079 OH2 TIP3 2331 -2.899 -5.620 -1.105 1.00 0.00 WT3 O ATOM 39080 H1 TIP3 2331 3.790 -27.470 -16.544 1.00 0.00 WT3 H ATOM 39081 H2 TIP3 2331 -4.675 3.905 6.516 1.00 0.00 WT3 H ATOM 39082 OH2 TIP3 2332 -2.055 7.827 4.500 1.00 0.00 WT3 O ATOM 39083 H1 TIP3 2332 -4.118 -12.842 -8.536 1.00 0.00 WT3 H ATOM 39084 H2 TIP3 2332 10.203 10.165 16.759 1.00 0.00 WT3 H ATOM 39085 OH2 TIP3 2333 7.328 -3.202 2.945 1.00 0.00 WT3 O ATOM 39086 H1 TIP3 2333 -5.498 -4.039 14.009 1.00 0.00 WT3 H ATOM 39087 H2 TIP3 2333 4.331 14.305 0.839 1.00 0.00 WT3 H ATOM 39088 OH2 TIP3 2334 -5.425 -6.374 -5.216 1.00 0.00 WT3 O ATOM 39089 H1 TIP3 2334 -15.572 -1.849 5.283 1.00 0.00 WT3 H ATOM 39090 H2 TIP3 2334 23.624 -20.371 -25.662 1.00 0.00 WT3 H ATOM 39091 OH2 TIP3 2335 6.940 -4.482 3.232 1.00 0.00 WT3 O ATOM 39092 H1 TIP3 2335 30.485 5.814 8.663 1.00 0.00 WT3 H ATOM 39093 H2 TIP3 2335 13.485 -1.128 5.080 1.00 0.00 WT3 H ATOM 39094 OH2 TIP3 2339 4.420 2.951 1.939 1.00 0.00 WT3 O ATOM 39095 H1 TIP3 2339 2.790 -2.405 -3.356 1.00 0.00 WT3 H ATOM 39096 H2 TIP3 2339 4.354 -0.464 -9.584 1.00 0.00 WT3 H ATOM 39097 OH2 TIP3 2340 3.095 -5.007 -6.025 1.00 0.00 WT3 O ATOM 39098 H1 TIP3 2340 4.142 -2.869 -8.875 1.00 0.00 WT3 H ATOM 39099 H2 TIP3 2340 -1.025 -12.606 6.356 1.00 0.00 WT3 H ATOM 39100 OH2 TIP3 2341 10.410 -1.714 5.171 1.00 0.00 WT3 O ATOM 39101 H1 TIP3 2341 -1.935 6.531 -11.488 1.00 0.00 WT3 H ATOM 39102 H2 TIP3 2341 6.681 2.812 -4.885 1.00 0.00 WT3 H ATOM 39103 OH2 TIP3 2342 -10.056 -6.100 -0.114 1.00 0.00 WT3 O ATOM 39104 H1 TIP3 2342 -10.752 -6.662 -0.494 1.00 0.00 WT3 H ATOM 39105 H2 TIP3 2342 -16.417 -2.181 2.654 1.00 0.00 WT3 H ATOM 39106 OH2 TIP3 2345 -4.668 -0.542 3.799 1.00 0.00 WT3 O ATOM 39107 H1 TIP3 2345 -5.906 -1.811 3.695 1.00 0.00 WT3 H ATOM 39108 H2 TIP3 2345 -5.593 7.464 9.139 1.00 0.00 WT3 H ATOM 39109 OH2 TIP3 2346 4.183 2.310 -3.186 1.00 0.00 WT3 O ATOM 39110 H1 TIP3 2346 6.838 -8.953 4.379 1.00 0.00 WT3 H ATOM 39111 H2 TIP3 2346 5.271 -5.953 4.337 1.00 0.00 WT3 H ATOM 39112 OH2 TIP3 2347 -2.501 2.897 0.957 1.00 0.00 WT3 O ATOM 39113 H1 TIP3 2347 16.204 27.410 -3.137 1.00 0.00 WT3 H ATOM 39114 H2 TIP3 2347 16.183 -11.083 10.355 1.00 0.00 WT3 H ATOM 39115 OH2 TIP3 2348 2.711 -2.339 6.168 1.00 0.00 WT3 O ATOM 39116 H1 TIP3 2348 -0.868 -1.676 -0.964 1.00 0.00 WT3 H ATOM 39117 H2 TIP3 2348 3.130 0.326 -0.239 1.00 0.00 WT3 H ATOM 39118 OH2 TIP3 2349 1.567 4.152 3.901 1.00 0.00 WT3 O ATOM 39119 H1 TIP3 2349 15.125 8.998 -26.165 1.00 0.00 WT3 H ATOM 39120 H2 TIP3 2349 -9.629 11.808 -4.182 1.00 0.00 WT3 H ATOM 39121 OH2 TIP3 2350 -5.614 1.272 2.637 1.00 0.00 WT3 O ATOM 39122 H1 TIP3 2350 16.454 -7.254 7.940 1.00 0.00 WT3 H ATOM 39123 H2 TIP3 2350 -12.665 8.049 17.557 1.00 0.00 WT3 H ATOM 39124 OH2 TIP3 2351 4.430 -0.718 3.545 1.00 0.00 WT3 O ATOM 39125 H1 TIP3 2351 -4.078 -2.129 48.280 1.00 0.00 WT3 H ATOM 39126 H2 TIP3 2351 1.168 -11.140 -0.591 1.00 0.00 WT3 H ATOM 39127 OH2 TIP3 2352 6.024 -2.265 -9.438 1.00 0.00 WT3 O ATOM 39128 H1 TIP3 2352 13.564 -17.246 -18.179 1.00 0.00 WT3 H ATOM 39129 H2 TIP3 2352 2.881 17.943 -9.537 1.00 0.00 WT3 H ATOM 39130 OH2 TIP3 2353 3.745 1.372 -1.065 1.00 0.00 WT3 O ATOM 39131 H1 TIP3 2353 -3.012 11.739 -8.850 1.00 0.00 WT3 H ATOM 39132 H2 TIP3 2353 -3.954 -8.871 -0.928 1.00 0.00 WT3 H ATOM 39133 OH2 TIP3 2355 -0.379 0.322 0.199 1.00 0.00 WT3 O ATOM 39134 H1 TIP3 2355 1.178 2.503 3.445 1.00 0.00 WT3 H ATOM 39135 H2 TIP3 2355 -2.901 4.041 -1.597 1.00 0.00 WT3 H ATOM 39136 OH2 TIP3 2356 -4.415 -1.149 0.251 1.00 0.00 WT3 O ATOM 39137 H1 TIP3 2356 1.229 -11.998 -5.208 1.00 0.00 WT3 H ATOM 39138 H2 TIP3 2356 -16.898 -7.397 -3.344 1.00 0.00 WT3 H ATOM 39139 OH2 TIP3 2357 1.450 -1.670 0.715 1.00 0.00 WT3 O ATOM 39140 H1 TIP3 2357 -11.847 -3.189 -0.800 1.00 0.00 WT3 H ATOM 39141 H2 TIP3 2357 -2.461 -6.088 3.002 1.00 0.00 WT3 H ATOM 39142 OH2 TIP3 2358 -5.259 -2.443 6.457 1.00 0.00 WT3 O ATOM 39143 H1 TIP3 2358 -6.128 -10.833 29.304 1.00 0.00 WT3 H ATOM 39144 H2 TIP3 2358 0.317 -4.235 -0.601 1.00 0.00 WT3 H ATOM 39145 OH2 TIP3 2359 -0.589 -1.260 -1.363 1.00 0.00 WT3 O ATOM 39146 H1 TIP3 2359 -8.231 2.458 9.686 1.00 0.00 WT3 H ATOM 39147 H2 TIP3 2359 2.167 -16.190 6.416 1.00 0.00 WT3 H ATOM 39148 OH2 TIP3 2360 -7.855 -1.694 0.321 1.00 0.00 WT3 O ATOM 39149 H1 TIP3 2360 -18.147 9.999 -1.156 1.00 0.00 WT3 H ATOM 39150 H2 TIP3 2360 -5.261 -3.552 16.428 1.00 0.00 WT3 H ATOM 39151 OH2 TIP3 2361 1.041 8.530 0.325 1.00 0.00 WT3 O ATOM 39152 H1 TIP3 2361 -13.906 -7.618 7.009 1.00 0.00 WT3 H ATOM 39153 H2 TIP3 2361 0.549 10.672 -8.802 1.00 0.00 WT3 H ATOM 39154 OH2 TIP3 2362 -1.140 -1.221 0.520 1.00 0.00 WT3 O ATOM 39155 H1 TIP3 2362 -4.965 3.670 -8.547 1.00 0.00 WT3 H ATOM 39156 H2 TIP3 2362 -0.432 -5.200 9.061 1.00 0.00 WT3 H ATOM 39157 OH2 TIP3 2363 -1.118 5.122 -6.488 1.00 0.00 WT3 O ATOM 39158 H1 TIP3 2363 4.327 -20.346 4.448 1.00 0.00 WT3 H ATOM 39159 H2 TIP3 2363 16.692 17.286 -21.807 1.00 0.00 WT3 H ATOM 39160 OH2 TIP3 2365 1.657 0.390 -0.116 1.00 0.00 WT3 O ATOM 39161 H1 TIP3 2365 2.705 -1.701 -2.329 1.00 0.00 WT3 H ATOM 39162 H2 TIP3 2365 -2.445 -2.356 -2.326 1.00 0.00 WT3 H ATOM 39163 OH2 TIP3 2366 -4.235 0.325 1.908 1.00 0.00 WT3 O ATOM 39164 H1 TIP3 2366 -4.681 -2.963 4.728 1.00 0.00 WT3 H ATOM 39165 H2 TIP3 2366 0.780 -0.144 -4.135 1.00 0.00 WT3 H ATOM 39166 OH2 TIP3 2367 -5.902 -2.812 2.769 1.00 0.00 WT3 O ATOM 39167 H1 TIP3 2367 -2.088 3.826 -5.051 1.00 0.00 WT3 H ATOM 39168 H2 TIP3 2367 -5.550 -1.458 -0.987 1.00 0.00 WT3 H ATOM 39169 OH2 TIP3 2368 -2.692 -4.213 -2.783 1.00 0.00 WT3 O ATOM 39170 H1 TIP3 2368 3.771 -3.482 2.017 1.00 0.00 WT3 H ATOM 39171 H2 TIP3 2368 5.941 -3.251 4.906 1.00 0.00 WT3 H ATOM 39172 OH2 TIP3 2374 -0.886 5.707 -0.532 1.00 0.00 WT3 O ATOM 39173 H1 TIP3 2374 4.628 3.986 8.175 1.00 0.00 WT3 H ATOM 39174 H2 TIP3 2374 2.060 -0.579 -7.875 1.00 0.00 WT3 H ATOM 39175 OH2 TIP3 2375 4.449 -8.528 1.338 1.00 0.00 WT3 O ATOM 39176 H1 TIP3 2375 6.663 3.191 12.398 1.00 0.00 WT3 H ATOM 39177 H2 TIP3 2375 -5.093 1.398 -9.785 1.00 0.00 WT3 H ATOM 39178 OH2 TIP3 2376 2.295 0.518 -3.468 1.00 0.00 WT3 O ATOM 39179 H1 TIP3 2376 -30.857 -1.373 -7.649 1.00 0.00 WT3 H ATOM 39180 H2 TIP3 2376 0.611 -13.371 16.846 1.00 0.00 WT3 H ATOM 39181 OH2 TIP3 2377 1.471 -1.881 2.432 1.00 0.00 WT3 O ATOM 39182 H1 TIP3 2377 17.363 2.146 7.633 1.00 0.00 WT3 H ATOM 39183 H2 TIP3 2377 -30.649 -6.273 -6.621 1.00 0.00 WT3 H ATOM 39184 OH2 TIP3 2379 1.011 -3.128 1.008 1.00 0.00 WT3 O ATOM 39185 H1 TIP3 2379 -10.573 5.288 -18.495 1.00 0.00 WT3 H ATOM 39186 H2 TIP3 2379 15.555 8.934 12.642 1.00 0.00 WT3 H ATOM 39187 OH2 TIP3 2380 0.168 -3.191 5.631 1.00 0.00 WT3 O ATOM 39188 H1 TIP3 2380 2.968 13.801 0.878 1.00 0.00 WT3 H ATOM 39189 H2 TIP3 2380 1.947 -6.792 1.516 1.00 0.00 WT3 H ATOM 39190 OH2 TIP3 2381 -11.063 -4.646 3.101 1.00 0.00 WT3 O ATOM 39191 H1 TIP3 2381 -11.996 -7.136 -1.426 1.00 0.00 WT3 H ATOM 39192 H2 TIP3 2381 -10.354 2.886 11.575 1.00 0.00 WT3 H ATOM 39193 OH2 TIP3 2384 7.355 1.629 -6.521 1.00 0.00 WT3 O ATOM 39194 H1 TIP3 2384 10.541 5.780 5.980 1.00 0.00 WT3 H ATOM 39195 H2 TIP3 2384 -3.915 32.405 -8.304 1.00 0.00 WT3 H ATOM 39196 OH2 TIP3 2388 0.126 -4.499 4.339 1.00 0.00 WT3 O ATOM 39197 H1 TIP3 2388 14.905 9.228 -20.713 1.00 0.00 WT3 H ATOM 39198 H2 TIP3 2388 13.030 -23.484 5.430 1.00 0.00 WT3 H ATOM 39199 OH2 TIP3 2390 -1.713 3.842 2.477 1.00 0.00 WT3 O ATOM 39200 H1 TIP3 2390 4.601 -3.023 3.961 1.00 0.00 WT3 H ATOM 39201 H2 TIP3 2390 10.720 -6.662 5.707 1.00 0.00 WT3 H ATOM 39202 OH2 TIP3 2393 -0.014 -1.491 4.958 1.00 0.00 WT3 O ATOM 39203 H1 TIP3 2393 4.195 28.145 0.368 1.00 0.00 WT3 H ATOM 39204 H2 TIP3 2393 -15.073 -12.992 9.408 1.00 0.00 WT3 H ATOM 39205 OH2 TIP3 2394 2.316 6.983 5.808 1.00 0.00 WT3 O ATOM 39206 H1 TIP3 2394 -9.882 7.506 -6.402 1.00 0.00 WT3 H ATOM 39207 H2 TIP3 2394 -16.050 10.378 -1.555 1.00 0.00 WT3 H ATOM 39208 OH2 TIP3 2396 -0.995 4.197 -1.398 1.00 0.00 WT3 O ATOM 39209 H1 TIP3 2396 12.468 -2.043 -9.433 1.00 0.00 WT3 H ATOM 39210 H2 TIP3 2396 2.106 -3.612 -39.865 1.00 0.00 WT3 H ATOM 39211 OH2 TIP3 2397 1.754 4.428 -0.749 1.00 0.00 WT3 O ATOM 39212 H1 TIP3 2397 15.477 5.403 16.397 1.00 0.00 WT3 H ATOM 39213 H2 TIP3 2397 -36.019 15.342 -12.751 1.00 0.00 WT3 H ATOM 39214 OH2 TIP3 2398 5.926 -0.130 4.208 1.00 0.00 WT3 O ATOM 39215 H1 TIP3 2398 -10.133 -0.011 1.791 1.00 0.00 WT3 H ATOM 39216 H2 TIP3 2398 9.607 5.040 9.881 1.00 0.00 WT3 H ATOM 39217 OH2 TIP3 2402 3.560 -0.351 -6.635 1.00 0.00 WT3 O ATOM 39218 H1 TIP3 2402 0.503 12.804 -0.755 1.00 0.00 WT3 H ATOM 39219 H2 TIP3 2402 2.026 -20.350 -8.642 1.00 0.00 WT3 H ATOM 39220 OH2 TIP3 2405 6.581 -2.231 2.389 1.00 0.00 WT3 O ATOM 39221 H1 TIP3 2405 5.357 11.235 0.765 1.00 0.00 WT3 H ATOM 39222 H2 TIP3 2405 7.612 -8.313 1.932 1.00 0.00 WT3 H ATOM 39223 OH2 TIP3 2406 -1.309 2.899 1.846 1.00 0.00 WT3 O ATOM 39224 H1 TIP3 2406 -1.366 0.278 -0.004 1.00 0.00 WT3 H ATOM 39225 H2 TIP3 2406 -0.765 5.821 11.644 1.00 0.00 WT3 H ATOM 39226 OH2 TIP3 2407 5.510 1.775 3.061 1.00 0.00 WT3 O ATOM 39227 H1 TIP3 2407 -1.177 1.231 6.256 1.00 0.00 WT3 H ATOM 39228 H2 TIP3 2407 -3.501 -1.960 -3.066 1.00 0.00 WT3 H ATOM 39229 OH2 TIP3 2408 0.790 2.775 4.038 1.00 0.00 WT3 O ATOM 39230 H1 TIP3 2408 0.160 0.835 -1.730 1.00 0.00 WT3 H ATOM 39231 H2 TIP3 2408 0.520 6.296 15.659 1.00 0.00 WT3 H ATOM 39232 OH2 TIP3 2409 5.539 0.340 0.444 1.00 0.00 WT3 O ATOM 39233 H1 TIP3 2409 -11.243 8.486 2.001 1.00 0.00 WT3 H ATOM 39234 H2 TIP3 2409 23.381 1.448 8.021 1.00 0.00 WT3 H ATOM 39235 OH2 TIP3 2411 1.401 -3.075 -0.023 1.00 0.00 WT3 O ATOM 39236 H1 TIP3 2411 2.560 5.857 1.497 1.00 0.00 WT3 H ATOM 39237 H2 TIP3 2411 -19.746 33.307 -14.888 1.00 0.00 WT3 H ATOM 39238 OH2 TIP3 2412 -5.380 2.184 3.559 1.00 0.00 WT3 O ATOM 39239 H1 TIP3 2412 2.773 3.796 4.991 1.00 0.00 WT3 H ATOM 39240 H2 TIP3 2412 -5.753 -0.264 -2.710 1.00 0.00 WT3 H ATOM 39241 OH2 TIP3 2413 -3.806 -1.711 -7.074 1.00 0.00 WT3 O ATOM 39242 H1 TIP3 2413 -1.454 -1.823 -4.024 1.00 0.00 WT3 H ATOM 39243 H2 TIP3 2413 6.017 -1.021 6.287 1.00 0.00 WT3 H ATOM 39244 OH2 TIP3 2414 -5.190 1.978 1.518 1.00 0.00 WT3 O ATOM 39245 H1 TIP3 2414 -3.045 6.373 15.455 1.00 0.00 WT3 H ATOM 39246 H2 TIP3 2414 11.559 -6.252 -3.703 1.00 0.00 WT3 H ATOM 39247 OH2 TIP3 2415 1.858 1.534 -2.050 1.00 0.00 WT3 O ATOM 39248 H1 TIP3 2415 -3.916 18.587 -4.752 1.00 0.00 WT3 H ATOM 39249 H2 TIP3 2415 6.217 -18.370 -5.393 1.00 0.00 WT3 H ATOM 39250 OH2 TIP3 2418 5.950 -3.576 -2.870 1.00 0.00 WT3 O ATOM 39251 H1 TIP3 2418 21.148 15.002 23.980 1.00 0.00 WT3 H ATOM 39252 H2 TIP3 2418 3.812 -1.669 18.009 1.00 0.00 WT3 H ATOM 39253 OH2 TIP3 2426 0.771 1.050 3.415 1.00 0.00 WT3 O ATOM 39254 H1 TIP3 2426 0.593 3.614 23.895 1.00 0.00 WT3 H ATOM 39255 H2 TIP3 2426 10.853 4.741 -4.251 1.00 0.00 WT3 H ATOM 39256 OH2 TIP3 2427 -6.385 0.092 3.666 1.00 0.00 WT3 O ATOM 39257 H1 TIP3 2427 2.790 -5.489 9.225 1.00 0.00 WT3 H ATOM 39258 H2 TIP3 2427 7.749 -13.157 16.792 1.00 0.00 WT3 H ATOM 39259 OH2 TIP3 2432 -2.032 0.199 -0.568 1.00 0.00 WT3 O ATOM 39260 H1 TIP3 2432 -6.883 -1.134 -4.023 1.00 0.00 WT3 H ATOM 39261 H2 TIP3 2432 13.968 -6.333 1.278 1.00 0.00 WT3 H ATOM 39262 OH2 TIP3 2434 3.250 -3.413 1.663 1.00 0.00 WT3 O ATOM 39263 H1 TIP3 2434 -8.387 -1.913 14.361 1.00 0.00 WT3 H ATOM 39264 H2 TIP3 2434 -17.920 -2.064 31.899 1.00 0.00 WT3 H ATOM 39265 OH2 TIP3 2435 2.463 -0.788 1.043 1.00 0.00 WT3 O ATOM 39266 H1 TIP3 2435 -10.898 -0.437 5.923 1.00 0.00 WT3 H ATOM 39267 H2 TIP3 2435 22.476 -10.968 20.260 1.00 0.00 WT3 H ATOM 39268 OH2 TIP3 2436 0.792 -1.006 5.169 1.00 0.00 WT3 O ATOM 39269 H1 TIP3 2436 0.713 -2.904 2.447 1.00 0.00 WT3 H ATOM 39270 H2 TIP3 2436 -2.522 10.371 7.309 1.00 0.00 WT3 H ATOM 39271 OH2 TIP3 2444 -5.448 -1.496 1.825 1.00 0.00 WT3 O ATOM 39272 H1 TIP3 2444 18.463 -2.841 -1.649 1.00 0.00 WT3 H ATOM 39273 H2 TIP3 2444 -9.179 3.717 14.687 1.00 0.00 WT3 H ATOM 39274 OH2 TIP3 2445 -0.841 4.431 0.327 1.00 0.00 WT3 O ATOM 39275 H1 TIP3 2445 2.010 30.381 -5.414 1.00 0.00 WT3 H ATOM 39276 H2 TIP3 2445 20.003 -3.090 5.425 1.00 0.00 WT3 H ATOM 39277 OH2 TIP3 2449 5.609 3.277 -2.577 1.00 0.00 WT3 O ATOM 39278 H1 TIP3 2449 16.537 18.805 -9.355 1.00 0.00 WT3 H ATOM 39279 H2 TIP3 2449 -0.989 4.559 10.166 1.00 0.00 WT3 H ATOM 39280 OH2 TIP3 2451 -8.642 8.022 -7.340 1.00 0.00 WT3 O ATOM 39281 H1 TIP3 2451 -8.334 -1.236 17.094 1.00 0.00 WT3 H ATOM 39282 H2 TIP3 2451 -22.614 8.677 -6.841 1.00 0.00 WT3 H ATOM 39283 OH2 TIP3 2453 0.716 -0.354 0.103 1.00 0.00 WT3 O ATOM 39284 H1 TIP3 2453 5.179 -5.463 -6.842 1.00 0.00 WT3 H ATOM 39285 H2 TIP3 2453 2.623 -3.793 -4.484 1.00 0.00 WT3 H ATOM 39286 OH2 TIP3 2457 6.024 0.055 -0.915 1.00 0.00 WT3 O ATOM 39287 H1 TIP3 2457 5.562 3.907 -7.336 1.00 0.00 WT3 H ATOM 39288 H2 TIP3 2457 -17.998 -19.132 -12.396 1.00 0.00 WT3 H ATOM 39289 OH2 TIP3 2464 -6.345 -4.077 -1.593 1.00 0.00 WT3 O ATOM 39290 H1 TIP3 2464 -5.863 -15.214 -0.398 1.00 0.00 WT3 H ATOM 39291 H2 TIP3 2464 10.825 -1.978 9.163 1.00 0.00 WT3 H ATOM 39292 OH2 TIP3 2469 1.822 1.825 2.389 1.00 0.00 WT3 O ATOM 39293 H1 TIP3 2469 5.636 7.791 8.931 1.00 0.00 WT3 H ATOM 39294 H2 TIP3 2469 -6.764 -5.180 1.164 1.00 0.00 WT3 H ATOM 39295 OH2 TIP3 2473 -2.039 -2.676 -3.869 1.00 0.00 WT3 O ATOM 39296 H1 TIP3 2473 -28.348 9.133 1.061 1.00 0.00 WT3 H ATOM 39297 H2 TIP3 2473 16.714 -5.870 -2.659 1.00 0.00 WT3 H ATOM 39298 OH2 TIP3 2475 -0.136 3.781 0.384 1.00 0.00 WT3 O ATOM 39299 H1 TIP3 2475 1.340 -2.386 -2.140 1.00 0.00 WT3 H ATOM 39300 H2 TIP3 2475 4.281 8.012 -2.762 1.00 0.00 WT3 H ATOM 39301 OH2 TIP3 2476 2.920 -1.465 -5.689 1.00 0.00 WT3 O ATOM 39302 H1 TIP3 2476 2.523 -2.323 -9.735 1.00 0.00 WT3 H ATOM 39303 H2 TIP3 2476 -0.380 -1.769 -5.096 1.00 0.00 WT3 H ATOM 39304 OH2 TIP3 2508 -1.311 6.912 -0.819 1.00 0.00 WT3 O ATOM 39305 H1 TIP3 2508 1.042 4.277 -2.990 1.00 0.00 WT3 H ATOM 39306 H2 TIP3 2508 2.976 -8.710 -11.166 1.00 0.00 WT3 H ATOM 39307 OH2 TIP3 2513 -3.009 -1.255 -4.145 1.00 0.00 WT3 O ATOM 39308 H1 TIP3 2513 0.827 10.322 11.135 1.00 0.00 WT3 H ATOM 39309 H2 TIP3 2513 12.320 -1.676 6.135 1.00 0.00 WT3 H ATOM 39310 OH2 TIP3 2561 4.687 -1.491 -2.064 1.00 0.00 WT3 O ATOM 39311 H1 TIP3 2561 12.346 -14.323 -0.399 1.00 0.00 WT3 H ATOM 39312 H2 TIP3 2561 6.032 2.567 4.883 1.00 0.00 WT3 H ATOM 39313 OH2 TIP3 2587 6.044 2.695 1.476 1.00 0.00 WT3 O ATOM 39314 H1 TIP3 2587 2.516 5.590 11.628 1.00 0.00 WT3 H ATOM 39315 H2 TIP3 2587 4.246 3.994 6.567 1.00 0.00 WT3 H ATOM 39316 OH2 TIP3 2591 -0.706 -0.512 -5.762 1.00 0.00 WT3 O ATOM 39317 H1 TIP3 2591 12.344 19.987 -30.090 1.00 0.00 WT3 H ATOM 39318 H2 TIP3 2591 7.559 -18.023 3.392 1.00 0.00 WT3 H ATOM 39319 OH2 TIP3 2606 -0.525 1.929 0.681 1.00 0.00 WT3 O ATOM 39320 H1 TIP3 2606 -3.694 -1.156 -3.302 1.00 0.00 WT3 H ATOM 39321 H2 TIP3 2606 0.214 -0.739 -3.996 1.00 0.00 WT3 H ATOM 39322 OH2 TIP3 2607 -4.412 2.166 4.660 1.00 0.00 WT3 O ATOM 39323 H1 TIP3 2607 -1.818 19.246 -8.127 1.00 0.00 WT3 H ATOM 39324 H2 TIP3 2607 -5.674 -9.366 0.091 1.00 0.00 WT3 H ATOM 39325 OH2 TIP3 2608 -2.172 2.145 5.658 1.00 0.00 WT3 O ATOM 39326 H1 TIP3 2608 17.096 -23.005 -8.270 1.00 0.00 WT3 H ATOM 39327 H2 TIP3 2608 1.203 -0.059 16.144 1.00 0.00 WT3 H ATOM 39328 OH2 TIP3 2610 1.278 6.385 1.233 1.00 0.00 WT3 O ATOM 39329 H1 TIP3 2610 17.430 21.714 -31.240 1.00 0.00 WT3 H ATOM 39330 H2 TIP3 2610 6.233 11.816 -3.341 1.00 0.00 WT3 H ATOM 39331 OH2 TIP3 2616 5.864 4.178 3.017 1.00 0.00 WT3 O ATOM 39332 H1 TIP3 2616 -13.251 -27.637 -14.209 1.00 0.00 WT3 H ATOM 39333 H2 TIP3 2616 22.384 18.762 8.201 1.00 0.00 WT3 H ATOM 39334 OH2 TIP3 2617 0.157 -4.330 1.571 1.00 0.00 WT3 O ATOM 39335 H1 TIP3 2617 -11.415 5.350 21.221 1.00 0.00 WT3 H ATOM 39336 H2 TIP3 2617 -5.278 20.478 17.088 1.00 0.00 WT3 H ATOM 39337 OH2 TIP3 2624 -3.864 2.850 -5.812 1.00 0.00 WT3 O ATOM 39338 H1 TIP3 2624 5.337 8.919 -11.950 1.00 0.00 WT3 H ATOM 39339 H2 TIP3 2624 -1.035 -9.329 -0.645 1.00 0.00 WT3 H ATOM 39340 OH2 TIP3 2626 4.465 1.209 -1.404 1.00 0.00 WT3 O ATOM 39341 H1 TIP3 2626 11.505 5.483 8.761 1.00 0.00 WT3 H ATOM 39342 H2 TIP3 2626 -7.215 3.664 1.641 1.00 0.00 WT3 H ATOM 39343 OH2 TIP3 2628 4.552 -8.138 6.109 1.00 0.00 WT3 O ATOM 39344 H1 TIP3 2628 12.857 -7.997 -20.299 1.00 0.00 WT3 H ATOM 39345 H2 TIP3 2628 3.698 -3.857 -2.388 1.00 0.00 WT3 H ATOM 39346 OH2 TIP3 2629 3.266 -2.756 1.506 1.00 0.00 WT3 O ATOM 39347 H1 TIP3 2629 32.411 1.171 -10.153 1.00 0.00 WT3 H ATOM 39348 H2 TIP3 2629 -5.432 -6.431 -0.894 1.00 0.00 WT3 H ATOM 39349 OH2 TIP3 2630 8.932 0.869 0.338 1.00 0.00 WT3 O ATOM 39350 H1 TIP3 2630 3.277 -5.863 -11.542 1.00 0.00 WT3 H ATOM 39351 H2 TIP3 2630 8.348 2.746 3.319 1.00 0.00 WT3 H ATOM 39352 OH2 TIP3 2632 -5.160 4.378 -2.395 1.00 0.00 WT3 O ATOM 39353 H1 TIP3 2632 12.503 14.122 -3.383 1.00 0.00 WT3 H ATOM 39354 H2 TIP3 2632 1.793 3.919 9.473 1.00 0.00 WT3 H ATOM 39355 OH2 TIP3 2633 6.451 2.699 0.721 1.00 0.00 WT3 O ATOM 39356 H1 TIP3 2633 -1.052 -39.847 8.155 1.00 0.00 WT3 H ATOM 39357 H2 TIP3 2633 -4.825 1.573 7.217 1.00 0.00 WT3 H ATOM 39358 OH2 TIP3 2634 2.867 3.653 -4.610 1.00 0.00 WT3 O ATOM 39359 H1 TIP3 2634 -9.545 -24.884 -14.192 1.00 0.00 WT3 H ATOM 39360 H2 TIP3 2634 10.386 -3.068 -9.987 1.00 0.00 WT3 H ATOM 39361 OH2 TIP3 2638 -1.726 -1.450 -2.397 1.00 0.00 WT3 O ATOM 39362 H1 TIP3 2638 -7.193 7.881 4.024 1.00 0.00 WT3 H ATOM 39363 H2 TIP3 2638 -0.512 -13.367 8.195 1.00 0.00 WT3 H ATOM 39364 OH2 TIP3 2644 -2.228 2.895 5.405 1.00 0.00 WT3 O ATOM 39365 H1 TIP3 2644 -16.601 -4.986 5.571 1.00 0.00 WT3 H ATOM 39366 H2 TIP3 2644 -15.837 -0.468 14.061 1.00 0.00 WT3 H ATOM 39367 OH2 TIP3 2646 3.015 -5.491 3.962 1.00 0.00 WT3 O ATOM 39368 H1 TIP3 2646 -9.511 -15.473 11.786 1.00 0.00 WT3 H ATOM 39369 H2 TIP3 2646 -9.562 4.061 -4.270 1.00 0.00 WT3 H ATOM 39370 OH2 TIP3 2649 -0.722 -2.792 0.547 1.00 0.00 WT3 O ATOM 39371 H1 TIP3 2649 -17.203 -5.570 -4.253 1.00 0.00 WT3 H ATOM 39372 H2 TIP3 2649 21.366 11.518 -1.884 1.00 0.00 WT3 H ATOM 39373 OH2 TIP3 2650 -4.951 -8.326 4.591 1.00 0.00 WT3 O ATOM 39374 H1 TIP3 2650 -2.877 -3.582 -2.412 1.00 0.00 WT3 H ATOM 39375 H2 TIP3 2650 -4.204 -18.302 8.953 1.00 0.00 WT3 H ATOM 39376 OH2 TIP3 2652 0.620 -0.616 -2.265 1.00 0.00 WT3 O ATOM 39377 H1 TIP3 2652 3.910 -5.556 -1.369 1.00 0.00 WT3 H ATOM 39378 H2 TIP3 2652 -11.839 15.386 -5.445 1.00 0.00 WT3 H ATOM 39379 OH2 TIP3 2654 -5.305 -1.384 3.862 1.00 0.00 WT3 O ATOM 39380 H1 TIP3 2654 1.253 11.383 12.163 1.00 0.00 WT3 H ATOM 39381 H2 TIP3 2654 -21.177 3.747 1.414 1.00 0.00 WT3 H ATOM 39382 OH2 TIP3 2656 2.022 -0.655 5.027 1.00 0.00 WT3 O ATOM 39383 H1 TIP3 2656 -10.164 -3.897 9.169 1.00 0.00 WT3 H ATOM 39384 H2 TIP3 2656 -5.764 -5.030 -4.549 1.00 0.00 WT3 H ATOM 39385 OH2 TIP3 2657 -3.815 -4.682 -4.581 1.00 0.00 WT3 O ATOM 39386 H1 TIP3 2657 -2.962 -3.237 -13.109 1.00 0.00 WT3 H ATOM 39387 H2 TIP3 2657 8.492 -0.923 -0.095 1.00 0.00 WT3 H ATOM 39388 OH2 TIP3 2659 -4.763 -5.691 3.790 1.00 0.00 WT3 O ATOM 39389 H1 TIP3 2659 -6.273 -3.506 13.833 1.00 0.00 WT3 H ATOM 39390 H2 TIP3 2659 -11.115 -16.578 41.793 1.00 0.00 WT3 H ATOM 39391 OH2 TIP3 2661 1.047 -2.671 0.825 1.00 0.00 WT3 O ATOM 39392 H1 TIP3 2661 2.249 -9.271 -0.268 1.00 0.00 WT3 H ATOM 39393 H2 TIP3 2661 -0.024 -11.842 0.642 1.00 0.00 WT3 H ATOM 39394 OH2 TIP3 2665 -1.148 2.661 6.175 1.00 0.00 WT3 O ATOM 39395 H1 TIP3 2665 -13.435 4.299 2.214 1.00 0.00 WT3 H ATOM 39396 H2 TIP3 2665 -2.507 0.848 16.625 1.00 0.00 WT3 H ATOM 39397 OH2 TIP3 2667 -1.162 3.811 0.118 1.00 0.00 WT3 O ATOM 39398 H1 TIP3 2667 0.247 -3.192 -1.731 1.00 0.00 WT3 H ATOM 39399 H2 TIP3 2667 -12.616 -9.877 5.176 1.00 0.00 WT3 H ATOM 39400 OH2 TIP3 2669 -3.476 1.986 5.189 1.00 0.00 WT3 O ATOM 39401 H1 TIP3 2669 15.985 2.285 12.013 1.00 0.00 WT3 H ATOM 39402 H2 TIP3 2669 -13.889 3.682 -12.104 1.00 0.00 WT3 H ATOM 39403 OH2 TIP3 2670 0.347 0.062 7.058 1.00 0.00 WT3 O ATOM 39404 H1 TIP3 2670 2.546 -2.720 9.112 1.00 0.00 WT3 H ATOM 39405 H2 TIP3 2670 -1.932 0.414 6.591 1.00 0.00 WT3 H ATOM 39406 OH2 TIP3 2672 -0.895 9.306 -5.098 1.00 0.00 WT3 O ATOM 39407 H1 TIP3 2672 4.698 28.390 -5.067 1.00 0.00 WT3 H ATOM 39408 H2 TIP3 2672 3.813 0.760 14.285 1.00 0.00 WT3 H ATOM 39409 OH2 TIP3 2673 -4.992 2.514 -7.104 1.00 0.00 WT3 O ATOM 39410 H1 TIP3 2673 26.033 5.445 0.546 1.00 0.00 WT3 H ATOM 39411 H2 TIP3 2673 -41.658 -2.913 1.165 1.00 0.00 WT3 H ATOM 39412 OH2 TIP3 2675 3.674 -3.180 -3.888 1.00 0.00 WT3 O ATOM 39413 H1 TIP3 2675 8.067 -6.327 -1.464 1.00 0.00 WT3 H ATOM 39414 H2 TIP3 2675 -0.937 -6.504 -4.560 1.00 0.00 WT3 H ATOM 39415 OH2 TIP3 2676 0.514 9.316 11.282 1.00 0.00 WT3 O ATOM 39416 H1 TIP3 2676 14.058 19.641 0.933 1.00 0.00 WT3 H ATOM 39417 H2 TIP3 2676 -8.091 11.675 8.333 1.00 0.00 WT3 H ATOM 39418 OH2 TIP3 2677 0.011 -1.935 1.091 1.00 0.00 WT3 O ATOM 39419 H1 TIP3 2677 -8.553 5.217 -1.761 1.00 0.00 WT3 H ATOM 39420 H2 TIP3 2677 -7.664 22.972 5.538 1.00 0.00 WT3 H ATOM 39421 OH2 TIP3 2678 -9.449 3.203 3.751 1.00 0.00 WT3 O ATOM 39422 H1 TIP3 2678 -6.993 6.035 -10.196 1.00 0.00 WT3 H ATOM 39423 H2 TIP3 2678 -23.354 5.621 -3.182 1.00 0.00 WT3 H ATOM 39424 OH2 TIP3 2680 5.304 1.215 4.046 1.00 0.00 WT3 O ATOM 39425 H1 TIP3 2680 20.589 -2.620 1.323 1.00 0.00 WT3 H ATOM 39426 H2 TIP3 2680 -10.501 -19.115 3.937 1.00 0.00 WT3 H ATOM 39427 OH2 TIP3 2681 1.558 1.099 -5.101 1.00 0.00 WT3 O ATOM 39428 H1 TIP3 2681 -3.778 2.205 -4.147 1.00 0.00 WT3 H ATOM 39429 H2 TIP3 2681 17.123 17.210 -19.757 1.00 0.00 WT3 H ATOM 39430 OH2 TIP3 2682 2.216 -11.494 -0.171 1.00 0.00 WT3 O ATOM 39431 H1 TIP3 2682 8.432 -8.238 -7.740 1.00 0.00 WT3 H ATOM 39432 H2 TIP3 2682 1.213 -26.592 8.874 1.00 0.00 WT3 H ATOM 39433 OH2 TIP3 2684 -5.873 -4.530 -7.493 1.00 0.00 WT3 O ATOM 39434 H1 TIP3 2684 -21.966 -27.804 8.610 1.00 0.00 WT3 H ATOM 39435 H2 TIP3 2684 5.206 12.131 -19.388 1.00 0.00 WT3 H ATOM 39436 OH2 TIP3 2685 -5.749 -4.325 -5.371 1.00 0.00 WT3 O ATOM 39437 H1 TIP3 2685 -7.151 2.646 -20.099 1.00 0.00 WT3 H ATOM 39438 H2 TIP3 2685 2.410 9.068 -5.956 1.00 0.00 WT3 H ATOM 39439 OH2 TIP3 2688 -3.156 -0.591 1.794 1.00 0.00 WT3 O ATOM 39440 H1 TIP3 2688 6.949 -1.615 -23.054 1.00 0.00 WT3 H ATOM 39441 H2 TIP3 2688 -5.169 -15.444 7.361 1.00 0.00 WT3 H ATOM 39442 OH2 TIP3 2689 -1.077 5.108 4.844 1.00 0.00 WT3 O ATOM 39443 H1 TIP3 2689 -13.413 -0.678 -6.441 1.00 0.00 WT3 H ATOM 39444 H2 TIP3 2689 6.026 -4.033 19.196 1.00 0.00 WT3 H ATOM 39445 OH2 TIP3 2690 -5.570 1.054 2.679 1.00 0.00 WT3 O ATOM 39446 H1 TIP3 2690 1.037 35.736 -7.625 1.00 0.00 WT3 H ATOM 39447 H2 TIP3 2690 -4.212 -15.066 4.547 1.00 0.00 WT3 H ATOM 39448 OH2 TIP3 2691 8.681 -1.413 -6.476 1.00 0.00 WT3 O ATOM 39449 H1 TIP3 2691 7.531 19.710 -0.643 1.00 0.00 WT3 H ATOM 39450 H2 TIP3 2691 -16.850 8.568 16.960 1.00 0.00 WT3 H ATOM 39451 OH2 TIP3 2692 -1.253 -4.875 -5.136 1.00 0.00 WT3 O ATOM 39452 H1 TIP3 2692 37.002 2.254 2.972 1.00 0.00 WT3 H ATOM 39453 H2 TIP3 2692 16.075 -1.041 0.374 1.00 0.00 WT3 H ATOM 39454 OH2 TIP3 2693 3.123 -3.764 5.814 1.00 0.00 WT3 O ATOM 39455 H1 TIP3 2693 3.924 -1.170 -0.558 1.00 0.00 WT3 H ATOM 39456 H2 TIP3 2693 8.446 -5.786 10.833 1.00 0.00 WT3 H ATOM 39457 OH2 TIP3 2694 1.843 4.908 2.696 1.00 0.00 WT3 O ATOM 39458 H1 TIP3 2694 2.236 12.533 -15.790 1.00 0.00 WT3 H ATOM 39459 H2 TIP3 2694 21.374 -4.265 12.749 1.00 0.00 WT3 H ATOM 39460 OH2 TIP3 2695 2.880 5.399 2.072 1.00 0.00 WT3 O ATOM 39461 H1 TIP3 2695 -13.640 -1.709 -8.289 1.00 0.00 WT3 H ATOM 39462 H2 TIP3 2695 19.455 6.002 -14.211 1.00 0.00 WT3 H ATOM 39463 OH2 TIP3 2697 1.520 -5.586 -3.503 1.00 0.00 WT3 O ATOM 39464 H1 TIP3 2697 1.949 -6.151 -15.996 1.00 0.00 WT3 H ATOM 39465 H2 TIP3 2697 10.040 -14.881 2.107 1.00 0.00 WT3 H ATOM 39466 OH2 TIP3 2698 -0.285 0.942 0.123 1.00 0.00 WT3 O ATOM 39467 H1 TIP3 2698 0.199 -11.160 -9.094 1.00 0.00 WT3 H ATOM 39468 H2 TIP3 2698 -13.294 8.012 1.185 1.00 0.00 WT3 H ATOM 39469 OH2 TIP3 2699 -0.284 -2.182 3.515 1.00 0.00 WT3 O ATOM 39470 H1 TIP3 2699 13.710 -1.093 6.113 1.00 0.00 WT3 H ATOM 39471 H2 TIP3 2699 -1.214 2.885 14.773 1.00 0.00 WT3 H ATOM 39472 OH2 TIP3 2701 1.912 9.668 -2.079 1.00 0.00 WT3 O ATOM 39473 H1 TIP3 2701 5.808 -12.672 23.077 1.00 0.00 WT3 H ATOM 39474 H2 TIP3 2701 -19.459 -3.389 -24.798 1.00 0.00 WT3 H ATOM 39475 OH2 TIP3 2702 3.937 2.116 2.187 1.00 0.00 WT3 O ATOM 39476 H1 TIP3 2702 8.713 11.086 -3.062 1.00 0.00 WT3 H ATOM 39477 H2 TIP3 2702 4.469 1.369 0.490 1.00 0.00 WT3 H ATOM 39478 OH2 TIP3 2705 -0.559 2.802 -2.488 1.00 0.00 WT3 O ATOM 39479 H1 TIP3 2705 -16.156 7.077 7.486 1.00 0.00 WT3 H ATOM 39480 H2 TIP3 2705 15.030 -5.115 -18.230 1.00 0.00 WT3 H ATOM 39481 OH2 TIP3 2706 -0.698 0.095 4.572 1.00 0.00 WT3 O ATOM 39482 H1 TIP3 2706 4.660 -14.735 -9.932 1.00 0.00 WT3 H ATOM 39483 H2 TIP3 2706 -3.535 -3.450 -11.160 1.00 0.00 WT3 H ATOM 39484 OH2 TIP3 2707 -1.541 -2.196 5.564 1.00 0.00 WT3 O ATOM 39485 H1 TIP3 2707 15.338 -26.802 11.683 1.00 0.00 WT3 H ATOM 39486 H2 TIP3 2707 5.262 4.385 -22.120 1.00 0.00 WT3 H ATOM 39487 OH2 TIP3 2709 -1.150 -1.049 -4.064 1.00 0.00 WT3 O ATOM 39488 H1 TIP3 2709 23.946 14.862 9.702 1.00 0.00 WT3 H ATOM 39489 H2 TIP3 2709 2.078 3.937 12.214 1.00 0.00 WT3 H ATOM 39490 OH2 TIP3 2710 2.193 -0.791 -0.176 1.00 0.00 WT3 O ATOM 39491 H1 TIP3 2710 -15.269 33.792 -15.885 1.00 0.00 WT3 H ATOM 39492 H2 TIP3 2710 10.582 -19.804 10.913 1.00 0.00 WT3 H ATOM 39493 OH2 TIP3 2713 -2.231 3.761 -0.378 1.00 0.00 WT3 O ATOM 39494 H1 TIP3 2713 -9.067 2.113 10.882 1.00 0.00 WT3 H ATOM 39495 H2 TIP3 2713 3.000 8.856 0.317 1.00 0.00 WT3 H ATOM 39496 OH2 TIP3 2714 -1.796 2.027 -3.385 1.00 0.00 WT3 O ATOM 39497 H1 TIP3 2714 -9.227 -4.651 -1.039 1.00 0.00 WT3 H ATOM 39498 H2 TIP3 2714 5.873 -0.122 1.604 1.00 0.00 WT3 H ATOM 39499 OH2 TIP3 2715 0.636 0.882 -4.735 1.00 0.00 WT3 O ATOM 39500 H1 TIP3 2715 5.233 -3.384 -2.697 1.00 0.00 WT3 H ATOM 39501 H2 TIP3 2715 -2.161 -18.140 2.778 1.00 0.00 WT3 H ATOM 39502 OH2 TIP3 2717 -1.560 -2.990 0.503 1.00 0.00 WT3 O ATOM 39503 H1 TIP3 2717 -7.061 -11.675 6.902 1.00 0.00 WT3 H ATOM 39504 H2 TIP3 2717 5.709 -8.711 -6.206 1.00 0.00 WT3 H ATOM 39505 OH2 TIP3 2718 -6.479 2.363 -3.823 1.00 0.00 WT3 O ATOM 39506 H1 TIP3 2718 4.365 -19.403 14.774 1.00 0.00 WT3 H ATOM 39507 H2 TIP3 2718 2.624 -2.553 11.540 1.00 0.00 WT3 H ATOM 39508 OH2 TIP3 2719 -0.943 4.096 4.764 1.00 0.00 WT3 O ATOM 39509 H1 TIP3 2719 -0.033 9.098 5.637 1.00 0.00 WT3 H ATOM 39510 H2 TIP3 2719 2.841 -9.494 5.548 1.00 0.00 WT3 H ATOM 39511 OH2 TIP3 2720 1.183 2.914 -2.018 1.00 0.00 WT3 O ATOM 39512 H1 TIP3 2720 -14.469 -32.007 2.606 1.00 0.00 WT3 H ATOM 39513 H2 TIP3 2720 3.216 0.291 -7.300 1.00 0.00 WT3 H ATOM 39514 OH2 TIP3 2723 1.272 -1.309 1.071 1.00 0.00 WT3 O ATOM 39515 H1 TIP3 2723 -10.937 -17.038 -4.045 1.00 0.00 WT3 H ATOM 39516 H2 TIP3 2723 14.915 -3.461 17.407 1.00 0.00 WT3 H ATOM 39517 OH2 TIP3 2724 -2.534 1.588 1.460 1.00 0.00 WT3 O ATOM 39518 H1 TIP3 2724 8.569 2.994 7.901 1.00 0.00 WT3 H ATOM 39519 H2 TIP3 2724 4.368 -18.008 10.491 1.00 0.00 WT3 H ATOM 39520 OH2 TIP3 2726 -5.898 -0.777 4.119 1.00 0.00 WT3 O ATOM 39521 H1 TIP3 2726 -44.783 -7.321 -33.340 1.00 0.00 WT3 H ATOM 39522 H2 TIP3 2726 0.221 0.456 11.530 1.00 0.00 WT3 H ATOM 39523 OH2 TIP3 2727 -2.894 -3.953 4.012 1.00 0.00 WT3 O ATOM 39524 H1 TIP3 2727 16.208 -15.490 7.357 1.00 0.00 WT3 H ATOM 39525 H2 TIP3 2727 -12.823 -3.791 -6.299 1.00 0.00 WT3 H ATOM 39526 OH2 TIP3 2731 -6.018 5.232 -8.934 1.00 0.00 WT3 O ATOM 39527 H1 TIP3 2731 -3.494 2.159 1.456 1.00 0.00 WT3 H ATOM 39528 H2 TIP3 2731 -5.263 -49.150 -19.698 1.00 0.00 WT3 H ATOM 39529 OH2 TIP3 2732 4.460 -2.532 2.133 1.00 0.00 WT3 O ATOM 39530 H1 TIP3 2732 -23.371 17.786 -18.572 1.00 0.00 WT3 H ATOM 39531 H2 TIP3 2732 -1.932 7.168 3.802 1.00 0.00 WT3 H ATOM 39532 OH2 TIP3 2734 2.520 2.701 0.292 1.00 0.00 WT3 O ATOM 39533 H1 TIP3 2734 -4.856 -1.034 -3.704 1.00 0.00 WT3 H ATOM 39534 H2 TIP3 2734 2.422 18.050 -4.861 1.00 0.00 WT3 H ATOM 39535 OH2 TIP3 2735 -3.298 -2.121 2.245 1.00 0.00 WT3 O ATOM 39536 H1 TIP3 2735 4.396 -2.041 1.636 1.00 0.00 WT3 H ATOM 39537 H2 TIP3 2735 -7.721 5.948 4.030 1.00 0.00 WT3 H ATOM 39538 OH2 TIP3 2736 5.403 2.759 -2.039 1.00 0.00 WT3 O ATOM 39539 H1 TIP3 2736 16.073 3.698 19.093 1.00 0.00 WT3 H ATOM 39540 H2 TIP3 2736 4.667 -20.770 -6.765 1.00 0.00 WT3 H ATOM 39541 OH2 TIP3 2737 3.800 0.182 1.911 1.00 0.00 WT3 O ATOM 39542 H1 TIP3 2737 13.373 -13.475 -2.902 1.00 0.00 WT3 H ATOM 39543 H2 TIP3 2737 -1.591 -8.959 -0.283 1.00 0.00 WT3 H ATOM 39544 OH2 TIP3 2738 -1.246 -0.216 0.717 1.00 0.00 WT3 O ATOM 39545 H1 TIP3 2738 -12.813 12.097 8.413 1.00 0.00 WT3 H ATOM 39546 H2 TIP3 2738 -9.016 9.839 7.037 1.00 0.00 WT3 H ATOM 39547 OH2 TIP3 2739 -0.540 1.132 -3.678 1.00 0.00 WT3 O ATOM 39548 H1 TIP3 2739 -5.260 -0.282 -14.298 1.00 0.00 WT3 H ATOM 39549 H2 TIP3 2739 -2.703 -9.998 -7.384 1.00 0.00 WT3 H ATOM 39550 OH2 TIP3 2740 1.010 0.814 1.977 1.00 0.00 WT3 O ATOM 39551 H1 TIP3 2740 7.616 10.261 -3.793 1.00 0.00 WT3 H ATOM 39552 H2 TIP3 2740 2.428 0.691 1.002 1.00 0.00 WT3 H ATOM 39553 OH2 TIP3 2741 -2.496 2.893 1.053 1.00 0.00 WT3 O ATOM 39554 H1 TIP3 2741 11.595 5.767 1.859 1.00 0.00 WT3 H ATOM 39555 H2 TIP3 2741 -11.573 -3.747 6.488 1.00 0.00 WT3 H ATOM 39556 OH2 TIP3 2742 2.923 6.536 -3.388 1.00 0.00 WT3 O ATOM 39557 H1 TIP3 2742 9.033 -7.094 -18.726 1.00 0.00 WT3 H ATOM 39558 H2 TIP3 2742 -20.462 8.703 7.846 1.00 0.00 WT3 H ATOM 39559 OH2 TIP3 2743 -0.054 -4.995 -2.053 1.00 0.00 WT3 O ATOM 39560 H1 TIP3 2743 1.725 -2.202 -23.899 1.00 0.00 WT3 H ATOM 39561 H2 TIP3 2743 1.472 -3.252 1.513 1.00 0.00 WT3 H ATOM 39562 OH2 TIP3 2746 2.101 -0.032 -1.554 1.00 0.00 WT3 O ATOM 39563 H1 TIP3 2746 2.342 4.205 -4.109 1.00 0.00 WT3 H ATOM 39564 H2 TIP3 2746 3.281 7.496 -4.557 1.00 0.00 WT3 H ATOM 39565 OH2 TIP3 2748 6.482 -3.388 1.087 1.00 0.00 WT3 O ATOM 39566 H1 TIP3 2748 -12.974 -4.882 -4.925 1.00 0.00 WT3 H ATOM 39567 H2 TIP3 2748 -18.103 -5.832 -6.086 1.00 0.00 WT3 H ATOM 39568 OH2 TIP3 2752 1.492 0.658 6.162 1.00 0.00 WT3 O ATOM 39569 H1 TIP3 2752 10.793 8.784 2.018 1.00 0.00 WT3 H ATOM 39570 H2 TIP3 2752 20.526 13.436 -3.892 1.00 0.00 WT3 H ATOM 39571 OH2 TIP3 2753 4.303 -3.066 -1.797 1.00 0.00 WT3 O ATOM 39572 H1 TIP3 2753 6.399 -11.688 15.480 1.00 0.00 WT3 H ATOM 39573 H2 TIP3 2753 4.443 -8.512 -17.911 1.00 0.00 WT3 H ATOM 39574 OH2 TIP3 2754 0.307 -0.618 7.098 1.00 0.00 WT3 O ATOM 39575 H1 TIP3 2754 -5.419 3.796 10.622 1.00 0.00 WT3 H ATOM 39576 H2 TIP3 2754 -2.320 6.772 15.154 1.00 0.00 WT3 H ATOM 39577 OH2 TIP3 2755 2.479 3.351 -3.872 1.00 0.00 WT3 O ATOM 39578 H1 TIP3 2755 -1.662 -0.847 -8.214 1.00 0.00 WT3 H ATOM 39579 H2 TIP3 2755 3.583 1.978 0.746 1.00 0.00 WT3 H ATOM 39580 OH2 TIP3 2756 7.690 -3.095 6.036 1.00 0.00 WT3 O ATOM 39581 H1 TIP3 2756 -6.408 5.082 6.037 1.00 0.00 WT3 H ATOM 39582 H2 TIP3 2756 10.648 0.487 8.228 1.00 0.00 WT3 H ATOM 39583 OH2 TIP3 2757 -1.195 4.582 1.625 1.00 0.00 WT3 O ATOM 39584 H1 TIP3 2757 13.395 4.276 -21.853 1.00 0.00 WT3 H ATOM 39585 H2 TIP3 2757 -15.231 -3.828 7.837 1.00 0.00 WT3 H ATOM 39586 OH2 TIP3 2758 -4.970 -1.389 -5.187 1.00 0.00 WT3 O ATOM 39587 H1 TIP3 2758 -0.822 12.956 -30.516 1.00 0.00 WT3 H ATOM 39588 H2 TIP3 2758 -3.417 -2.477 -5.072 1.00 0.00 WT3 H ATOM 39589 OH2 TIP3 2760 2.100 -6.855 -4.029 1.00 0.00 WT3 O ATOM 39590 H1 TIP3 2760 -10.219 -25.787 5.963 1.00 0.00 WT3 H ATOM 39591 H2 TIP3 2760 5.436 1.848 -0.003 1.00 0.00 WT3 H ATOM 39592 OH2 TIP3 2762 -2.698 1.222 -3.217 1.00 0.00 WT3 O ATOM 39593 H1 TIP3 2762 -13.729 5.502 -30.982 1.00 0.00 WT3 H ATOM 39594 H2 TIP3 2762 -2.590 -11.116 0.928 1.00 0.00 WT3 H ATOM 39595 OH2 TIP3 2763 -0.636 -1.108 -0.892 1.00 0.00 WT3 O ATOM 39596 H1 TIP3 2763 -14.414 -9.325 -3.185 1.00 0.00 WT3 H ATOM 39597 H2 TIP3 2763 -3.599 2.161 -10.430 1.00 0.00 WT3 H ATOM 39598 OH2 TIP3 2764 1.226 -0.595 -4.185 1.00 0.00 WT3 O ATOM 39599 H1 TIP3 2764 -6.031 -8.731 1.983 1.00 0.00 WT3 H ATOM 39600 H2 TIP3 2764 -3.566 9.220 -3.376 1.00 0.00 WT3 H ATOM 39601 OH2 TIP3 2765 4.749 -11.583 6.587 1.00 0.00 WT3 O ATOM 39602 H1 TIP3 2765 -0.516 -1.637 -10.325 1.00 0.00 WT3 H ATOM 39603 H2 TIP3 2765 -23.936 -15.294 -3.665 1.00 0.00 WT3 H ATOM 39604 OH2 TIP3 2766 5.591 13.097 -1.313 1.00 0.00 WT3 O ATOM 39605 H1 TIP3 2766 -6.421 3.368 -5.003 1.00 0.00 WT3 H ATOM 39606 H2 TIP3 2766 9.695 9.256 9.980 1.00 0.00 WT3 H ATOM 39607 OH2 TIP3 2768 -0.509 1.329 1.085 1.00 0.00 WT3 O ATOM 39608 H1 TIP3 2768 -3.257 3.635 7.810 1.00 0.00 WT3 H ATOM 39609 H2 TIP3 2768 -4.098 -4.847 -2.337 1.00 0.00 WT3 H ATOM 39610 OH2 TIP3 2769 -2.104 -8.477 2.267 1.00 0.00 WT3 O ATOM 39611 H1 TIP3 2769 9.316 -8.497 13.873 1.00 0.00 WT3 H ATOM 39612 H2 TIP3 2769 14.154 14.513 6.521 1.00 0.00 WT3 H ATOM 39613 OH2 TIP3 2771 -6.853 -0.060 3.553 1.00 0.00 WT3 O ATOM 39614 H1 TIP3 2771 -4.965 -3.150 -2.468 1.00 0.00 WT3 H ATOM 39615 H2 TIP3 2771 -2.287 -4.775 5.697 1.00 0.00 WT3 H ATOM 39616 OH2 TIP3 2772 1.887 2.293 -2.249 1.00 0.00 WT3 O ATOM 39617 H1 TIP3 2772 33.428 10.077 14.514 1.00 0.00 WT3 H ATOM 39618 H2 TIP3 2772 10.155 11.417 -25.937 1.00 0.00 WT3 H ATOM 39619 OH2 TIP3 2774 -2.074 2.645 -5.523 1.00 0.00 WT3 O ATOM 39620 H1 TIP3 2774 -2.287 15.062 6.835 1.00 0.00 WT3 H ATOM 39621 H2 TIP3 2774 -2.689 10.952 -2.803 1.00 0.00 WT3 H ATOM 39622 OH2 TIP3 2775 0.644 -1.785 7.659 1.00 0.00 WT3 O ATOM 39623 H1 TIP3 2775 1.537 -13.270 4.137 1.00 0.00 WT3 H ATOM 39624 H2 TIP3 2775 4.810 5.982 -2.313 1.00 0.00 WT3 H ATOM 39625 OH2 TIP3 2776 -0.272 -0.361 -8.532 1.00 0.00 WT3 O ATOM 39626 H1 TIP3 2776 -0.761 32.686 -9.180 1.00 0.00 WT3 H ATOM 39627 H2 TIP3 2776 0.130 -8.044 4.432 1.00 0.00 WT3 H ATOM 39628 OH2 TIP3 2777 3.402 0.202 0.102 1.00 0.00 WT3 O ATOM 39629 H1 TIP3 2777 4.731 1.060 -5.648 1.00 0.00 WT3 H ATOM 39630 H2 TIP3 2777 14.575 -1.703 -5.753 1.00 0.00 WT3 H ATOM 39631 OH2 TIP3 2778 5.159 -2.806 2.552 1.00 0.00 WT3 O ATOM 39632 H1 TIP3 2778 6.326 -13.750 -22.583 1.00 0.00 WT3 H ATOM 39633 H2 TIP3 2778 26.003 -2.318 11.416 1.00 0.00 WT3 H ATOM 39634 OH2 TIP3 2779 -0.457 -5.316 1.197 1.00 0.00 WT3 O ATOM 39635 H1 TIP3 2779 -11.632 24.581 13.100 1.00 0.00 WT3 H ATOM 39636 H2 TIP3 2779 3.142 10.887 13.596 1.00 0.00 WT3 H ATOM 39637 OH2 TIP3 2780 -1.395 -4.015 1.298 1.00 0.00 WT3 O ATOM 39638 H1 TIP3 2780 6.345 -2.838 -0.639 1.00 0.00 WT3 H ATOM 39639 H2 TIP3 2780 2.304 12.566 9.810 1.00 0.00 WT3 H ATOM 39640 OH2 TIP3 2782 2.225 5.480 3.301 1.00 0.00 WT3 O ATOM 39641 H1 TIP3 2782 -0.040 15.131 13.045 1.00 0.00 WT3 H ATOM 39642 H2 TIP3 2782 -6.341 5.929 3.039 1.00 0.00 WT3 H ATOM 39643 OH2 TIP3 2783 -1.803 1.159 0.649 1.00 0.00 WT3 O ATOM 39644 H1 TIP3 2783 2.206 3.318 -2.275 1.00 0.00 WT3 H ATOM 39645 H2 TIP3 2783 -7.283 7.749 0.063 1.00 0.00 WT3 H ATOM 39646 OH2 TIP3 2784 -2.179 -0.028 -5.344 1.00 0.00 WT3 O ATOM 39647 H1 TIP3 2784 -0.672 -3.164 3.031 1.00 0.00 WT3 H ATOM 39648 H2 TIP3 2784 -4.621 2.926 -14.473 1.00 0.00 WT3 H ATOM 39649 OH2 TIP3 2785 1.593 1.023 -1.353 1.00 0.00 WT3 O ATOM 39650 H1 TIP3 2785 6.992 -9.440 -10.901 1.00 0.00 WT3 H ATOM 39651 H2 TIP3 2785 -7.695 3.532 -19.056 1.00 0.00 WT3 H ATOM 39652 OH2 TIP3 2786 4.600 0.199 0.034 1.00 0.00 WT3 O ATOM 39653 H1 TIP3 2786 1.044 -19.295 -17.157 1.00 0.00 WT3 H ATOM 39654 H2 TIP3 2786 27.057 11.354 -5.675 1.00 0.00 WT3 H ATOM 39655 OH2 TIP3 2791 -2.294 -1.147 -6.565 1.00 0.00 WT3 O ATOM 39656 H1 TIP3 2791 -17.017 -6.437 -12.691 1.00 0.00 WT3 H ATOM 39657 H2 TIP3 2791 7.427 2.651 -1.859 1.00 0.00 WT3 H ATOM 39658 OH2 TIP3 2792 2.293 -1.762 -2.210 1.00 0.00 WT3 O ATOM 39659 H1 TIP3 2792 4.657 -3.256 -5.323 1.00 0.00 WT3 H ATOM 39660 H2 TIP3 2792 -9.155 -3.229 10.139 1.00 0.00 WT3 H ATOM 39661 OH2 TIP3 2794 3.374 -1.291 2.064 1.00 0.00 WT3 O ATOM 39662 H1 TIP3 2794 -4.802 -4.017 1.386 1.00 0.00 WT3 H ATOM 39663 H2 TIP3 2794 2.258 0.457 -9.792 1.00 0.00 WT3 H ATOM 39664 OH2 TIP3 2795 -0.613 2.474 -3.261 1.00 0.00 WT3 O ATOM 39665 H1 TIP3 2795 -16.866 9.185 -1.443 1.00 0.00 WT3 H ATOM 39666 H2 TIP3 2795 -20.622 3.781 -9.389 1.00 0.00 WT3 H ATOM 39667 OH2 TIP3 2797 -5.168 0.074 -6.105 1.00 0.00 WT3 O ATOM 39668 H1 TIP3 2797 -0.891 18.993 -11.599 1.00 0.00 WT3 H ATOM 39669 H2 TIP3 2797 8.188 -11.432 -11.358 1.00 0.00 WT3 H ATOM 39670 OH2 TIP3 2799 4.667 -1.929 4.954 1.00 0.00 WT3 O ATOM 39671 H1 TIP3 2799 8.040 -5.231 0.052 1.00 0.00 WT3 H ATOM 39672 H2 TIP3 2799 14.079 4.431 4.217 1.00 0.00 WT3 H ATOM 39673 OH2 TIP3 2800 -0.461 0.117 5.518 1.00 0.00 WT3 O ATOM 39674 H1 TIP3 2800 15.349 -6.913 0.348 1.00 0.00 WT3 H ATOM 39675 H2 TIP3 2800 8.584 -4.633 4.972 1.00 0.00 WT3 H ATOM 39676 OH2 TIP3 2801 0.432 -0.456 -8.139 1.00 0.00 WT3 O ATOM 39677 H1 TIP3 2801 -12.254 -2.017 -10.107 1.00 0.00 WT3 H ATOM 39678 H2 TIP3 2801 -9.555 10.252 -19.852 1.00 0.00 WT3 H ATOM 39679 OH2 TIP3 2804 9.072 -2.429 -1.506 1.00 0.00 WT3 O ATOM 39680 H1 TIP3 2804 9.820 -4.409 -10.466 1.00 0.00 WT3 H ATOM 39681 H2 TIP3 2804 3.107 7.012 9.090 1.00 0.00 WT3 H ATOM 39682 OH2 TIP3 2805 6.619 -4.605 -6.976 1.00 0.00 WT3 O ATOM 39683 H1 TIP3 2805 9.503 3.304 4.101 1.00 0.00 WT3 H ATOM 39684 H2 TIP3 2805 10.891 12.114 12.899 1.00 0.00 WT3 H ATOM 39685 OH2 TIP3 2806 -7.311 -2.385 -3.899 1.00 0.00 WT3 O ATOM 39686 H1 TIP3 2806 28.073 19.950 -26.549 1.00 0.00 WT3 H ATOM 39687 H2 TIP3 2806 15.994 6.638 11.794 1.00 0.00 WT3 H ATOM 39688 OH2 TIP3 2808 -0.116 4.176 3.534 1.00 0.00 WT3 O ATOM 39689 H1 TIP3 2808 -6.215 17.326 15.596 1.00 0.00 WT3 H ATOM 39690 H2 TIP3 2808 17.612 15.041 -10.585 1.00 0.00 WT3 H ATOM 39691 OH2 TIP3 2809 2.000 -5.715 -6.872 1.00 0.00 WT3 O ATOM 39692 H1 TIP3 2809 -11.006 -29.577 -20.317 1.00 0.00 WT3 H ATOM 39693 H2 TIP3 2809 -2.390 12.463 -0.190 1.00 0.00 WT3 H ATOM 39694 OH2 TIP3 2810 9.064 7.862 2.635 1.00 0.00 WT3 O ATOM 39695 H1 TIP3 2810 21.552 -5.211 -7.424 1.00 0.00 WT3 H ATOM 39696 H2 TIP3 2810 -21.429 10.224 -7.379 1.00 0.00 WT3 H ATOM 39697 OH2 TIP3 2811 -0.721 6.399 2.480 1.00 0.00 WT3 O ATOM 39698 H1 TIP3 2811 1.323 3.985 13.604 1.00 0.00 WT3 H ATOM 39699 H2 TIP3 2811 -8.930 21.897 11.407 1.00 0.00 WT3 H ATOM 39700 OH2 TIP3 2813 1.796 -2.947 0.444 1.00 0.00 WT3 O ATOM 39701 H1 TIP3 2813 -8.096 3.871 14.186 1.00 0.00 WT3 H ATOM 39702 H2 TIP3 2813 -2.885 4.184 10.406 1.00 0.00 WT3 H ATOM 39703 OH2 TIP3 2815 -2.669 3.024 2.766 1.00 0.00 WT3 O ATOM 39704 H1 TIP3 2815 -3.244 -7.723 1.701 1.00 0.00 WT3 H ATOM 39705 H2 TIP3 2815 -0.951 1.051 -11.733 1.00 0.00 WT3 H ATOM 39706 OH2 TIP3 2817 -0.043 -1.643 -4.807 1.00 0.00 WT3 O ATOM 39707 H1 TIP3 2817 14.397 5.054 -9.857 1.00 0.00 WT3 H ATOM 39708 H2 TIP3 2817 -9.694 0.673 -18.061 1.00 0.00 WT3 H ATOM 39709 OH2 TIP3 2818 4.651 4.193 -2.414 1.00 0.00 WT3 O ATOM 39710 H1 TIP3 2818 -5.308 1.026 1.965 1.00 0.00 WT3 H ATOM 39711 H2 TIP3 2818 9.772 -7.257 -4.122 1.00 0.00 WT3 H ATOM 39712 OH2 TIP3 2820 4.543 -6.301 1.160 1.00 0.00 WT3 O ATOM 39713 H1 TIP3 2820 1.648 -9.393 -2.425 1.00 0.00 WT3 H ATOM 39714 H2 TIP3 2820 5.951 -1.399 11.507 1.00 0.00 WT3 H ATOM 39715 OH2 TIP3 2821 -1.224 -6.310 -5.502 1.00 0.00 WT3 O ATOM 39716 H1 TIP3 2821 -35.406 11.070 -17.961 1.00 0.00 WT3 H ATOM 39717 H2 TIP3 2821 -20.427 4.217 -25.027 1.00 0.00 WT3 H ATOM 39718 OH2 TIP3 2824 -4.220 -1.649 5.819 1.00 0.00 WT3 O ATOM 39719 H1 TIP3 2824 -18.955 9.418 3.737 1.00 0.00 WT3 H ATOM 39720 H2 TIP3 2824 -16.192 11.938 -8.747 1.00 0.00 WT3 H ATOM 39721 OH2 TIP3 2825 -1.913 0.522 8.577 1.00 0.00 WT3 O ATOM 39722 H1 TIP3 2825 -12.706 -10.263 6.980 1.00 0.00 WT3 H ATOM 39723 H2 TIP3 2825 -11.790 17.719 12.692 1.00 0.00 WT3 H ATOM 39724 OH2 TIP3 2826 -8.993 -3.495 3.609 1.00 0.00 WT3 O ATOM 39725 H1 TIP3 2826 -2.613 8.076 4.805 1.00 0.00 WT3 H ATOM 39726 H2 TIP3 2826 -15.049 -4.708 -2.505 1.00 0.00 WT3 H ATOM 39727 OH2 TIP3 2827 -1.389 -3.882 6.216 1.00 0.00 WT3 O ATOM 39728 H1 TIP3 2827 -2.970 -2.669 -7.436 1.00 0.00 WT3 H ATOM 39729 H2 TIP3 2827 -0.483 8.502 11.370 1.00 0.00 WT3 H ATOM 39730 OH2 TIP3 2829 -1.346 6.085 -2.933 1.00 0.00 WT3 O ATOM 39731 H1 TIP3 2829 -4.887 3.116 -10.461 1.00 0.00 WT3 H ATOM 39732 H2 TIP3 2829 2.910 8.420 11.408 1.00 0.00 WT3 H ATOM 39733 OH2 TIP3 2830 -3.590 -4.815 -5.370 1.00 0.00 WT3 O ATOM 39734 H1 TIP3 2830 12.341 -7.010 15.064 1.00 0.00 WT3 H ATOM 39735 H2 TIP3 2830 0.085 -4.440 -8.266 1.00 0.00 WT3 H ATOM 39736 OH2 TIP3 2831 -8.994 -2.983 7.756 1.00 0.00 WT3 O ATOM 39737 H1 TIP3 2831 -0.389 17.393 23.275 1.00 0.00 WT3 H ATOM 39738 H2 TIP3 2831 12.554 9.890 -6.551 1.00 0.00 WT3 H ATOM 39739 OH2 TIP3 2832 -2.419 -5.123 -0.548 1.00 0.00 WT3 O ATOM 39740 H1 TIP3 2832 -13.699 -8.862 20.266 1.00 0.00 WT3 H ATOM 39741 H2 TIP3 2832 -18.787 -14.694 -9.156 1.00 0.00 WT3 H ATOM 39742 OH2 TIP3 2833 2.267 -3.978 2.080 1.00 0.00 WT3 O ATOM 39743 H1 TIP3 2833 -13.220 -5.401 -11.093 1.00 0.00 WT3 H ATOM 39744 H2 TIP3 2833 4.346 1.960 -15.121 1.00 0.00 WT3 H ATOM 39745 OH2 TIP3 2834 0.353 -0.046 1.038 1.00 0.00 WT3 O ATOM 39746 H1 TIP3 2834 0.212 5.354 -7.567 1.00 0.00 WT3 H ATOM 39747 H2 TIP3 2834 -0.955 -9.021 -1.496 1.00 0.00 WT3 H ATOM 39748 OH2 TIP3 2835 -0.223 -3.254 -4.102 1.00 0.00 WT3 O ATOM 39749 H1 TIP3 2835 23.098 -31.233 -11.640 1.00 0.00 WT3 H ATOM 39750 H2 TIP3 2835 -21.473 35.369 14.051 1.00 0.00 WT3 H ATOM 39751 OH2 TIP3 2836 2.667 -5.421 0.260 1.00 0.00 WT3 O ATOM 39752 H1 TIP3 2836 1.131 -6.132 -4.627 1.00 0.00 WT3 H ATOM 39753 H2 TIP3 2836 2.706 -2.309 8.640 1.00 0.00 WT3 H ATOM 39754 OH2 TIP3 2837 2.779 4.771 0.084 1.00 0.00 WT3 O ATOM 39755 H1 TIP3 2837 -10.649 1.861 -6.432 1.00 0.00 WT3 H ATOM 39756 H2 TIP3 2837 -4.644 4.319 -3.078 1.00 0.00 WT3 H ATOM 39757 OH2 TIP3 2842 6.261 1.508 -4.800 1.00 0.00 WT3 O ATOM 39758 H1 TIP3 2842 17.427 10.380 -20.421 1.00 0.00 WT3 H ATOM 39759 H2 TIP3 2842 12.511 12.681 12.382 1.00 0.00 WT3 H ATOM 39760 OH2 TIP3 2843 -2.358 0.334 -3.558 1.00 0.00 WT3 O ATOM 39761 H1 TIP3 2843 -7.472 20.301 -23.040 1.00 0.00 WT3 H ATOM 39762 H2 TIP3 2843 -13.304 -2.724 -6.031 1.00 0.00 WT3 H ATOM 39763 OH2 TIP3 2844 -3.002 -4.332 -5.348 1.00 0.00 WT3 O ATOM 39764 H1 TIP3 2844 -7.903 -14.617 -17.646 1.00 0.00 WT3 H ATOM 39765 H2 TIP3 2844 -5.664 -10.778 -12.320 1.00 0.00 WT3 H ATOM 39766 OH2 TIP3 2845 -5.591 -8.072 -1.476 1.00 0.00 WT3 O ATOM 39767 H1 TIP3 2845 -30.242 3.620 -3.224 1.00 0.00 WT3 H ATOM 39768 H2 TIP3 2845 -0.754 -4.474 4.701 1.00 0.00 WT3 H ATOM 39769 OH2 TIP3 2846 2.023 2.268 6.055 1.00 0.00 WT3 O ATOM 39770 H1 TIP3 2846 -1.260 10.960 18.944 1.00 0.00 WT3 H ATOM 39771 H2 TIP3 2846 39.819 -2.577 -12.069 1.00 0.00 WT3 H ATOM 39772 OH2 TIP3 2847 1.339 0.521 1.163 1.00 0.00 WT3 O ATOM 39773 H1 TIP3 2847 -2.461 1.715 8.815 1.00 0.00 WT3 H ATOM 39774 H2 TIP3 2847 3.176 4.189 -4.925 1.00 0.00 WT3 H ATOM 39775 OH2 TIP3 2849 -2.744 1.527 -3.985 1.00 0.00 WT3 O ATOM 39776 H1 TIP3 2849 9.904 -1.530 -18.310 1.00 0.00 WT3 H ATOM 39777 H2 TIP3 2849 19.899 34.639 4.423 1.00 0.00 WT3 H ATOM 39778 OH2 TIP3 2852 6.478 2.422 8.432 1.00 0.00 WT3 O ATOM 39779 H1 TIP3 2852 0.708 0.426 -0.825 1.00 0.00 WT3 H ATOM 39780 H2 TIP3 2852 5.772 3.060 8.172 1.00 0.00 WT3 H ATOM 39781 OH2 TIP3 2855 -6.976 -2.958 -0.291 1.00 0.00 WT3 O ATOM 39782 H1 TIP3 2855 -17.456 7.776 4.978 1.00 0.00 WT3 H ATOM 39783 H2 TIP3 2855 7.375 7.547 4.397 1.00 0.00 WT3 H ATOM 39784 OH2 TIP3 2856 3.441 -2.379 -0.170 1.00 0.00 WT3 O ATOM 39785 H1 TIP3 2856 -6.474 -35.123 -7.831 1.00 0.00 WT3 H ATOM 39786 H2 TIP3 2856 13.848 14.904 -25.956 1.00 0.00 WT3 H ATOM 39787 OH2 TIP3 2857 -1.040 -1.094 -1.604 1.00 0.00 WT3 O ATOM 39788 H1 TIP3 2857 -5.207 3.710 3.113 1.00 0.00 WT3 H ATOM 39789 H2 TIP3 2857 -1.919 5.009 -0.167 1.00 0.00 WT3 H ATOM 39790 OH2 TIP3 2862 8.273 -6.602 -0.921 1.00 0.00 WT3 O ATOM 39791 H1 TIP3 2862 0.425 -19.628 8.944 1.00 0.00 WT3 H ATOM 39792 H2 TIP3 2862 30.053 -18.453 -8.837 1.00 0.00 WT3 H ATOM 39793 OH2 TIP3 2865 3.466 -1.002 1.682 1.00 0.00 WT3 O ATOM 39794 H1 TIP3 2865 -9.548 -8.750 7.494 1.00 0.00 WT3 H ATOM 39795 H2 TIP3 2865 -12.105 -12.263 15.538 1.00 0.00 WT3 H ATOM 39796 OH2 TIP3 2866 -1.293 -2.167 -1.677 1.00 0.00 WT3 O ATOM 39797 H1 TIP3 2866 41.613 13.847 10.860 1.00 0.00 WT3 H ATOM 39798 H2 TIP3 2866 -15.339 -7.704 -4.426 1.00 0.00 WT3 H ATOM 39799 OH2 TIP3 2868 5.453 1.172 -2.160 1.00 0.00 WT3 O ATOM 39800 H1 TIP3 2868 27.735 6.325 24.760 1.00 0.00 WT3 H ATOM 39801 H2 TIP3 2868 -0.693 4.887 -0.551 1.00 0.00 WT3 H ATOM 39802 OH2 TIP3 2872 -5.550 0.475 1.580 1.00 0.00 WT3 O ATOM 39803 H1 TIP3 2872 -3.724 24.872 -13.400 1.00 0.00 WT3 H ATOM 39804 H2 TIP3 2872 -8.899 -7.613 5.965 1.00 0.00 WT3 H ATOM 39805 OH2 TIP3 2873 -2.105 4.291 2.890 1.00 0.00 WT3 O ATOM 39806 H1 TIP3 2873 9.886 5.452 11.020 1.00 0.00 WT3 H ATOM 39807 H2 TIP3 2873 -5.795 5.344 1.060 1.00 0.00 WT3 H ATOM 39808 OH2 TIP3 2874 1.607 -2.874 -3.180 1.00 0.00 WT3 O ATOM 39809 H1 TIP3 2874 3.896 -0.835 2.177 1.00 0.00 WT3 H ATOM 39810 H2 TIP3 2874 -18.551 -20.919 12.879 1.00 0.00 WT3 H ATOM 39811 OH2 TIP3 2875 1.120 2.429 -3.672 1.00 0.00 WT3 O ATOM 39812 H1 TIP3 2875 16.750 5.168 5.589 1.00 0.00 WT3 H ATOM 39813 H2 TIP3 2875 -13.958 -21.211 14.377 1.00 0.00 WT3 H ATOM 39814 OH2 TIP3 2876 -5.453 -0.269 1.289 1.00 0.00 WT3 O ATOM 39815 H1 TIP3 2876 0.907 -11.239 1.613 1.00 0.00 WT3 H ATOM 39816 H2 TIP3 2876 4.612 -16.128 4.831 1.00 0.00 WT3 H ATOM 39817 OH2 TIP3 2877 1.444 -2.713 -1.053 1.00 0.00 WT3 O ATOM 39818 H1 TIP3 2877 9.175 -31.336 -20.450 1.00 0.00 WT3 H ATOM 39819 H2 TIP3 2877 -4.814 1.867 3.831 1.00 0.00 WT3 H ATOM 39820 OH2 TIP3 2878 -2.838 -5.834 1.008 1.00 0.00 WT3 O ATOM 39821 H1 TIP3 2878 24.398 14.300 -6.553 1.00 0.00 WT3 H ATOM 39822 H2 TIP3 2878 -14.130 -12.252 5.062 1.00 0.00 WT3 H ATOM 39823 OH2 TIP3 2885 7.387 -0.951 -4.200 1.00 0.00 WT3 O ATOM 39824 H1 TIP3 2885 21.169 -21.183 -0.476 1.00 0.00 WT3 H ATOM 39825 H2 TIP3 2885 9.767 -0.384 -3.257 1.00 0.00 WT3 H ATOM 39826 OH2 TIP3 2889 5.582 -0.843 -0.297 1.00 0.00 WT3 O ATOM 39827 H1 TIP3 2889 15.731 -12.511 -1.275 1.00 0.00 WT3 H ATOM 39828 H2 TIP3 2889 -3.016 9.985 8.699 1.00 0.00 WT3 H ATOM 39829 OH2 TIP3 2895 -2.778 2.156 1.730 1.00 0.00 WT3 O ATOM 39830 H1 TIP3 2895 -10.972 6.366 -7.098 1.00 0.00 WT3 H ATOM 39831 H2 TIP3 2895 -4.134 -11.313 2.344 1.00 0.00 WT3 H ATOM 39832 OH2 TIP3 2907 0.116 1.419 1.111 1.00 0.00 WT3 O ATOM 39833 H1 TIP3 2907 1.779 3.098 -6.630 1.00 0.00 WT3 H ATOM 39834 H2 TIP3 2907 -27.654 1.381 -1.555 1.00 0.00 WT3 H ATOM 39835 OH2 TIP3 2910 3.674 1.915 3.625 1.00 0.00 WT3 O ATOM 39836 H1 TIP3 2910 6.908 -5.858 11.811 1.00 0.00 WT3 H ATOM 39837 H2 TIP3 2910 12.184 7.363 1.837 1.00 0.00 WT3 H ATOM 39838 OH2 TIP3 2913 -3.495 -3.232 -0.523 1.00 0.00 WT3 O ATOM 39839 H1 TIP3 2913 -7.527 -3.579 -2.635 1.00 0.00 WT3 H ATOM 39840 H2 TIP3 2913 42.297 -8.268 9.953 1.00 0.00 WT3 H ATOM 39841 OH2 TIP3 2926 -2.364 -6.854 1.987 1.00 0.00 WT3 O ATOM 39842 H1 TIP3 2926 -11.451 -0.114 -9.404 1.00 0.00 WT3 H ATOM 39843 H2 TIP3 2926 -1.267 -18.891 -1.118 1.00 0.00 WT3 H ATOM 39844 OH2 TIP3 2944 1.942 -1.175 2.785 1.00 0.00 WT3 O ATOM 39845 H1 TIP3 2944 -19.788 6.569 3.270 1.00 0.00 WT3 H ATOM 39846 H2 TIP3 2944 8.747 -22.016 -10.053 1.00 0.00 WT3 H ATOM 39847 OH2 TIP3 2957 -4.581 -4.698 0.726 1.00 0.00 WT3 O ATOM 39848 H1 TIP3 2957 19.476 -23.161 -4.436 1.00 0.00 WT3 H ATOM 39849 H2 TIP3 2957 11.767 -0.165 -7.798 1.00 0.00 WT3 H ATOM 39850 OH2 TIP3 3010 4.521 -0.675 -0.791 1.00 0.00 WT3 O ATOM 39851 H1 TIP3 3010 21.248 -3.274 -47.820 1.00 0.00 WT3 H ATOM 39852 H2 TIP3 3010 8.149 -2.588 -9.363 1.00 0.00 WT3 H ATOM 39853 OH2 TIP3 3012 3.072 -0.887 3.437 1.00 0.00 WT3 O ATOM 39854 H1 TIP3 3012 -16.994 -2.576 -6.596 1.00 0.00 WT3 H ATOM 39855 H2 TIP3 3012 13.716 -10.813 13.313 1.00 0.00 WT3 H ATOM 39856 OH2 TIP3 3016 -6.627 2.982 2.118 1.00 0.00 WT3 O ATOM 39857 H1 TIP3 3016 -11.740 -9.196 8.639 1.00 0.00 WT3 H ATOM 39858 H2 TIP3 3016 -16.535 13.019 7.267 1.00 0.00 WT3 H ATOM 39859 OH2 TIP3 3024 -1.938 -4.522 1.874 1.00 0.00 WT3 O ATOM 39860 H1 TIP3 3024 5.347 1.760 17.896 1.00 0.00 WT3 H ATOM 39861 H2 TIP3 3024 11.394 14.292 11.467 1.00 0.00 WT3 H ATOM 39862 OH2 TIP3 3027 1.382 1.131 -6.653 1.00 0.00 WT3 O ATOM 39863 H1 TIP3 3027 -8.066 3.315 7.808 1.00 0.00 WT3 H ATOM 39864 H2 TIP3 3027 -1.360 12.339 4.695 1.00 0.00 WT3 H ATOM 39865 OH2 TIP3 3030 1.244 -2.347 2.357 1.00 0.00 WT3 O ATOM 39866 H1 TIP3 3030 16.607 3.209 10.334 1.00 0.00 WT3 H ATOM 39867 H2 TIP3 3030 9.661 0.111 16.324 1.00 0.00 WT3 H ATOM 39868 OH2 TIP3 3037 0.394 -3.386 -0.737 1.00 0.00 WT3 O ATOM 39869 H1 TIP3 3037 2.722 -8.983 10.049 1.00 0.00 WT3 H ATOM 39870 H2 TIP3 3037 15.280 0.595 20.288 1.00 0.00 WT3 H ATOM 39871 OH2 TIP3 3042 3.276 -0.636 -2.667 1.00 0.00 WT3 O ATOM 39872 H1 TIP3 3042 0.008 -4.823 -4.600 1.00 0.00 WT3 H ATOM 39873 H2 TIP3 3042 3.737 -0.658 -3.393 1.00 0.00 WT3 H ATOM 39874 OH2 TIP3 3046 -9.339 -2.757 -5.148 1.00 0.00 WT3 O ATOM 39875 H1 TIP3 3046 18.855 -12.445 10.772 1.00 0.00 WT3 H ATOM 39876 H2 TIP3 3046 -23.502 19.192 14.765 1.00 0.00 WT3 H ATOM 39877 OH2 TIP3 3049 -6.828 -4.734 2.662 1.00 0.00 WT3 O ATOM 39878 H1 TIP3 3049 -3.740 12.390 16.533 1.00 0.00 WT3 H ATOM 39879 H2 TIP3 3049 16.817 5.557 18.477 1.00 0.00 WT3 H ATOM 39880 OH2 TIP3 3050 3.282 -2.044 -1.297 1.00 0.00 WT3 O ATOM 39881 H1 TIP3 3050 22.042 -5.364 -6.973 1.00 0.00 WT3 H ATOM 39882 H2 TIP3 3050 2.382 -0.168 -1.011 1.00 0.00 WT3 H ATOM 39883 OH2 TIP3 3053 -3.806 4.095 0.375 1.00 0.00 WT3 O ATOM 39884 H1 TIP3 3053 -16.784 -4.258 1.310 1.00 0.00 WT3 H ATOM 39885 H2 TIP3 3053 -7.458 10.041 14.763 1.00 0.00 WT3 H ATOM 39886 OH2 TIP3 3057 4.978 -3.139 3.985 1.00 0.00 WT3 O ATOM 39887 H1 TIP3 3057 -32.835 9.984 8.080 1.00 0.00 WT3 H ATOM 39888 H2 TIP3 3057 -4.544 0.273 9.345 1.00 0.00 WT3 H ATOM 39889 OH2 TIP3 3059 2.744 4.647 2.836 1.00 0.00 WT3 O ATOM 39890 H1 TIP3 3059 1.614 -16.880 -6.320 1.00 0.00 WT3 H ATOM 39891 H2 TIP3 3059 5.292 5.059 5.404 1.00 0.00 WT3 H ATOM 39892 OH2 TIP3 3066 4.811 4.082 3.526 1.00 0.00 WT3 O ATOM 39893 H1 TIP3 3066 36.739 9.511 -4.816 1.00 0.00 WT3 H ATOM 39894 H2 TIP3 3066 -16.075 1.470 22.706 1.00 0.00 WT3 H ATOM 39895 OH2 TIP3 3070 -1.707 5.441 -0.861 1.00 0.00 WT3 O ATOM 39896 H1 TIP3 3070 3.408 -11.308 8.742 1.00 0.00 WT3 H ATOM 39897 H2 TIP3 3070 0.657 -30.785 2.063 1.00 0.00 WT3 H ATOM 39898 OH2 TIP3 3071 0.991 4.499 2.047 1.00 0.00 WT3 O ATOM 39899 H1 TIP3 3071 -7.022 9.594 -12.238 1.00 0.00 WT3 H ATOM 39900 H2 TIP3 3071 4.777 -10.448 3.406 1.00 0.00 WT3 H ATOM 39901 OH2 TIP3 3072 3.002 1.357 3.279 1.00 0.00 WT3 O ATOM 39902 H1 TIP3 3072 -13.176 14.364 -1.115 1.00 0.00 WT3 H ATOM 39903 H2 TIP3 3072 -3.190 1.540 2.531 1.00 0.00 WT3 H ATOM 39904 OH2 TIP3 3073 3.179 -0.874 1.919 1.00 0.00 WT3 O ATOM 39905 H1 TIP3 3073 -2.356 8.484 -6.774 1.00 0.00 WT3 H ATOM 39906 H2 TIP3 3073 4.274 -0.553 5.023 1.00 0.00 WT3 H ATOM 39907 OH2 TIP3 3079 -1.871 6.261 0.971 1.00 0.00 WT3 O ATOM 39908 H1 TIP3 3079 2.385 9.308 0.115 1.00 0.00 WT3 H ATOM 39909 H2 TIP3 3079 -16.735 15.383 1.592 1.00 0.00 WT3 H ATOM 39910 OH2 TIP3 3080 -4.637 1.448 -3.598 1.00 0.00 WT3 O ATOM 39911 H1 TIP3 3080 -1.527 -1.299 17.536 1.00 0.00 WT3 H ATOM 39912 H2 TIP3 3080 -5.667 4.279 -30.136 1.00 0.00 WT3 H ATOM 39913 OH2 TIP3 3081 -5.109 -1.930 -3.955 1.00 0.00 WT3 O ATOM 39914 H1 TIP3 3081 -7.749 -11.380 -4.738 1.00 0.00 WT3 H ATOM 39915 H2 TIP3 3081 -2.297 14.163 19.106 1.00 0.00 WT3 H ATOM 39916 OH2 TIP3 3084 0.373 -4.241 -3.409 1.00 0.00 WT3 O ATOM 39917 H1 TIP3 3084 6.504 -7.117 -4.644 1.00 0.00 WT3 H ATOM 39918 H2 TIP3 3084 12.701 -11.471 10.502 1.00 0.00 WT3 H ATOM 39919 OH2 TIP3 3085 7.701 2.886 5.082 1.00 0.00 WT3 O ATOM 39920 H1 TIP3 3085 22.957 22.412 25.262 1.00 0.00 WT3 H ATOM 39921 H2 TIP3 3085 -5.110 -7.679 -2.718 1.00 0.00 WT3 H ATOM 39922 OH2 TIP3 3086 -3.062 3.303 -2.481 1.00 0.00 WT3 O ATOM 39923 H1 TIP3 3086 -2.252 -7.749 -9.257 1.00 0.00 WT3 H ATOM 39924 H2 TIP3 3086 -9.099 28.390 2.118 1.00 0.00 WT3 H ATOM 39925 OH2 TIP3 3091 -1.003 4.709 -5.475 1.00 0.00 WT3 O ATOM 39926 H1 TIP3 3091 1.214 5.752 -4.744 1.00 0.00 WT3 H ATOM 39927 H2 TIP3 3091 -12.754 -12.572 -10.511 1.00 0.00 WT3 H ATOM 39928 OH2 TIP3 3092 -2.490 2.656 2.933 1.00 0.00 WT3 O ATOM 39929 H1 TIP3 3092 0.211 2.951 4.134 1.00 0.00 WT3 H ATOM 39930 H2 TIP3 3092 10.064 12.486 29.333 1.00 0.00 WT3 H ATOM 39931 OH2 TIP3 3095 -0.138 -0.079 0.629 1.00 0.00 WT3 O ATOM 39932 H1 TIP3 3095 -0.932 17.148 -14.507 1.00 0.00 WT3 H ATOM 39933 H2 TIP3 3095 -6.970 -7.594 -6.231 1.00 0.00 WT3 H ATOM 39934 OH2 TIP3 3096 -0.560 1.603 -3.932 1.00 0.00 WT3 O ATOM 39935 H1 TIP3 3096 3.290 1.278 -2.966 1.00 0.00 WT3 H ATOM 39936 H2 TIP3 3096 -27.017 -3.549 -3.905 1.00 0.00 WT3 H ATOM 39937 OH2 TIP3 3099 5.223 0.357 0.401 1.00 0.00 WT3 O ATOM 39938 H1 TIP3 3099 8.561 3.681 -0.941 1.00 0.00 WT3 H ATOM 39939 H2 TIP3 3099 6.780 -4.003 9.441 1.00 0.00 WT3 H ATOM 39940 OH2 TIP3 3101 -1.026 4.363 4.984 1.00 0.00 WT3 O ATOM 39941 H1 TIP3 3101 7.150 -10.311 2.353 1.00 0.00 WT3 H ATOM 39942 H2 TIP3 3101 -13.175 0.594 15.207 1.00 0.00 WT3 H ATOM 39943 OH2 TIP3 3103 2.654 -3.686 -1.844 1.00 0.00 WT3 O ATOM 39944 H1 TIP3 3103 -9.255 -6.646 13.328 1.00 0.00 WT3 H ATOM 39945 H2 TIP3 3103 5.679 -15.025 -5.349 1.00 0.00 WT3 H ATOM 39946 OH2 TIP3 3104 3.101 6.304 2.464 1.00 0.00 WT3 O ATOM 39947 H1 TIP3 3104 18.568 6.628 13.971 1.00 0.00 WT3 H ATOM 39948 H2 TIP3 3104 -33.097 9.724 -18.550 1.00 0.00 WT3 H ATOM 39949 OH2 TIP3 3105 10.504 -1.552 2.153 1.00 0.00 WT3 O ATOM 39950 H1 TIP3 3105 -8.978 1.749 -10.820 1.00 0.00 WT3 H ATOM 39951 H2 TIP3 3105 -24.875 0.225 7.122 1.00 0.00 WT3 H ATOM 39952 OH2 TIP3 3107 -2.407 0.896 0.680 1.00 0.00 WT3 O ATOM 39953 H1 TIP3 3107 -10.970 -3.339 2.243 1.00 0.00 WT3 H ATOM 39954 H2 TIP3 3107 -9.692 8.740 -1.510 1.00 0.00 WT3 H ATOM 39955 OH2 TIP3 3108 -0.060 3.509 -7.516 1.00 0.00 WT3 O ATOM 39956 H1 TIP3 3108 2.092 12.534 -16.446 1.00 0.00 WT3 H ATOM 39957 H2 TIP3 3108 5.781 -6.928 -19.357 1.00 0.00 WT3 H ATOM 39958 OH2 TIP3 3109 1.311 0.642 -1.993 1.00 0.00 WT3 O ATOM 39959 H1 TIP3 3109 -11.616 13.651 12.878 1.00 0.00 WT3 H ATOM 39960 H2 TIP3 3109 -1.204 -0.570 1.188 1.00 0.00 WT3 H ATOM 39961 OH2 TIP3 3111 3.916 3.197 -0.970 1.00 0.00 WT3 O ATOM 39962 H1 TIP3 3111 -10.655 9.420 -7.648 1.00 0.00 WT3 H ATOM 39963 H2 TIP3 3111 46.997 -7.099 -3.351 1.00 0.00 WT3 H ATOM 39964 OH2 TIP3 3112 -0.213 -10.362 0.446 1.00 0.00 WT3 O ATOM 39965 H1 TIP3 3112 11.153 14.146 3.596 1.00 0.00 WT3 H ATOM 39966 H2 TIP3 3112 13.534 1.576 2.031 1.00 0.00 WT3 H ATOM 39967 OH2 TIP3 3113 -4.355 4.492 -4.264 1.00 0.00 WT3 O ATOM 39968 H1 TIP3 3113 -5.230 4.020 -10.464 1.00 0.00 WT3 H ATOM 39969 H2 TIP3 3113 -3.266 -0.985 -2.398 1.00 0.00 WT3 H ATOM 39970 OH2 TIP3 3114 5.865 -2.981 -6.319 1.00 0.00 WT3 O ATOM 39971 H1 TIP3 3114 -7.498 23.305 -31.447 1.00 0.00 WT3 H ATOM 39972 H2 TIP3 3114 1.768 -3.478 -2.047 1.00 0.00 WT3 H ATOM 39973 OH2 TIP3 3115 -5.056 4.454 -2.651 1.00 0.00 WT3 O ATOM 39974 H1 TIP3 3115 23.815 4.059 1.682 1.00 0.00 WT3 H ATOM 39975 H2 TIP3 3115 -16.811 2.451 -7.936 1.00 0.00 WT3 H ATOM 39976 OH2 TIP3 3116 -6.351 6.720 -0.141 1.00 0.00 WT3 O ATOM 39977 H1 TIP3 3116 -10.405 13.098 3.857 1.00 0.00 WT3 H ATOM 39978 H2 TIP3 3116 -16.432 19.238 11.616 1.00 0.00 WT3 H ATOM 39979 OH2 TIP3 3119 1.193 -1.770 0.942 1.00 0.00 WT3 O ATOM 39980 H1 TIP3 3119 -2.555 -0.006 4.115 1.00 0.00 WT3 H ATOM 39981 H2 TIP3 3119 4.912 -8.059 11.348 1.00 0.00 WT3 H ATOM 39982 OH2 TIP3 3121 -2.876 -2.714 -0.076 1.00 0.00 WT3 O ATOM 39983 H1 TIP3 3121 4.802 -14.954 5.421 1.00 0.00 WT3 H ATOM 39984 H2 TIP3 3121 -6.631 10.369 -12.321 1.00 0.00 WT3 H ATOM 39985 OH2 TIP3 3124 -0.918 -4.947 -1.622 1.00 0.00 WT3 O ATOM 39986 H1 TIP3 3124 -6.425 -2.704 13.078 1.00 0.00 WT3 H ATOM 39987 H2 TIP3 3124 5.439 -25.959 -3.835 1.00 0.00 WT3 H ATOM 39988 OH2 TIP3 3129 -1.697 -0.633 -5.605 1.00 0.00 WT3 O ATOM 39989 H1 TIP3 3129 -0.026 -15.636 -28.209 1.00 0.00 WT3 H ATOM 39990 H2 TIP3 3129 -2.921 9.758 12.453 1.00 0.00 WT3 H ATOM 39991 OH2 TIP3 3131 1.590 -8.284 -0.636 1.00 0.00 WT3 O ATOM 39992 H1 TIP3 3131 -26.271 -7.393 -5.136 1.00 0.00 WT3 H ATOM 39993 H2 TIP3 3131 12.507 -16.329 16.319 1.00 0.00 WT3 H ATOM 39994 OH2 TIP3 3133 -6.732 -1.454 -1.417 1.00 0.00 WT3 O ATOM 39995 H1 TIP3 3133 12.018 -12.613 14.465 1.00 0.00 WT3 H ATOM 39996 H2 TIP3 3133 -22.931 16.117 18.040 1.00 0.00 WT3 H ATOM 39997 OH2 TIP3 3134 1.757 -0.657 0.517 1.00 0.00 WT3 O ATOM 39998 H1 TIP3 3134 -10.429 -11.992 4.494 1.00 0.00 WT3 H ATOM 39999 H2 TIP3 3134 2.848 -0.677 -16.562 1.00 0.00 WT3 H ATOM 40000 OH2 TIP3 3136 5.965 3.585 -6.693 1.00 0.00 WT3 O ATOM 40001 H1 TIP3 3136 -8.071 7.158 -6.531 1.00 0.00 WT3 H ATOM 40002 H2 TIP3 3136 8.116 -0.521 7.884 1.00 0.00 WT3 H ATOM 40003 OH2 TIP3 3138 -3.195 -1.453 2.043 1.00 0.00 WT3 O ATOM 40004 H1 TIP3 3138 3.913 1.009 13.527 1.00 0.00 WT3 H ATOM 40005 H2 TIP3 3138 -16.019 -11.697 5.190 1.00 0.00 WT3 H ATOM 40006 OH2 TIP3 3139 7.823 -1.312 -6.670 1.00 0.00 WT3 O ATOM 40007 H1 TIP3 3139 26.611 -2.982 1.310 1.00 0.00 WT3 H ATOM 40008 H2 TIP3 3139 -19.056 22.318 3.635 1.00 0.00 WT3 H ATOM 40009 OH2 TIP3 3140 1.932 0.672 7.979 1.00 0.00 WT3 O ATOM 40010 H1 TIP3 3140 -8.007 9.813 1.692 1.00 0.00 WT3 H ATOM 40011 H2 TIP3 3140 7.074 -11.890 1.088 1.00 0.00 WT3 H ATOM 40012 OH2 TIP3 3141 0.072 -2.370 -1.096 1.00 0.00 WT3 O ATOM 40013 H1 TIP3 3141 -6.951 4.797 -0.513 1.00 0.00 WT3 H ATOM 40014 H2 TIP3 3141 13.740 10.141 7.724 1.00 0.00 WT3 H ATOM 40015 OH2 TIP3 3143 0.103 3.477 0.197 1.00 0.00 WT3 O ATOM 40016 H1 TIP3 3143 -12.185 -4.935 -11.872 1.00 0.00 WT3 H ATOM 40017 H2 TIP3 3143 -2.998 -0.973 -5.072 1.00 0.00 WT3 H ATOM 40018 OH2 TIP3 3144 5.277 2.869 0.407 1.00 0.00 WT3 O ATOM 40019 H1 TIP3 3144 4.928 3.982 0.671 1.00 0.00 WT3 H ATOM 40020 H2 TIP3 3144 5.728 0.886 1.393 1.00 0.00 WT3 H ATOM 40021 OH2 TIP3 3150 -6.270 -8.118 -1.021 1.00 0.00 WT3 O ATOM 40022 H1 TIP3 3150 -7.788 -9.519 3.584 1.00 0.00 WT3 H ATOM 40023 H2 TIP3 3150 -3.686 -11.479 -2.410 1.00 0.00 WT3 H ATOM 40024 OH2 TIP3 3152 -1.128 -0.282 -3.667 1.00 0.00 WT3 O ATOM 40025 H1 TIP3 3152 -14.818 9.972 -3.942 1.00 0.00 WT3 H ATOM 40026 H2 TIP3 3152 6.558 0.745 6.889 1.00 0.00 WT3 H ATOM 40027 OH2 TIP3 3154 -2.793 -0.487 0.605 1.00 0.00 WT3 O ATOM 40028 H1 TIP3 3154 -0.160 14.440 -11.655 1.00 0.00 WT3 H ATOM 40029 H2 TIP3 3154 -38.275 -3.246 -4.168 1.00 0.00 WT3 H ATOM 40030 OH2 TIP3 3155 0.815 -7.439 -0.541 1.00 0.00 WT3 O ATOM 40031 H1 TIP3 3155 -4.384 7.151 5.812 1.00 0.00 WT3 H ATOM 40032 H2 TIP3 3155 20.717 -23.859 13.540 1.00 0.00 WT3 H ATOM 40033 OH2 TIP3 3156 1.984 3.084 -3.300 1.00 0.00 WT3 O ATOM 40034 H1 TIP3 3156 6.373 6.320 -2.165 1.00 0.00 WT3 H ATOM 40035 H2 TIP3 3156 14.861 -6.736 -10.409 1.00 0.00 WT3 H ATOM 40036 OH2 TIP3 3157 -4.064 -6.152 -7.794 1.00 0.00 WT3 O ATOM 40037 H1 TIP3 3157 -4.582 -5.278 -6.249 1.00 0.00 WT3 H ATOM 40038 H2 TIP3 3157 6.389 -6.376 15.106 1.00 0.00 WT3 H ATOM 40039 OH2 TIP3 3158 -3.337 1.741 2.198 1.00 0.00 WT3 O ATOM 40040 H1 TIP3 3158 -6.168 10.222 2.806 1.00 0.00 WT3 H ATOM 40041 H2 TIP3 3158 2.081 -23.662 -7.962 1.00 0.00 WT3 H ATOM 40042 OH2 TIP3 3160 5.487 -1.832 -5.663 1.00 0.00 WT3 O ATOM 40043 H1 TIP3 3160 1.951 0.242 -2.709 1.00 0.00 WT3 H ATOM 40044 H2 TIP3 3160 4.165 6.252 19.536 1.00 0.00 WT3 H ATOM 40045 OH2 TIP3 3161 -0.166 -6.760 1.114 1.00 0.00 WT3 O ATOM 40046 H1 TIP3 3161 -22.307 -6.749 -16.748 1.00 0.00 WT3 H ATOM 40047 H2 TIP3 3161 23.820 2.458 -17.058 1.00 0.00 WT3 H ATOM 40048 OH2 TIP3 3162 4.180 6.294 1.805 1.00 0.00 WT3 O ATOM 40049 H1 TIP3 3162 -13.178 -37.462 26.966 1.00 0.00 WT3 H ATOM 40050 H2 TIP3 3162 5.604 17.141 0.890 1.00 0.00 WT3 H ATOM 40051 OH2 TIP3 3164 2.096 -5.229 -0.545 1.00 0.00 WT3 O ATOM 40052 H1 TIP3 3164 -15.658 4.347 -17.652 1.00 0.00 WT3 H ATOM 40053 H2 TIP3 3164 2.233 18.040 -1.134 1.00 0.00 WT3 H ATOM 40054 OH2 TIP3 3167 -7.468 1.612 2.368 1.00 0.00 WT3 O ATOM 40055 H1 TIP3 3167 9.611 -10.209 7.742 1.00 0.00 WT3 H ATOM 40056 H2 TIP3 3167 3.283 -6.980 -3.619 1.00 0.00 WT3 H ATOM 40057 OH2 TIP3 3169 -0.552 3.014 1.759 1.00 0.00 WT3 O ATOM 40058 H1 TIP3 3169 14.526 -16.679 -6.310 1.00 0.00 WT3 H ATOM 40059 H2 TIP3 3169 -11.270 -6.666 -10.522 1.00 0.00 WT3 H ATOM 40060 OH2 TIP3 3173 5.093 4.607 4.250 1.00 0.00 WT3 O ATOM 40061 H1 TIP3 3173 6.160 0.440 19.037 1.00 0.00 WT3 H ATOM 40062 H2 TIP3 3173 2.186 1.513 -15.281 1.00 0.00 WT3 H ATOM 40063 OH2 TIP3 3174 10.344 0.476 -9.002 1.00 0.00 WT3 O ATOM 40064 H1 TIP3 3174 -12.878 4.359 -7.121 1.00 0.00 WT3 H ATOM 40065 H2 TIP3 3174 -1.373 11.837 -2.639 1.00 0.00 WT3 H ATOM 40066 OH2 TIP3 3175 10.783 3.610 -5.126 1.00 0.00 WT3 O ATOM 40067 H1 TIP3 3175 6.410 12.708 0.519 1.00 0.00 WT3 H ATOM 40068 H2 TIP3 3175 17.841 -4.070 -25.982 1.00 0.00 WT3 H ATOM 40069 OH2 TIP3 3176 3.999 1.494 -1.527 1.00 0.00 WT3 O ATOM 40070 H1 TIP3 3176 11.824 7.249 13.144 1.00 0.00 WT3 H ATOM 40071 H2 TIP3 3176 4.714 -12.120 -2.671 1.00 0.00 WT3 H ATOM 40072 OH2 TIP3 3177 0.919 -3.235 -3.106 1.00 0.00 WT3 O ATOM 40073 H1 TIP3 3177 0.903 16.714 -19.610 1.00 0.00 WT3 H ATOM 40074 H2 TIP3 3177 -9.623 2.170 -7.926 1.00 0.00 WT3 H ATOM 40075 OH2 TIP3 3178 -4.845 -0.590 7.060 1.00 0.00 WT3 O ATOM 40076 H1 TIP3 3178 11.451 -16.128 2.303 1.00 0.00 WT3 H ATOM 40077 H2 TIP3 3178 6.417 -5.648 9.541 1.00 0.00 WT3 H ATOM 40078 OH2 TIP3 3179 -0.643 -0.242 2.874 1.00 0.00 WT3 O ATOM 40079 H1 TIP3 3179 5.599 -11.134 14.016 1.00 0.00 WT3 H ATOM 40080 H2 TIP3 3179 15.199 0.283 -5.447 1.00 0.00 WT3 H ATOM 40081 OH2 TIP3 3180 3.167 6.766 -2.391 1.00 0.00 WT3 O ATOM 40082 H1 TIP3 3180 -8.644 9.666 -6.933 1.00 0.00 WT3 H ATOM 40083 H2 TIP3 3180 2.551 7.931 -4.419 1.00 0.00 WT3 H ATOM 40084 OH2 TIP3 3181 -0.665 -5.854 -0.057 1.00 0.00 WT3 O ATOM 40085 H1 TIP3 3181 -7.230 -14.178 12.564 1.00 0.00 WT3 H ATOM 40086 H2 TIP3 3181 15.455 -18.548 -0.671 1.00 0.00 WT3 H ATOM 40087 OH2 TIP3 3182 -0.418 1.156 -6.284 1.00 0.00 WT3 O ATOM 40088 H1 TIP3 3182 1.375 2.632 -6.179 1.00 0.00 WT3 H ATOM 40089 H2 TIP3 3182 1.270 -0.469 -2.050 1.00 0.00 WT3 H ATOM 40090 OH2 TIP3 3184 -0.804 -2.138 -4.864 1.00 0.00 WT3 O ATOM 40091 H1 TIP3 3184 -5.243 5.693 -4.831 1.00 0.00 WT3 H ATOM 40092 H2 TIP3 3184 -3.277 -7.716 -2.616 1.00 0.00 WT3 H ATOM 40093 OH2 TIP3 3185 -0.986 2.563 -3.332 1.00 0.00 WT3 O ATOM 40094 H1 TIP3 3185 -1.576 11.605 5.401 1.00 0.00 WT3 H ATOM 40095 H2 TIP3 3185 -4.549 -7.476 -15.117 1.00 0.00 WT3 H ATOM 40096 OH2 TIP3 3187 -2.457 2.774 -0.001 1.00 0.00 WT3 O ATOM 40097 H1 TIP3 3187 1.461 -0.160 -2.248 1.00 0.00 WT3 H ATOM 40098 H2 TIP3 3187 -4.313 -2.530 -1.054 1.00 0.00 WT3 H ATOM 40099 OH2 TIP3 3188 -0.333 5.418 1.904 1.00 0.00 WT3 O ATOM 40100 H1 TIP3 3188 -5.101 -3.166 -4.520 1.00 0.00 WT3 H ATOM 40101 H2 TIP3 3188 -3.970 0.571 -5.444 1.00 0.00 WT3 H ATOM 40102 OH2 TIP3 3189 -3.903 1.907 6.039 1.00 0.00 WT3 O ATOM 40103 H1 TIP3 3189 5.172 -0.671 13.814 1.00 0.00 WT3 H ATOM 40104 H2 TIP3 3189 -11.027 8.837 -0.411 1.00 0.00 WT3 H ATOM 40105 OH2 TIP3 3192 -6.519 -5.521 -0.983 1.00 0.00 WT3 O ATOM 40106 H1 TIP3 3192 9.171 -12.816 -0.313 1.00 0.00 WT3 H ATOM 40107 H2 TIP3 3192 -11.704 -5.185 15.392 1.00 0.00 WT3 H ATOM 40108 OH2 TIP3 3193 -0.692 -0.483 5.811 1.00 0.00 WT3 O ATOM 40109 H1 TIP3 3193 -13.310 8.813 19.831 1.00 0.00 WT3 H ATOM 40110 H2 TIP3 3193 5.683 8.310 1.043 1.00 0.00 WT3 H ATOM 40111 OH2 TIP3 3194 -1.458 -3.462 -3.034 1.00 0.00 WT3 O ATOM 40112 H1 TIP3 3194 0.962 -5.890 -0.082 1.00 0.00 WT3 H ATOM 40113 H2 TIP3 3194 22.069 -12.963 10.790 1.00 0.00 WT3 H ATOM 40114 OH2 TIP3 3195 0.572 3.447 3.264 1.00 0.00 WT3 O ATOM 40115 H1 TIP3 3195 -0.065 11.481 10.624 1.00 0.00 WT3 H ATOM 40116 H2 TIP3 3195 5.691 1.792 11.012 1.00 0.00 WT3 H ATOM 40117 OH2 TIP3 3196 3.361 -0.660 2.508 1.00 0.00 WT3 O ATOM 40118 H1 TIP3 3196 1.286 1.949 -1.689 1.00 0.00 WT3 H ATOM 40119 H2 TIP3 3196 -7.288 0.336 -8.444 1.00 0.00 WT3 H ATOM 40120 OH2 TIP3 3198 6.023 -11.731 0.771 1.00 0.00 WT3 O ATOM 40121 H1 TIP3 3198 -1.582 4.766 21.618 1.00 0.00 WT3 H ATOM 40122 H2 TIP3 3198 16.613 -21.586 9.181 1.00 0.00 WT3 H ATOM 40123 OH2 TIP3 3200 -5.329 -6.624 1.987 1.00 0.00 WT3 O ATOM 40124 H1 TIP3 3200 -13.990 -18.168 12.897 1.00 0.00 WT3 H ATOM 40125 H2 TIP3 3200 -11.971 12.656 -31.231 1.00 0.00 WT3 H ATOM 40126 OH2 TIP3 3201 -0.931 2.131 -2.355 1.00 0.00 WT3 O ATOM 40127 H1 TIP3 3201 0.840 2.452 -1.451 1.00 0.00 WT3 H ATOM 40128 H2 TIP3 3201 -0.253 1.709 -2.331 1.00 0.00 WT3 H ATOM 40129 OH2 TIP3 3202 3.723 0.928 -2.046 1.00 0.00 WT3 O ATOM 40130 H1 TIP3 3202 7.028 -11.683 -14.108 1.00 0.00 WT3 H ATOM 40131 H2 TIP3 3202 5.763 -4.849 -2.046 1.00 0.00 WT3 H ATOM 40132 OH2 TIP3 3203 7.744 -2.628 -1.458 1.00 0.00 WT3 O ATOM 40133 H1 TIP3 3203 -1.249 24.708 -1.869 1.00 0.00 WT3 H ATOM 40134 H2 TIP3 3203 -5.197 -15.448 2.909 1.00 0.00 WT3 H ATOM 40135 OH2 TIP3 3204 -2.015 0.781 -4.361 1.00 0.00 WT3 O ATOM 40136 H1 TIP3 3204 6.980 15.089 -7.834 1.00 0.00 WT3 H ATOM 40137 H2 TIP3 3204 -10.048 -17.307 -17.348 1.00 0.00 WT3 H ATOM 40138 OH2 TIP3 3205 -6.738 -2.046 3.308 1.00 0.00 WT3 O ATOM 40139 H1 TIP3 3205 -2.353 -0.429 15.657 1.00 0.00 WT3 H ATOM 40140 H2 TIP3 3205 -3.846 -7.071 6.557 1.00 0.00 WT3 H ATOM 40141 OH2 TIP3 3206 -2.368 10.394 0.592 1.00 0.00 WT3 O ATOM 40142 H1 TIP3 3206 -17.491 9.317 15.097 1.00 0.00 WT3 H ATOM 40143 H2 TIP3 3206 25.473 -7.743 -6.177 1.00 0.00 WT3 H ATOM 40144 OH2 TIP3 3208 3.109 -3.554 -1.450 1.00 0.00 WT3 O ATOM 40145 H1 TIP3 3208 -13.404 8.405 18.761 1.00 0.00 WT3 H ATOM 40146 H2 TIP3 3208 14.217 -11.881 -12.924 1.00 0.00 WT3 H ATOM 40147 OH2 TIP3 3209 1.640 -0.572 2.802 1.00 0.00 WT3 O ATOM 40148 H1 TIP3 3209 9.182 0.841 -8.130 1.00 0.00 WT3 H ATOM 40149 H2 TIP3 3209 8.201 -13.632 11.548 1.00 0.00 WT3 H ATOM 40150 OH2 TIP3 3210 -0.300 -3.432 5.797 1.00 0.00 WT3 O ATOM 40151 H1 TIP3 3210 -11.967 -12.859 9.112 1.00 0.00 WT3 H ATOM 40152 H2 TIP3 3210 2.359 -2.867 2.966 1.00 0.00 WT3 H ATOM 40153 OH2 TIP3 3211 -0.799 8.161 -0.932 1.00 0.00 WT3 O ATOM 40154 H1 TIP3 3211 -18.769 12.543 -3.065 1.00 0.00 WT3 H ATOM 40155 H2 TIP3 3211 -24.964 17.181 -7.376 1.00 0.00 WT3 H ATOM 40156 OH2 TIP3 3212 5.995 -10.071 2.490 1.00 0.00 WT3 O ATOM 40157 H1 TIP3 3212 -4.634 -5.950 17.753 1.00 0.00 WT3 H ATOM 40158 H2 TIP3 3212 16.788 -15.497 -1.228 1.00 0.00 WT3 H ATOM 40159 OH2 TIP3 3213 0.850 2.501 2.079 1.00 0.00 WT3 O ATOM 40160 H1 TIP3 3213 2.589 9.504 16.419 1.00 0.00 WT3 H ATOM 40161 H2 TIP3 3213 -4.893 -2.013 11.295 1.00 0.00 WT3 H ATOM 40162 OH2 TIP3 3214 -2.132 6.009 -2.163 1.00 0.00 WT3 O ATOM 40163 H1 TIP3 3214 -6.201 1.916 -17.263 1.00 0.00 WT3 H ATOM 40164 H2 TIP3 3214 0.382 -2.136 -4.357 1.00 0.00 WT3 H ATOM 40165 OH2 TIP3 3215 -1.555 5.238 -3.926 1.00 0.00 WT3 O ATOM 40166 H1 TIP3 3215 7.982 9.123 16.448 1.00 0.00 WT3 H ATOM 40167 H2 TIP3 3215 -2.901 3.864 -0.868 1.00 0.00 WT3 H ATOM 40168 OH2 TIP3 3216 -0.867 1.035 -1.579 1.00 0.00 WT3 O ATOM 40169 H1 TIP3 3216 29.130 -0.501 19.313 1.00 0.00 WT3 H ATOM 40170 H2 TIP3 3216 -8.430 -0.619 -17.600 1.00 0.00 WT3 H ATOM 40171 OH2 TIP3 3218 -3.298 0.902 -1.328 1.00 0.00 WT3 O ATOM 40172 H1 TIP3 3218 -5.066 -22.193 -1.770 1.00 0.00 WT3 H ATOM 40173 H2 TIP3 3218 -7.863 4.346 11.955 1.00 0.00 WT3 H ATOM 40174 OH2 TIP3 3219 -1.712 1.338 -5.714 1.00 0.00 WT3 O ATOM 40175 H1 TIP3 3219 12.882 -25.396 0.830 1.00 0.00 WT3 H ATOM 40176 H2 TIP3 3219 -6.370 -5.726 4.959 1.00 0.00 WT3 H ATOM 40177 OH2 TIP3 3221 1.997 -1.403 -2.355 1.00 0.00 WT3 O ATOM 40178 H1 TIP3 3221 9.760 -14.742 -14.775 1.00 0.00 WT3 H ATOM 40179 H2 TIP3 3221 -1.569 -11.201 12.364 1.00 0.00 WT3 H ATOM 40180 OH2 TIP3 3222 -0.780 -5.388 -4.843 1.00 0.00 WT3 O ATOM 40181 H1 TIP3 3222 0.917 -20.617 -17.945 1.00 0.00 WT3 H ATOM 40182 H2 TIP3 3222 -11.015 -12.223 10.979 1.00 0.00 WT3 H ATOM 40183 OH2 TIP3 3223 4.907 -4.980 -1.012 1.00 0.00 WT3 O ATOM 40184 H1 TIP3 3223 19.776 7.648 3.029 1.00 0.00 WT3 H ATOM 40185 H2 TIP3 3223 8.492 7.080 -9.096 1.00 0.00 WT3 H ATOM 40186 OH2 TIP3 3224 0.140 0.480 -2.474 1.00 0.00 WT3 O ATOM 40187 H1 TIP3 3224 -2.009 -3.023 -1.944 1.00 0.00 WT3 H ATOM 40188 H2 TIP3 3224 -2.817 2.290 -0.705 1.00 0.00 WT3 H ATOM 40189 OH2 TIP3 3225 0.960 1.226 5.631 1.00 0.00 WT3 O ATOM 40190 H1 TIP3 3225 10.753 -11.719 -21.437 1.00 0.00 WT3 H ATOM 40191 H2 TIP3 3225 -15.535 -20.038 16.790 1.00 0.00 WT3 H ATOM 40192 OH2 TIP3 3227 2.066 0.934 -1.849 1.00 0.00 WT3 O ATOM 40193 H1 TIP3 3227 3.162 5.796 -19.805 1.00 0.00 WT3 H ATOM 40194 H2 TIP3 3227 -8.620 12.417 -15.278 1.00 0.00 WT3 H ATOM 40195 OH2 TIP3 3228 -0.644 0.793 2.412 1.00 0.00 WT3 O ATOM 40196 H1 TIP3 3228 -4.392 3.551 26.752 1.00 0.00 WT3 H ATOM 40197 H2 TIP3 3228 9.971 8.579 -9.737 1.00 0.00 WT3 H ATOM 40198 OH2 TIP3 3229 -9.986 1.903 -4.754 1.00 0.00 WT3 O ATOM 40199 H1 TIP3 3229 -1.925 4.829 3.485 1.00 0.00 WT3 H ATOM 40200 H2 TIP3 3229 -11.165 5.047 3.195 1.00 0.00 WT3 H ATOM 40201 OH2 TIP3 3230 0.089 -0.635 -1.021 1.00 0.00 WT3 O ATOM 40202 H1 TIP3 3230 2.830 7.076 15.193 1.00 0.00 WT3 H ATOM 40203 H2 TIP3 3230 2.243 -6.522 3.096 1.00 0.00 WT3 H ATOM 40204 OH2 TIP3 3231 8.168 0.321 -3.227 1.00 0.00 WT3 O ATOM 40205 H1 TIP3 3231 -10.246 9.382 15.014 1.00 0.00 WT3 H ATOM 40206 H2 TIP3 3231 -22.859 8.016 4.210 1.00 0.00 WT3 H ATOM 40207 OH2 TIP3 3232 3.186 0.506 6.726 1.00 0.00 WT3 O ATOM 40208 H1 TIP3 3232 -4.478 -15.976 1.907 1.00 0.00 WT3 H ATOM 40209 H2 TIP3 3232 -14.946 13.120 15.910 1.00 0.00 WT3 H ATOM 40210 OH2 TIP3 3233 9.059 -10.737 -3.041 1.00 0.00 WT3 O ATOM 40211 H1 TIP3 3233 -6.747 4.909 4.389 1.00 0.00 WT3 H ATOM 40212 H2 TIP3 3233 -5.949 13.452 14.377 1.00 0.00 WT3 H ATOM 40213 OH2 TIP3 3234 3.464 3.476 -5.786 1.00 0.00 WT3 O ATOM 40214 H1 TIP3 3234 21.751 34.935 13.186 1.00 0.00 WT3 H ATOM 40215 H2 TIP3 3234 -1.084 0.879 -2.143 1.00 0.00 WT3 H ATOM 40216 OH2 TIP3 3235 3.637 1.098 -2.083 1.00 0.00 WT3 O ATOM 40217 H1 TIP3 3235 10.486 -1.002 0.109 1.00 0.00 WT3 H ATOM 40218 H2 TIP3 3235 -1.824 -0.799 -7.311 1.00 0.00 WT3 H ATOM 40219 OH2 TIP3 3236 -4.955 -1.979 2.735 1.00 0.00 WT3 O ATOM 40220 H1 TIP3 3236 -8.244 -0.037 -17.345 1.00 0.00 WT3 H ATOM 40221 H2 TIP3 3236 2.860 -7.912 9.970 1.00 0.00 WT3 H ATOM 40222 OH2 TIP3 3237 3.888 -4.404 1.046 1.00 0.00 WT3 O ATOM 40223 H1 TIP3 3237 15.880 25.534 -1.388 1.00 0.00 WT3 H ATOM 40224 H2 TIP3 3237 1.321 21.735 -3.494 1.00 0.00 WT3 H ATOM 40225 OH2 TIP3 3238 -2.329 -2.895 -4.558 1.00 0.00 WT3 O ATOM 40226 H1 TIP3 3238 -4.643 6.730 -9.594 1.00 0.00 WT3 H ATOM 40227 H2 TIP3 3238 -1.500 5.978 -25.993 1.00 0.00 WT3 H ATOM 40228 OH2 TIP3 3240 -1.253 -2.580 -0.598 1.00 0.00 WT3 O ATOM 40229 H1 TIP3 3240 35.393 20.966 -1.805 1.00 0.00 WT3 H ATOM 40230 H2 TIP3 3240 13.494 -6.700 -10.393 1.00 0.00 WT3 H ATOM 40231 OH2 TIP3 3242 -0.368 2.962 -10.381 1.00 0.00 WT3 O ATOM 40232 H1 TIP3 3242 6.766 4.379 9.965 1.00 0.00 WT3 H ATOM 40233 H2 TIP3 3242 0.986 1.840 -12.229 1.00 0.00 WT3 H ATOM 40234 OH2 TIP3 3244 -3.629 -5.716 -1.283 1.00 0.00 WT3 O ATOM 40235 H1 TIP3 3244 0.258 -6.556 8.831 1.00 0.00 WT3 H ATOM 40236 H2 TIP3 3244 1.754 -13.519 -6.509 1.00 0.00 WT3 H ATOM 40237 OH2 TIP3 3245 -1.134 4.087 -5.137 1.00 0.00 WT3 O ATOM 40238 H1 TIP3 3245 -12.410 6.357 -6.250 1.00 0.00 WT3 H ATOM 40239 H2 TIP3 3245 0.944 -1.846 -15.590 1.00 0.00 WT3 H ATOM 40240 OH2 TIP3 3246 -7.275 1.788 -7.616 1.00 0.00 WT3 O ATOM 40241 H1 TIP3 3246 -10.906 1.721 -10.563 1.00 0.00 WT3 H ATOM 40242 H2 TIP3 3246 -3.018 3.283 -3.198 1.00 0.00 WT3 H ATOM 40243 OH2 TIP3 3247 -1.930 0.885 4.356 1.00 0.00 WT3 O ATOM 40244 H1 TIP3 3247 -23.451 11.148 -12.579 1.00 0.00 WT3 H ATOM 40245 H2 TIP3 3247 3.968 1.254 -21.183 1.00 0.00 WT3 H ATOM 40246 OH2 TIP3 3248 2.502 -2.787 7.556 1.00 0.00 WT3 O ATOM 40247 H1 TIP3 3248 8.237 12.134 -1.055 1.00 0.00 WT3 H ATOM 40248 H2 TIP3 3248 -12.681 -15.110 39.434 1.00 0.00 WT3 H ATOM 40249 OH2 TIP3 3249 1.026 -4.093 -1.274 1.00 0.00 WT3 O ATOM 40250 H1 TIP3 3249 5.197 -2.421 -12.908 1.00 0.00 WT3 H ATOM 40251 H2 TIP3 3249 -23.474 19.003 9.918 1.00 0.00 WT3 H ATOM 40252 OH2 TIP3 3250 -1.021 -0.617 4.855 1.00 0.00 WT3 O ATOM 40253 H1 TIP3 3250 -0.108 -1.213 1.184 1.00 0.00 WT3 H ATOM 40254 H2 TIP3 3250 -2.190 4.073 4.626 1.00 0.00 WT3 H ATOM 40255 OH2 TIP3 3251 0.623 0.123 0.506 1.00 0.00 WT3 O ATOM 40256 H1 TIP3 3251 7.616 -0.165 0.831 1.00 0.00 WT3 H ATOM 40257 H2 TIP3 3251 2.354 -4.860 2.853 1.00 0.00 WT3 H ATOM 40258 OH2 TIP3 3252 3.847 4.610 -2.167 1.00 0.00 WT3 O ATOM 40259 H1 TIP3 3252 8.518 -2.392 7.474 1.00 0.00 WT3 H ATOM 40260 H2 TIP3 3252 0.775 4.567 -4.144 1.00 0.00 WT3 H ATOM 40261 OH2 TIP3 3253 1.330 -3.561 -1.298 1.00 0.00 WT3 O ATOM 40262 H1 TIP3 3253 5.887 9.024 15.249 1.00 0.00 WT3 H ATOM 40263 H2 TIP3 3253 11.647 -20.895 2.585 1.00 0.00 WT3 H ATOM 40264 OH2 TIP3 3254 3.589 0.771 -4.118 1.00 0.00 WT3 O ATOM 40265 H1 TIP3 3254 3.796 7.451 2.963 1.00 0.00 WT3 H ATOM 40266 H2 TIP3 3254 -3.907 -5.096 -1.498 1.00 0.00 WT3 H ATOM 40267 OH2 TIP3 3255 3.905 -0.127 -2.472 1.00 0.00 WT3 O ATOM 40268 H1 TIP3 3255 -27.967 15.503 -7.125 1.00 0.00 WT3 H ATOM 40269 H2 TIP3 3255 10.662 19.553 -3.282 1.00 0.00 WT3 H ATOM 40270 OH2 TIP3 3256 1.106 -1.492 -3.932 1.00 0.00 WT3 O ATOM 40271 H1 TIP3 3256 -2.583 -19.117 1.559 1.00 0.00 WT3 H ATOM 40272 H2 TIP3 3256 24.239 -7.254 -11.506 1.00 0.00 WT3 H ATOM 40273 OH2 TIP3 3257 -2.150 1.458 5.300 1.00 0.00 WT3 O ATOM 40274 H1 TIP3 3257 2.363 8.960 12.638 1.00 0.00 WT3 H ATOM 40275 H2 TIP3 3257 -6.309 7.526 -1.309 1.00 0.00 WT3 H ATOM 40276 OH2 TIP3 3258 -2.906 1.057 -7.693 1.00 0.00 WT3 O ATOM 40277 H1 TIP3 3258 24.230 -2.412 -23.463 1.00 0.00 WT3 H ATOM 40278 H2 TIP3 3258 1.701 20.930 -0.585 1.00 0.00 WT3 H ATOM 40279 OH2 TIP3 3259 -0.658 3.610 2.318 1.00 0.00 WT3 O ATOM 40280 H1 TIP3 3259 22.851 10.758 0.055 1.00 0.00 WT3 H ATOM 40281 H2 TIP3 3259 -17.289 11.846 14.534 1.00 0.00 WT3 H ATOM 40282 OH2 TIP3 3261 -0.075 4.714 -1.102 1.00 0.00 WT3 O ATOM 40283 H1 TIP3 3261 -4.101 9.307 2.714 1.00 0.00 WT3 H ATOM 40284 H2 TIP3 3261 6.493 6.717 -9.767 1.00 0.00 WT3 H ATOM 40285 OH2 TIP3 3262 -5.552 -4.316 0.506 1.00 0.00 WT3 O ATOM 40286 H1 TIP3 3262 2.028 2.264 8.476 1.00 0.00 WT3 H ATOM 40287 H2 TIP3 3262 -12.080 1.251 -0.304 1.00 0.00 WT3 H ATOM 40288 OH2 TIP3 3263 -0.310 -0.225 -7.378 1.00 0.00 WT3 O ATOM 40289 H1 TIP3 3263 -0.954 19.190 15.080 1.00 0.00 WT3 H ATOM 40290 H2 TIP3 3263 1.474 -10.209 -19.033 1.00 0.00 WT3 H ATOM 40291 OH2 TIP3 3266 1.691 -2.330 -2.819 1.00 0.00 WT3 O ATOM 40292 H1 TIP3 3266 -4.171 5.910 2.473 1.00 0.00 WT3 H ATOM 40293 H2 TIP3 3266 9.833 -14.728 -6.422 1.00 0.00 WT3 H ATOM 40294 OH2 TIP3 3268 -6.047 3.541 -5.890 1.00 0.00 WT3 O ATOM 40295 H1 TIP3 3268 -6.435 8.705 -12.727 1.00 0.00 WT3 H ATOM 40296 H2 TIP3 3268 -4.932 -4.158 -8.453 1.00 0.00 WT3 H ATOM 40297 OH2 TIP3 3269 -1.860 1.183 1.077 1.00 0.00 WT3 O ATOM 40298 H1 TIP3 3269 9.004 -5.267 -4.951 1.00 0.00 WT3 H ATOM 40299 H2 TIP3 3269 -3.941 1.066 5.593 1.00 0.00 WT3 H ATOM 40300 OH2 TIP3 3271 4.695 -2.340 4.395 1.00 0.00 WT3 O ATOM 40301 H1 TIP3 3271 4.869 -2.255 2.263 1.00 0.00 WT3 H ATOM 40302 H2 TIP3 3271 14.623 -1.036 3.679 1.00 0.00 WT3 H ATOM 40303 OH2 TIP3 3272 -3.855 3.827 -6.216 1.00 0.00 WT3 O ATOM 40304 H1 TIP3 3272 -28.293 3.250 -5.203 1.00 0.00 WT3 H ATOM 40305 H2 TIP3 3272 -1.288 5.063 -5.539 1.00 0.00 WT3 H ATOM 40306 OH2 TIP3 3273 -4.050 -5.401 -4.694 1.00 0.00 WT3 O ATOM 40307 H1 TIP3 3273 0.507 16.873 16.640 1.00 0.00 WT3 H ATOM 40308 H2 TIP3 3273 -11.456 -4.764 17.833 1.00 0.00 WT3 H ATOM 40309 OH2 TIP3 3274 -10.090 -1.919 -1.514 1.00 0.00 WT3 O ATOM 40310 H1 TIP3 3274 18.460 -23.199 -25.607 1.00 0.00 WT3 H ATOM 40311 H2 TIP3 3274 -6.442 1.928 -12.168 1.00 0.00 WT3 H ATOM 40312 OH2 TIP3 3280 0.659 1.709 -4.423 1.00 0.00 WT3 O ATOM 40313 H1 TIP3 3280 3.150 13.390 -13.022 1.00 0.00 WT3 H ATOM 40314 H2 TIP3 3280 32.982 22.754 2.304 1.00 0.00 WT3 H ATOM 40315 OH2 TIP3 3282 2.862 0.773 1.988 1.00 0.00 WT3 O ATOM 40316 H1 TIP3 3282 4.266 -1.239 4.788 1.00 0.00 WT3 H ATOM 40317 H2 TIP3 3282 6.051 2.587 1.316 1.00 0.00 WT3 H ATOM 40318 OH2 TIP3 3286 -0.590 1.739 -0.097 1.00 0.00 WT3 O ATOM 40319 H1 TIP3 3286 -10.157 -3.768 -6.269 1.00 0.00 WT3 H ATOM 40320 H2 TIP3 3286 6.265 8.661 8.115 1.00 0.00 WT3 H ATOM 40321 OH2 TIP3 3287 -3.194 -5.224 1.838 1.00 0.00 WT3 O ATOM 40322 H1 TIP3 3287 -37.996 9.327 5.309 1.00 0.00 WT3 H ATOM 40323 H2 TIP3 3287 1.880 -3.495 5.670 1.00 0.00 WT3 H ATOM 40324 OH2 TIP3 3291 -1.228 -6.152 -2.652 1.00 0.00 WT3 O ATOM 40325 H1 TIP3 3291 -2.944 -3.741 5.772 1.00 0.00 WT3 H ATOM 40326 H2 TIP3 3291 6.951 -20.401 -15.136 1.00 0.00 WT3 H ATOM 40327 OH2 TIP3 3292 2.397 -0.986 5.861 1.00 0.00 WT3 O ATOM 40328 H1 TIP3 3292 4.639 -10.236 -5.870 1.00 0.00 WT3 H ATOM 40329 H2 TIP3 3292 7.127 26.262 46.775 1.00 0.00 WT3 H ATOM 40330 OH2 TIP3 3293 -1.659 -6.104 -6.405 1.00 0.00 WT3 O ATOM 40331 H1 TIP3 3293 0.996 9.743 -7.113 1.00 0.00 WT3 H ATOM 40332 H2 TIP3 3293 -5.637 -1.599 -12.820 1.00 0.00 WT3 H ATOM 40333 OH2 TIP3 3294 -3.666 2.360 2.196 1.00 0.00 WT3 O ATOM 40334 H1 TIP3 3294 -1.927 1.390 0.734 1.00 0.00 WT3 H ATOM 40335 H2 TIP3 3294 3.674 -2.462 -7.135 1.00 0.00 WT3 H ATOM 40336 OH2 TIP3 3295 -0.774 1.316 0.979 1.00 0.00 WT3 O ATOM 40337 H1 TIP3 3295 2.965 3.695 -0.668 1.00 0.00 WT3 H ATOM 40338 H2 TIP3 3295 1.189 0.663 -1.781 1.00 0.00 WT3 H ATOM 40339 OH2 TIP3 3296 1.829 -3.704 -5.358 1.00 0.00 WT3 O ATOM 40340 H1 TIP3 3296 17.865 -15.272 -14.169 1.00 0.00 WT3 H ATOM 40341 H2 TIP3 3296 -11.069 -18.474 2.534 1.00 0.00 WT3 H ATOM 40342 OH2 TIP3 3300 7.114 -1.737 -4.213 1.00 0.00 WT3 O ATOM 40343 H1 TIP3 3300 0.019 32.434 -31.696 1.00 0.00 WT3 H ATOM 40344 H2 TIP3 3300 -9.537 -0.584 1.422 1.00 0.00 WT3 H ATOM 40345 OH2 TIP3 3301 7.980 3.334 0.782 1.00 0.00 WT3 O ATOM 40346 H1 TIP3 3301 7.197 -0.286 12.187 1.00 0.00 WT3 H ATOM 40347 H2 TIP3 3301 -19.602 -2.902 -12.406 1.00 0.00 WT3 H ATOM 40348 OH2 TIP3 3302 -2.888 4.565 -3.420 1.00 0.00 WT3 O ATOM 40349 H1 TIP3 3302 -3.309 21.477 15.821 1.00 0.00 WT3 H ATOM 40350 H2 TIP3 3302 -3.960 -18.016 -19.976 1.00 0.00 WT3 H ATOM 40351 OH2 TIP3 3303 -1.612 -2.997 5.611 1.00 0.00 WT3 O ATOM 40352 H1 TIP3 3303 -15.350 -2.305 -5.814 1.00 0.00 WT3 H ATOM 40353 H2 TIP3 3303 17.546 -5.363 28.067 1.00 0.00 WT3 H ATOM 40354 OH2 TIP3 3304 -2.827 -0.530 -3.105 1.00 0.00 WT3 O ATOM 40355 H1 TIP3 3304 -0.691 4.940 2.128 1.00 0.00 WT3 H ATOM 40356 H2 TIP3 3304 -11.085 -1.058 8.507 1.00 0.00 WT3 H ATOM 40357 OH2 TIP3 3305 -4.417 -5.468 0.287 1.00 0.00 WT3 O ATOM 40358 H1 TIP3 3305 -36.048 15.575 11.954 1.00 0.00 WT3 H ATOM 40359 H2 TIP3 3305 5.444 -24.391 25.813 1.00 0.00 WT3 H ATOM 40360 OH2 TIP3 3306 -1.034 7.017 6.840 1.00 0.00 WT3 O ATOM 40361 H1 TIP3 3306 1.521 -2.749 4.780 1.00 0.00 WT3 H ATOM 40362 H2 TIP3 3306 8.890 -3.780 5.910 1.00 0.00 WT3 H ATOM 40363 OH2 TIP3 3307 -5.743 6.644 1.618 1.00 0.00 WT3 O ATOM 40364 H1 TIP3 3307 12.374 4.325 8.701 1.00 0.00 WT3 H ATOM 40365 H2 TIP3 3307 -11.751 8.095 4.368 1.00 0.00 WT3 H ATOM 40366 OH2 TIP3 3309 4.490 -0.930 1.298 1.00 0.00 WT3 O ATOM 40367 H1 TIP3 3309 -1.923 -5.369 -4.690 1.00 0.00 WT3 H ATOM 40368 H2 TIP3 3309 -7.401 4.559 -12.157 1.00 0.00 WT3 H ATOM 40369 OH2 TIP3 3310 0.684 -0.119 4.839 1.00 0.00 WT3 O ATOM 40370 H1 TIP3 3310 1.901 -10.110 12.916 1.00 0.00 WT3 H ATOM 40371 H2 TIP3 3310 12.901 -0.453 10.827 1.00 0.00 WT3 H ATOM 40372 OH2 TIP3 3312 5.092 -1.115 -2.212 1.00 0.00 WT3 O ATOM 40373 H1 TIP3 3312 0.048 -21.778 2.304 1.00 0.00 WT3 H ATOM 40374 H2 TIP3 3312 -19.823 15.618 -5.978 1.00 0.00 WT3 H ATOM 40375 OH2 TIP3 3313 -3.840 0.261 2.667 1.00 0.00 WT3 O ATOM 40376 H1 TIP3 3313 -9.011 -17.928 23.675 1.00 0.00 WT3 H ATOM 40377 H2 TIP3 3313 -5.313 3.108 1.957 1.00 0.00 WT3 H ATOM 40378 OH2 TIP3 3316 -0.826 -0.831 -1.177 1.00 0.00 WT3 O ATOM 40379 H1 TIP3 3316 -11.881 -12.359 -11.371 1.00 0.00 WT3 H ATOM 40380 H2 TIP3 3316 -13.764 1.081 14.446 1.00 0.00 WT3 H ATOM 40381 OH2 TIP3 3317 1.382 7.012 0.497 1.00 0.00 WT3 O ATOM 40382 H1 TIP3 3317 26.550 17.830 -3.365 1.00 0.00 WT3 H ATOM 40383 H2 TIP3 3317 -8.724 29.829 0.942 1.00 0.00 WT3 H ATOM 40384 OH2 TIP3 3324 -3.166 0.788 -4.120 1.00 0.00 WT3 O ATOM 40385 H1 TIP3 3324 1.022 -0.703 -3.503 1.00 0.00 WT3 H ATOM 40386 H2 TIP3 3324 5.086 -5.998 -2.692 1.00 0.00 WT3 H ATOM 40387 OH2 TIP3 3331 0.881 1.100 2.007 1.00 0.00 WT3 O ATOM 40388 H1 TIP3 3331 0.274 20.657 -6.356 1.00 0.00 WT3 H ATOM 40389 H2 TIP3 3331 7.402 -11.655 16.643 1.00 0.00 WT3 H ATOM 40390 OH2 TIP3 3334 -1.657 -0.149 3.004 1.00 0.00 WT3 O ATOM 40391 H1 TIP3 3334 -5.685 -4.773 -3.086 1.00 0.00 WT3 H ATOM 40392 H2 TIP3 3334 -12.974 1.780 10.773 1.00 0.00 WT3 H ATOM 40393 OH2 TIP3 3335 -3.432 2.837 -7.775 1.00 0.00 WT3 O ATOM 40394 H1 TIP3 3335 7.788 18.765 16.382 1.00 0.00 WT3 H ATOM 40395 H2 TIP3 3335 -14.217 -11.786 -4.609 1.00 0.00 WT3 H ATOM 40396 OH2 TIP3 3338 -1.114 4.049 2.549 1.00 0.00 WT3 O ATOM 40397 H1 TIP3 3338 6.133 -13.222 22.327 1.00 0.00 WT3 H ATOM 40398 H2 TIP3 3338 16.087 1.173 -15.269 1.00 0.00 WT3 H ATOM 40399 OH2 TIP3 3347 -0.706 2.860 3.314 1.00 0.00 WT3 O ATOM 40400 H1 TIP3 3347 14.524 2.095 -17.286 1.00 0.00 WT3 H ATOM 40401 H2 TIP3 3347 -18.738 -22.348 6.496 1.00 0.00 WT3 H ATOM 40402 OH2 TIP3 3348 0.690 -3.740 -1.192 1.00 0.00 WT3 O ATOM 40403 H1 TIP3 3348 -8.202 -17.512 0.928 1.00 0.00 WT3 H ATOM 40404 H2 TIP3 3348 10.720 -3.451 7.365 1.00 0.00 WT3 H ATOM 40405 OH2 TIP3 3350 1.224 -0.885 -2.449 1.00 0.00 WT3 O ATOM 40406 H1 TIP3 3350 -7.611 -13.795 13.619 1.00 0.00 WT3 H ATOM 40407 H2 TIP3 3350 -13.580 13.173 2.981 1.00 0.00 WT3 H ATOM 40408 OH2 TIP3 3354 -0.891 -2.545 3.873 1.00 0.00 WT3 O ATOM 40409 H1 TIP3 3354 18.914 -11.238 5.659 1.00 0.00 WT3 H ATOM 40410 H2 TIP3 3354 7.296 14.658 2.479 1.00 0.00 WT3 H ATOM 40411 OH2 TIP3 3367 0.319 1.710 -4.937 1.00 0.00 WT3 O ATOM 40412 H1 TIP3 3367 -11.229 -20.367 15.584 1.00 0.00 WT3 H ATOM 40413 H2 TIP3 3367 9.562 -12.878 -2.112 1.00 0.00 WT3 H ATOM 40414 OH2 TIP3 3369 1.970 -0.645 1.245 1.00 0.00 WT3 O ATOM 40415 H1 TIP3 3369 6.450 -6.293 -1.448 1.00 0.00 WT3 H ATOM 40416 H2 TIP3 3369 13.135 7.310 6.933 1.00 0.00 WT3 H ATOM 40417 OH2 TIP3 3382 -3.235 0.488 -0.732 1.00 0.00 WT3 O ATOM 40418 H1 TIP3 3382 14.281 15.342 -31.522 1.00 0.00 WT3 H ATOM 40419 H2 TIP3 3382 5.463 -0.185 4.105 1.00 0.00 WT3 H ATOM 40420 OH2 TIP3 3408 6.038 1.957 -2.612 1.00 0.00 WT3 O ATOM 40421 H1 TIP3 3408 -11.990 7.422 -0.254 1.00 0.00 WT3 H ATOM 40422 H2 TIP3 3408 4.418 -1.006 -21.218 1.00 0.00 WT3 H ATOM 40423 OH2 TIP3 3426 0.211 2.276 3.882 1.00 0.00 WT3 O ATOM 40424 H1 TIP3 3426 11.127 2.652 -5.870 1.00 0.00 WT3 H ATOM 40425 H2 TIP3 3426 7.535 28.754 19.118 1.00 0.00 WT3 H ATOM 40426 OH2 TIP3 3440 -1.447 -1.018 6.031 1.00 0.00 WT3 O ATOM 40427 H1 TIP3 3440 -2.924 -5.183 7.806 1.00 0.00 WT3 H ATOM 40428 H2 TIP3 3440 -7.072 -13.495 11.893 1.00 0.00 WT3 H ATOM 40429 OH2 TIP3 3447 -0.201 -1.934 3.847 1.00 0.00 WT3 O ATOM 40430 H1 TIP3 3447 -11.535 -8.175 1.154 1.00 0.00 WT3 H ATOM 40431 H2 TIP3 3447 -12.672 -4.213 -4.761 1.00 0.00 WT3 H ATOM 40432 OH2 TIP3 3480 1.485 -3.078 3.859 1.00 0.00 WT3 O ATOM 40433 H1 TIP3 3480 22.744 0.116 8.467 1.00 0.00 WT3 H ATOM 40434 H2 TIP3 3480 7.154 9.186 -7.791 1.00 0.00 WT3 H ATOM 40435 OH2 TIP3 3484 -0.143 7.738 2.113 1.00 0.00 WT3 O ATOM 40436 H1 TIP3 3484 -19.780 3.452 1.452 1.00 0.00 WT3 H ATOM 40437 H2 TIP3 3484 16.883 12.161 11.511 1.00 0.00 WT3 H ATOM 40438 OH2 TIP3 3496 1.377 3.540 1.198 1.00 0.00 WT3 O ATOM 40439 H1 TIP3 3496 4.114 8.070 6.966 1.00 0.00 WT3 H ATOM 40440 H2 TIP3 3496 7.119 3.847 -2.212 1.00 0.00 WT3 H ATOM 40441 OH2 TIP3 3497 0.695 -3.193 3.601 1.00 0.00 WT3 O ATOM 40442 H1 TIP3 3497 -3.054 -2.430 -2.168 1.00 0.00 WT3 H ATOM 40443 H2 TIP3 3497 10.011 -3.898 4.385 1.00 0.00 WT3 H ATOM 40444 OH2 TIP3 3511 7.583 -1.026 9.797 1.00 0.00 WT3 O ATOM 40445 H1 TIP3 3511 0.636 13.561 -6.164 1.00 0.00 WT3 H ATOM 40446 H2 TIP3 3511 6.809 4.863 -4.516 1.00 0.00 WT3 H ATOM 40447 OH2 TIP3 3513 -0.630 1.874 1.679 1.00 0.00 WT3 O ATOM 40448 H1 TIP3 3513 -12.319 -4.491 8.141 1.00 0.00 WT3 H ATOM 40449 H2 TIP3 3513 11.430 -24.839 -5.161 1.00 0.00 WT3 H ATOM 40450 OH2 TIP3 3514 1.829 8.743 -1.193 1.00 0.00 WT3 O ATOM 40451 H1 TIP3 3514 -0.255 13.963 22.307 1.00 0.00 WT3 H ATOM 40452 H2 TIP3 3514 -7.467 8.317 3.880 1.00 0.00 WT3 H ATOM 40453 OH2 TIP3 3521 0.414 -7.471 0.387 1.00 0.00 WT3 O ATOM 40454 H1 TIP3 3521 14.960 -2.860 -10.981 1.00 0.00 WT3 H ATOM 40455 H2 TIP3 3521 18.923 -17.329 17.925 1.00 0.00 WT3 H ATOM 40456 OH2 TIP3 3526 -6.557 -3.893 -6.396 1.00 0.00 WT3 O ATOM 40457 H1 TIP3 3526 -12.752 -12.450 -11.861 1.00 0.00 WT3 H ATOM 40458 H2 TIP3 3526 1.634 -11.041 -7.046 1.00 0.00 WT3 H ATOM 40459 OH2 TIP3 3527 -0.858 2.438 -5.863 1.00 0.00 WT3 O ATOM 40460 H1 TIP3 3527 6.611 18.174 16.682 1.00 0.00 WT3 H ATOM 40461 H2 TIP3 3527 3.013 18.671 6.773 1.00 0.00 WT3 H ATOM 40462 OH2 TIP3 3533 -2.770 -7.636 6.785 1.00 0.00 WT3 O ATOM 40463 H1 TIP3 3533 -4.665 -10.707 4.757 1.00 0.00 WT3 H ATOM 40464 H2 TIP3 3533 26.392 17.145 11.069 1.00 0.00 WT3 H ATOM 40465 OH2 TIP3 3534 1.967 -2.309 0.155 1.00 0.00 WT3 O ATOM 40466 H1 TIP3 3534 1.146 18.593 -4.462 1.00 0.00 WT3 H ATOM 40467 H2 TIP3 3534 6.355 19.897 -6.104 1.00 0.00 WT3 H ATOM 40468 OH2 TIP3 3537 5.474 3.025 2.602 1.00 0.00 WT3 O ATOM 40469 H1 TIP3 3537 -17.796 3.054 -1.450 1.00 0.00 WT3 H ATOM 40470 H2 TIP3 3537 6.419 18.197 8.244 1.00 0.00 WT3 H ATOM 40471 OH2 TIP3 3544 -6.865 2.427 -0.656 1.00 0.00 WT3 O ATOM 40472 H1 TIP3 3544 -12.522 -1.348 10.314 1.00 0.00 WT3 H ATOM 40473 H2 TIP3 3544 -2.972 19.874 5.755 1.00 0.00 WT3 H ATOM 40474 OH2 TIP3 3545 -0.335 8.381 0.283 1.00 0.00 WT3 O ATOM 40475 H1 TIP3 3545 -2.922 1.394 -15.763 1.00 0.00 WT3 H ATOM 40476 H2 TIP3 3545 -13.300 1.636 9.024 1.00 0.00 WT3 H ATOM 40477 OH2 TIP3 3546 4.443 1.824 0.049 1.00 0.00 WT3 O ATOM 40478 H1 TIP3 3546 11.632 -3.093 -7.150 1.00 0.00 WT3 H ATOM 40479 H2 TIP3 3546 -11.227 -3.946 -8.299 1.00 0.00 WT3 H ATOM 40480 OH2 TIP3 3548 0.558 -0.566 1.581 1.00 0.00 WT3 O ATOM 40481 H1 TIP3 3548 3.356 -4.567 4.506 1.00 0.00 WT3 H ATOM 40482 H2 TIP3 3548 12.551 -7.094 29.993 1.00 0.00 WT3 H ATOM 40483 OH2 TIP3 3552 -2.017 0.105 11.843 1.00 0.00 WT3 O ATOM 40484 H1 TIP3 3552 12.009 8.453 24.184 1.00 0.00 WT3 H ATOM 40485 H2 TIP3 3552 -14.958 13.377 6.895 1.00 0.00 WT3 H ATOM 40486 OH2 TIP3 3554 -0.306 4.234 -1.176 1.00 0.00 WT3 O ATOM 40487 H1 TIP3 3554 -12.864 12.039 -18.272 1.00 0.00 WT3 H ATOM 40488 H2 TIP3 3554 1.985 13.731 -15.116 1.00 0.00 WT3 H ATOM 40489 OH2 TIP3 3555 0.650 -1.739 -0.705 1.00 0.00 WT3 O ATOM 40490 H1 TIP3 3555 -4.270 -3.158 10.931 1.00 0.00 WT3 H ATOM 40491 H2 TIP3 3555 -16.620 6.981 26.528 1.00 0.00 WT3 H ATOM 40492 OH2 TIP3 3556 3.924 4.652 -3.017 1.00 0.00 WT3 O ATOM 40493 H1 TIP3 3556 12.810 -1.842 -7.927 1.00 0.00 WT3 H ATOM 40494 H2 TIP3 3556 6.813 14.041 -11.065 1.00 0.00 WT3 H ATOM 40495 OH2 TIP3 3561 -3.263 -0.119 5.918 1.00 0.00 WT3 O ATOM 40496 H1 TIP3 3561 -20.760 -1.299 4.259 1.00 0.00 WT3 H ATOM 40497 H2 TIP3 3561 2.509 -13.098 -12.302 1.00 0.00 WT3 H ATOM 40498 OH2 TIP3 3566 -4.429 -7.517 6.012 1.00 0.00 WT3 O ATOM 40499 H1 TIP3 3566 -11.170 -4.204 10.863 1.00 0.00 WT3 H ATOM 40500 H2 TIP3 3566 7.100 -0.984 11.110 1.00 0.00 WT3 H ATOM 40501 OH2 TIP3 3569 3.429 -0.670 2.698 1.00 0.00 WT3 O ATOM 40502 H1 TIP3 3569 1.591 30.157 -2.090 1.00 0.00 WT3 H ATOM 40503 H2 TIP3 3569 1.151 18.272 3.542 1.00 0.00 WT3 H ATOM 40504 OH2 TIP3 3571 -5.291 -4.205 5.056 1.00 0.00 WT3 O ATOM 40505 H1 TIP3 3571 -5.120 -5.897 -11.529 1.00 0.00 WT3 H ATOM 40506 H2 TIP3 3571 -7.100 5.264 20.826 1.00 0.00 WT3 H ATOM 40507 OH2 TIP3 3573 1.959 -0.833 0.677 1.00 0.00 WT3 O ATOM 40508 H1 TIP3 3573 -4.319 -5.696 -1.387 1.00 0.00 WT3 H ATOM 40509 H2 TIP3 3573 4.283 0.443 0.264 1.00 0.00 WT3 H ATOM 40510 OH2 TIP3 3575 -1.884 -4.174 2.107 1.00 0.00 WT3 O ATOM 40511 H1 TIP3 3575 5.239 1.654 3.263 1.00 0.00 WT3 H ATOM 40512 H2 TIP3 3575 33.683 -23.191 9.193 1.00 0.00 WT3 H ATOM 40513 OH2 TIP3 3579 -2.191 1.804 -4.550 1.00 0.00 WT3 O ATOM 40514 H1 TIP3 3579 10.012 3.667 -6.752 1.00 0.00 WT3 H ATOM 40515 H2 TIP3 3579 0.165 -4.815 -5.270 1.00 0.00 WT3 H ATOM 40516 OH2 TIP3 3580 2.760 -9.743 1.520 1.00 0.00 WT3 O ATOM 40517 H1 TIP3 3580 -6.511 14.445 -7.969 1.00 0.00 WT3 H ATOM 40518 H2 TIP3 3580 -20.413 11.842 6.670 1.00 0.00 WT3 H ATOM 40519 OH2 TIP3 3585 1.160 -5.469 -7.534 1.00 0.00 WT3 O ATOM 40520 H1 TIP3 3585 -6.062 0.982 -5.988 1.00 0.00 WT3 H ATOM 40521 H2 TIP3 3585 7.178 -13.825 -1.728 1.00 0.00 WT3 H ATOM 40522 OH2 TIP3 3586 -0.325 1.463 -8.131 1.00 0.00 WT3 O ATOM 40523 H1 TIP3 3586 0.088 -8.241 -2.371 1.00 0.00 WT3 H ATOM 40524 H2 TIP3 3586 -3.445 -8.124 -3.451 1.00 0.00 WT3 H ATOM 40525 OH2 TIP3 3588 -8.375 -2.781 -0.047 1.00 0.00 WT3 O ATOM 40526 H1 TIP3 3588 6.118 -9.522 -2.095 1.00 0.00 WT3 H ATOM 40527 H2 TIP3 3588 -20.762 -6.483 -12.882 1.00 0.00 WT3 H ATOM 40528 OH2 TIP3 3589 1.590 -1.985 0.935 1.00 0.00 WT3 O ATOM 40529 H1 TIP3 3589 5.493 11.944 19.198 1.00 0.00 WT3 H ATOM 40530 H2 TIP3 3589 21.461 -3.093 -11.750 1.00 0.00 WT3 H ATOM 40531 OH2 TIP3 3590 -4.340 1.889 -6.365 1.00 0.00 WT3 O ATOM 40532 H1 TIP3 3590 -5.528 4.464 -2.526 1.00 0.00 WT3 H ATOM 40533 H2 TIP3 3590 -2.352 -1.764 -9.103 1.00 0.00 WT3 H ATOM 40534 OH2 TIP3 3593 -3.713 2.969 2.386 1.00 0.00 WT3 O ATOM 40535 H1 TIP3 3593 -9.847 2.308 4.941 1.00 0.00 WT3 H ATOM 40536 H2 TIP3 3593 5.232 13.637 13.252 1.00 0.00 WT3 H ATOM 40537 OH2 TIP3 3595 1.736 1.299 1.036 1.00 0.00 WT3 O ATOM 40538 H1 TIP3 3595 -16.494 -0.390 8.637 1.00 0.00 WT3 H ATOM 40539 H2 TIP3 3595 -6.594 2.882 4.940 1.00 0.00 WT3 H ATOM 40540 OH2 TIP3 3596 1.301 6.078 1.563 1.00 0.00 WT3 O ATOM 40541 H1 TIP3 3596 -8.945 4.715 -2.907 1.00 0.00 WT3 H ATOM 40542 H2 TIP3 3596 -3.441 -0.920 -0.160 1.00 0.00 WT3 H ATOM 40543 OH2 TIP3 3597 -2.212 3.894 1.895 1.00 0.00 WT3 O ATOM 40544 H1 TIP3 3597 7.522 -3.859 -10.084 1.00 0.00 WT3 H ATOM 40545 H2 TIP3 3597 -12.501 14.670 -5.668 1.00 0.00 WT3 H ATOM 40546 OH2 TIP3 3598 -4.430 -4.014 2.973 1.00 0.00 WT3 O ATOM 40547 H1 TIP3 3598 -4.454 -0.280 -2.378 1.00 0.00 WT3 H ATOM 40548 H2 TIP3 3598 2.477 -8.989 -1.648 1.00 0.00 WT3 H ATOM 40549 OH2 TIP3 3599 -4.281 -2.921 0.861 1.00 0.00 WT3 O ATOM 40550 H1 TIP3 3599 -5.257 -1.431 -1.930 1.00 0.00 WT3 H ATOM 40551 H2 TIP3 3599 -7.806 7.774 -24.103 1.00 0.00 WT3 H ATOM 40552 OH2 TIP3 3600 3.499 0.586 -0.652 1.00 0.00 WT3 O ATOM 40553 H1 TIP3 3600 0.045 1.713 -1.511 1.00 0.00 WT3 H ATOM 40554 H2 TIP3 3600 -9.438 -7.302 11.658 1.00 0.00 WT3 H ATOM 40555 OH2 TIP3 3601 2.235 -0.766 1.519 1.00 0.00 WT3 O ATOM 40556 H1 TIP3 3601 -5.020 4.728 -0.538 1.00 0.00 WT3 H ATOM 40557 H2 TIP3 3601 -1.511 -2.148 -1.906 1.00 0.00 WT3 H ATOM 40558 OH2 TIP3 3603 6.055 6.885 -0.616 1.00 0.00 WT3 O ATOM 40559 H1 TIP3 3603 10.434 12.579 -12.359 1.00 0.00 WT3 H ATOM 40560 H2 TIP3 3603 29.685 25.219 -8.951 1.00 0.00 WT3 H ATOM 40561 OH2 TIP3 3604 2.570 -5.004 -1.841 1.00 0.00 WT3 O ATOM 40562 H1 TIP3 3604 -6.077 -4.418 1.184 1.00 0.00 WT3 H ATOM 40563 H2 TIP3 3604 -0.664 0.427 -0.969 1.00 0.00 WT3 H ATOM 40564 OH2 TIP3 3607 4.821 -2.411 5.115 1.00 0.00 WT3 O ATOM 40565 H1 TIP3 3607 31.602 -9.149 29.761 1.00 0.00 WT3 H ATOM 40566 H2 TIP3 3607 -15.580 16.919 29.130 1.00 0.00 WT3 H ATOM 40567 OH2 TIP3 3608 6.710 3.742 -0.436 1.00 0.00 WT3 O ATOM 40568 H1 TIP3 3608 17.313 4.867 11.474 1.00 0.00 WT3 H ATOM 40569 H2 TIP3 3608 5.051 12.195 -9.479 1.00 0.00 WT3 H ATOM 40570 OH2 TIP3 3609 -5.941 -2.611 0.640 1.00 0.00 WT3 O ATOM 40571 H1 TIP3 3609 -21.662 6.639 2.277 1.00 0.00 WT3 H ATOM 40572 H2 TIP3 3609 14.925 13.063 0.007 1.00 0.00 WT3 H ATOM 40573 OH2 TIP3 3610 0.225 1.268 1.661 1.00 0.00 WT3 O ATOM 40574 H1 TIP3 3610 -0.660 -4.647 9.551 1.00 0.00 WT3 H ATOM 40575 H2 TIP3 3610 0.505 5.984 6.492 1.00 0.00 WT3 H ATOM 40576 OH2 TIP3 3612 -7.051 0.545 1.233 1.00 0.00 WT3 O ATOM 40577 H1 TIP3 3612 -16.241 25.482 -12.423 1.00 0.00 WT3 H ATOM 40578 H2 TIP3 3612 15.421 10.162 0.274 1.00 0.00 WT3 H ATOM 40579 OH2 TIP3 3613 -6.547 2.161 -5.251 1.00 0.00 WT3 O ATOM 40580 H1 TIP3 3613 1.723 -10.815 -6.089 1.00 0.00 WT3 H ATOM 40581 H2 TIP3 3613 5.719 19.678 7.401 1.00 0.00 WT3 H ATOM 40582 OH2 TIP3 3614 2.236 -2.296 -0.043 1.00 0.00 WT3 O ATOM 40583 H1 TIP3 3614 -0.493 -2.139 -5.813 1.00 0.00 WT3 H ATOM 40584 H2 TIP3 3614 12.088 -34.775 -13.113 1.00 0.00 WT3 H ATOM 40585 OH2 TIP3 3615 -1.294 -0.295 0.085 1.00 0.00 WT3 O ATOM 40586 H1 TIP3 3615 10.886 -9.449 2.126 1.00 0.00 WT3 H ATOM 40587 H2 TIP3 3615 -3.308 -35.414 -22.601 1.00 0.00 WT3 H ATOM 40588 OH2 TIP3 3616 2.168 -0.798 -0.681 1.00 0.00 WT3 O ATOM 40589 H1 TIP3 3616 4.609 -18.940 29.089 1.00 0.00 WT3 H ATOM 40590 H2 TIP3 3616 -6.718 21.242 -7.469 1.00 0.00 WT3 H ATOM 40591 OH2 TIP3 3617 -7.098 2.808 1.124 1.00 0.00 WT3 O ATOM 40592 H1 TIP3 3617 -7.071 4.991 3.411 1.00 0.00 WT3 H ATOM 40593 H2 TIP3 3617 -8.463 2.831 1.156 1.00 0.00 WT3 H ATOM 40594 OH2 TIP3 3618 2.254 5.909 -3.278 1.00 0.00 WT3 O ATOM 40595 H1 TIP3 3618 2.884 2.060 7.642 1.00 0.00 WT3 H ATOM 40596 H2 TIP3 3618 -13.013 22.878 -12.349 1.00 0.00 WT3 H ATOM 40597 OH2 TIP3 3619 1.371 0.600 5.180 1.00 0.00 WT3 O ATOM 40598 H1 TIP3 3619 -14.603 7.227 -8.723 1.00 0.00 WT3 H ATOM 40599 H2 TIP3 3619 23.969 6.752 -0.838 1.00 0.00 WT3 H ATOM 40600 OH2 TIP3 3620 -2.832 -1.609 0.236 1.00 0.00 WT3 O ATOM 40601 H1 TIP3 3620 -7.286 5.830 28.362 1.00 0.00 WT3 H ATOM 40602 H2 TIP3 3620 -16.684 -3.262 14.446 1.00 0.00 WT3 H ATOM 40603 OH2 TIP3 3621 -6.258 2.497 -2.525 1.00 0.00 WT3 O ATOM 40604 H1 TIP3 3621 -4.818 -13.463 -8.146 1.00 0.00 WT3 H ATOM 40605 H2 TIP3 3621 11.747 -16.511 -23.749 1.00 0.00 WT3 H ATOM 40606 OH2 TIP3 3622 8.297 2.048 1.541 1.00 0.00 WT3 O ATOM 40607 H1 TIP3 3622 -1.458 -0.064 -5.386 1.00 0.00 WT3 H ATOM 40608 H2 TIP3 3622 10.942 -4.851 35.382 1.00 0.00 WT3 H ATOM 40609 OH2 TIP3 3623 -3.845 -3.511 7.953 1.00 0.00 WT3 O ATOM 40610 H1 TIP3 3623 8.784 -11.494 10.350 1.00 0.00 WT3 H ATOM 40611 H2 TIP3 3623 -4.864 1.309 -3.236 1.00 0.00 WT3 H ATOM 40612 OH2 TIP3 3624 -7.117 -0.630 4.810 1.00 0.00 WT3 O ATOM 40613 H1 TIP3 3624 -10.757 6.506 3.805 1.00 0.00 WT3 H ATOM 40614 H2 TIP3 3624 -25.955 -13.835 6.898 1.00 0.00 WT3 H ATOM 40615 OH2 TIP3 3625 -4.163 -2.676 4.522 1.00 0.00 WT3 O ATOM 40616 H1 TIP3 3625 9.978 -29.365 -19.814 1.00 0.00 WT3 H ATOM 40617 H2 TIP3 3625 11.732 0.431 -4.647 1.00 0.00 WT3 H ATOM 40618 OH2 TIP3 3626 7.432 0.444 -2.949 1.00 0.00 WT3 O ATOM 40619 H1 TIP3 3626 12.344 1.564 -9.380 1.00 0.00 WT3 H ATOM 40620 H2 TIP3 3626 9.966 -7.455 -1.150 1.00 0.00 WT3 H ATOM 40621 OH2 TIP3 3627 0.111 0.742 4.645 1.00 0.00 WT3 O ATOM 40622 H1 TIP3 3627 9.335 5.438 0.531 1.00 0.00 WT3 H ATOM 40623 H2 TIP3 3627 9.830 2.569 4.087 1.00 0.00 WT3 H ATOM 40624 OH2 TIP3 3628 2.439 -3.336 -3.648 1.00 0.00 WT3 O ATOM 40625 H1 TIP3 3628 3.342 -1.554 -13.782 1.00 0.00 WT3 H ATOM 40626 H2 TIP3 3628 21.523 -0.601 17.768 1.00 0.00 WT3 H ATOM 40627 OH2 TIP3 3629 -4.090 -2.623 -5.628 1.00 0.00 WT3 O ATOM 40628 H1 TIP3 3629 4.742 8.029 0.035 1.00 0.00 WT3 H ATOM 40629 H2 TIP3 3629 4.882 -15.015 -14.430 1.00 0.00 WT3 H ATOM 40630 OH2 TIP3 3630 -0.763 -3.214 -4.565 1.00 0.00 WT3 O ATOM 40631 H1 TIP3 3630 1.314 1.189 8.736 1.00 0.00 WT3 H ATOM 40632 H2 TIP3 3630 3.745 7.124 -14.486 1.00 0.00 WT3 H ATOM 40633 OH2 TIP3 3632 -0.282 -6.909 -2.838 1.00 0.00 WT3 O ATOM 40634 H1 TIP3 3632 4.768 4.513 -5.139 1.00 0.00 WT3 H ATOM 40635 H2 TIP3 3632 -0.173 1.277 13.082 1.00 0.00 WT3 H ATOM 40636 OH2 TIP3 3633 -2.746 1.424 -5.224 1.00 0.00 WT3 O ATOM 40637 H1 TIP3 3633 -0.021 3.508 -17.304 1.00 0.00 WT3 H ATOM 40638 H2 TIP3 3633 2.847 8.734 3.623 1.00 0.00 WT3 H ATOM 40639 OH2 TIP3 3634 3.379 2.868 -2.518 1.00 0.00 WT3 O ATOM 40640 H1 TIP3 3634 4.622 -12.752 -0.936 1.00 0.00 WT3 H ATOM 40641 H2 TIP3 3634 0.747 2.853 4.998 1.00 0.00 WT3 H ATOM 40642 OH2 TIP3 3635 -5.969 0.003 2.149 1.00 0.00 WT3 O ATOM 40643 H1 TIP3 3635 -13.872 -6.908 -2.558 1.00 0.00 WT3 H ATOM 40644 H2 TIP3 3635 -4.437 30.890 -4.011 1.00 0.00 WT3 H ATOM 40645 OH2 TIP3 3636 -1.340 0.128 0.625 1.00 0.00 WT3 O ATOM 40646 H1 TIP3 3636 2.381 5.488 -0.355 1.00 0.00 WT3 H ATOM 40647 H2 TIP3 3636 1.371 6.055 -0.234 1.00 0.00 WT3 H ATOM 40648 OH2 TIP3 3637 -7.612 -4.890 0.936 1.00 0.00 WT3 O ATOM 40649 H1 TIP3 3637 -43.551 -19.292 8.372 1.00 0.00 WT3 H ATOM 40650 H2 TIP3 3637 7.379 9.543 -8.071 1.00 0.00 WT3 H ATOM 40651 OH2 TIP3 3638 2.946 8.414 -4.677 1.00 0.00 WT3 O ATOM 40652 H1 TIP3 3638 7.265 3.655 -8.338 1.00 0.00 WT3 H ATOM 40653 H2 TIP3 3638 0.355 9.162 -4.448 1.00 0.00 WT3 H ATOM 40654 OH2 TIP3 3639 2.874 0.673 2.319 1.00 0.00 WT3 O ATOM 40655 H1 TIP3 3639 18.788 -4.208 -0.887 1.00 0.00 WT3 H ATOM 40656 H2 TIP3 3639 -13.224 -3.148 19.268 1.00 0.00 WT3 H ATOM 40657 OH2 TIP3 3640 7.707 0.870 -1.848 1.00 0.00 WT3 O ATOM 40658 H1 TIP3 3640 9.517 -0.390 12.672 1.00 0.00 WT3 H ATOM 40659 H2 TIP3 3640 -4.116 -13.018 1.910 1.00 0.00 WT3 H ATOM 40660 OH2 TIP3 3641 1.782 -5.335 -3.875 1.00 0.00 WT3 O ATOM 40661 H1 TIP3 3641 6.481 0.352 3.647 1.00 0.00 WT3 H ATOM 40662 H2 TIP3 3641 13.126 -0.175 -0.802 1.00 0.00 WT3 H ATOM 40663 OH2 TIP3 3644 -0.190 -1.920 4.669 1.00 0.00 WT3 O ATOM 40664 H1 TIP3 3644 -6.382 -13.712 4.930 1.00 0.00 WT3 H ATOM 40665 H2 TIP3 3644 -3.201 10.893 -0.838 1.00 0.00 WT3 H ATOM 40666 OH2 TIP3 3645 -5.370 -1.151 -1.014 1.00 0.00 WT3 O ATOM 40667 H1 TIP3 3645 -6.723 3.838 -3.792 1.00 0.00 WT3 H ATOM 40668 H2 TIP3 3645 -11.527 6.658 0.252 1.00 0.00 WT3 H ATOM 40669 OH2 TIP3 3646 5.708 1.055 4.545 1.00 0.00 WT3 O ATOM 40670 H1 TIP3 3646 11.023 -3.221 12.113 1.00 0.00 WT3 H ATOM 40671 H2 TIP3 3646 23.403 17.394 25.095 1.00 0.00 WT3 H ATOM 40672 OH2 TIP3 3647 -2.117 -0.821 0.069 1.00 0.00 WT3 O ATOM 40673 H1 TIP3 3647 -3.539 5.687 1.594 1.00 0.00 WT3 H ATOM 40674 H2 TIP3 3647 3.983 -1.421 2.954 1.00 0.00 WT3 H ATOM 40675 OH2 TIP3 3648 -0.947 -0.427 0.429 1.00 0.00 WT3 O ATOM 40676 H1 TIP3 3648 8.991 6.634 -3.985 1.00 0.00 WT3 H ATOM 40677 H2 TIP3 3648 14.863 -12.391 -18.924 1.00 0.00 WT3 H ATOM 40678 OH2 TIP3 3649 -2.348 -6.356 2.417 1.00 0.00 WT3 O ATOM 40679 H1 TIP3 3649 -2.744 -9.527 12.416 1.00 0.00 WT3 H ATOM 40680 H2 TIP3 3649 -0.671 -2.028 -17.234 1.00 0.00 WT3 H ATOM 40681 OH2 TIP3 3650 -2.325 -0.072 -6.412 1.00 0.00 WT3 O ATOM 40682 H1 TIP3 3650 9.326 4.891 14.227 1.00 0.00 WT3 H ATOM 40683 H2 TIP3 3650 8.767 8.265 -2.594 1.00 0.00 WT3 H ATOM 40684 OH2 TIP3 3651 -3.386 -6.339 5.970 1.00 0.00 WT3 O ATOM 40685 H1 TIP3 3651 2.587 -8.657 -15.685 1.00 0.00 WT3 H ATOM 40686 H2 TIP3 3651 -5.846 -27.356 10.423 1.00 0.00 WT3 H ATOM 40687 OH2 TIP3 3652 0.066 -1.730 -6.161 1.00 0.00 WT3 O ATOM 40688 H1 TIP3 3652 8.044 5.210 -1.379 1.00 0.00 WT3 H ATOM 40689 H2 TIP3 3652 -2.656 -8.763 8.646 1.00 0.00 WT3 H ATOM 40690 OH2 TIP3 3653 -0.904 1.292 -1.810 1.00 0.00 WT3 O ATOM 40691 H1 TIP3 3653 -5.433 -10.210 -19.303 1.00 0.00 WT3 H ATOM 40692 H2 TIP3 3653 20.739 15.665 -11.276 1.00 0.00 WT3 H ATOM 40693 OH2 TIP3 3654 -4.902 3.461 4.092 1.00 0.00 WT3 O ATOM 40694 H1 TIP3 3654 40.552 25.320 4.715 1.00 0.00 WT3 H ATOM 40695 H2 TIP3 3654 -15.618 -2.337 -9.552 1.00 0.00 WT3 H ATOM 40696 OH2 TIP3 3655 -6.954 0.437 -1.040 1.00 0.00 WT3 O ATOM 40697 H1 TIP3 3655 -19.636 -10.446 -5.803 1.00 0.00 WT3 H ATOM 40698 H2 TIP3 3655 6.405 -8.887 1.804 1.00 0.00 WT3 H ATOM 40699 OH2 TIP3 3656 -3.133 3.518 -1.280 1.00 0.00 WT3 O ATOM 40700 H1 TIP3 3656 -1.429 -4.540 6.614 1.00 0.00 WT3 H ATOM 40701 H2 TIP3 3656 -20.781 6.530 25.291 1.00 0.00 WT3 H ATOM 40702 OH2 TIP3 3657 3.808 6.614 1.983 1.00 0.00 WT3 O ATOM 40703 H1 TIP3 3657 -22.158 12.875 22.457 1.00 0.00 WT3 H ATOM 40704 H2 TIP3 3657 0.422 -4.057 8.894 1.00 0.00 WT3 H ATOM 40705 OH2 TIP3 3658 -3.101 -1.209 -6.688 1.00 0.00 WT3 O ATOM 40706 H1 TIP3 3658 -15.631 -5.478 -11.088 1.00 0.00 WT3 H ATOM 40707 H2 TIP3 3658 0.400 -19.515 -5.420 1.00 0.00 WT3 H ATOM 40708 OH2 TIP3 3660 2.791 5.746 -4.680 1.00 0.00 WT3 O ATOM 40709 H1 TIP3 3660 13.567 -12.763 9.857 1.00 0.00 WT3 H ATOM 40710 H2 TIP3 3660 3.210 19.485 -6.862 1.00 0.00 WT3 H ATOM 40711 OH2 TIP3 3661 -5.077 -2.140 2.634 1.00 0.00 WT3 O ATOM 40712 H1 TIP3 3661 -10.991 -17.365 3.781 1.00 0.00 WT3 H ATOM 40713 H2 TIP3 3661 -5.647 3.515 19.371 1.00 0.00 WT3 H ATOM 40714 OH2 TIP3 3662 -4.582 -1.432 1.391 1.00 0.00 WT3 O ATOM 40715 H1 TIP3 3662 21.339 -1.153 -4.230 1.00 0.00 WT3 H ATOM 40716 H2 TIP3 3662 -10.135 -24.629 -4.399 1.00 0.00 WT3 H ATOM 40717 OH2 TIP3 3663 -2.109 -0.258 -5.563 1.00 0.00 WT3 O ATOM 40718 H1 TIP3 3663 12.956 8.231 -9.712 1.00 0.00 WT3 H ATOM 40719 H2 TIP3 3663 -4.019 1.806 -11.273 1.00 0.00 WT3 H ATOM 40720 OH2 TIP3 3665 -1.268 -3.987 3.703 1.00 0.00 WT3 O ATOM 40721 H1 TIP3 3665 -6.019 -6.406 5.382 1.00 0.00 WT3 H ATOM 40722 H2 TIP3 3665 11.293 0.599 -1.375 1.00 0.00 WT3 H ATOM 40723 OH2 TIP3 3666 2.558 1.271 -1.638 1.00 0.00 WT3 O ATOM 40724 H1 TIP3 3666 10.477 -1.001 -9.897 1.00 0.00 WT3 H ATOM 40725 H2 TIP3 3666 2.322 16.549 1.016 1.00 0.00 WT3 H ATOM 40726 OH2 TIP3 3667 -1.188 -3.059 1.161 1.00 0.00 WT3 O ATOM 40727 H1 TIP3 3667 -3.357 -1.579 0.882 1.00 0.00 WT3 H ATOM 40728 H2 TIP3 3667 7.062 -13.789 -3.636 1.00 0.00 WT3 H ATOM 40729 OH2 TIP3 3669 -2.580 2.778 0.999 1.00 0.00 WT3 O ATOM 40730 H1 TIP3 3669 6.041 3.780 4.421 1.00 0.00 WT3 H ATOM 40731 H2 TIP3 3669 -3.515 18.549 -7.598 1.00 0.00 WT3 H ATOM 40732 OH2 TIP3 3670 1.266 3.413 -2.937 1.00 0.00 WT3 O ATOM 40733 H1 TIP3 3670 0.907 1.561 -7.387 1.00 0.00 WT3 H ATOM 40734 H2 TIP3 3670 2.253 -1.751 -16.666 1.00 0.00 WT3 H ATOM 40735 OH2 TIP3 3671 -4.195 -0.951 -7.525 1.00 0.00 WT3 O ATOM 40736 H1 TIP3 3671 -14.491 -13.639 -17.843 1.00 0.00 WT3 H ATOM 40737 H2 TIP3 3671 -20.334 0.007 6.795 1.00 0.00 WT3 H ATOM 40738 OH2 TIP3 3672 -0.623 3.123 0.395 1.00 0.00 WT3 O ATOM 40739 H1 TIP3 3672 11.686 19.801 -1.331 1.00 0.00 WT3 H ATOM 40740 H2 TIP3 3672 -17.809 -5.429 -10.409 1.00 0.00 WT3 H ATOM 40741 OH2 TIP3 3673 -0.887 2.732 -3.831 1.00 0.00 WT3 O ATOM 40742 H1 TIP3 3673 -47.383 -4.713 15.273 1.00 0.00 WT3 H ATOM 40743 H2 TIP3 3673 -4.208 0.688 -4.793 1.00 0.00 WT3 H ATOM 40744 OH2 TIP3 3674 -6.290 0.799 -2.455 1.00 0.00 WT3 O ATOM 40745 H1 TIP3 3674 -20.610 -1.410 -15.635 1.00 0.00 WT3 H ATOM 40746 H2 TIP3 3674 -7.927 8.487 7.176 1.00 0.00 WT3 H ATOM 40747 OH2 TIP3 3675 2.113 1.730 0.466 1.00 0.00 WT3 O ATOM 40748 H1 TIP3 3675 9.246 -0.765 -4.226 1.00 0.00 WT3 H ATOM 40749 H2 TIP3 3675 1.356 -1.137 -1.117 1.00 0.00 WT3 H ATOM 40750 OH2 TIP3 3676 -5.095 -5.449 -5.589 1.00 0.00 WT3 O ATOM 40751 H1 TIP3 3676 -16.139 -11.251 -2.811 1.00 0.00 WT3 H ATOM 40752 H2 TIP3 3676 0.507 -1.061 -14.205 1.00 0.00 WT3 H ATOM 40753 OH2 TIP3 3678 -0.121 5.261 1.779 1.00 0.00 WT3 O ATOM 40754 H1 TIP3 3678 0.348 8.110 20.008 1.00 0.00 WT3 H ATOM 40755 H2 TIP3 3678 -7.077 4.991 6.641 1.00 0.00 WT3 H ATOM 40756 OH2 TIP3 3680 -4.466 7.962 6.819 1.00 0.00 WT3 O ATOM 40757 H1 TIP3 3680 -14.739 2.576 -1.715 1.00 0.00 WT3 H ATOM 40758 H2 TIP3 3680 4.753 -16.760 -9.368 1.00 0.00 WT3 H ATOM 40759 OH2 TIP3 3682 3.622 -0.718 -1.127 1.00 0.00 WT3 O ATOM 40760 H1 TIP3 3682 4.823 3.147 -2.586 1.00 0.00 WT3 H ATOM 40761 H2 TIP3 3682 1.302 2.758 -2.525 1.00 0.00 WT3 H ATOM 40762 OH2 TIP3 3684 5.558 2.245 2.265 1.00 0.00 WT3 O ATOM 40763 H1 TIP3 3684 -2.160 4.841 -0.635 1.00 0.00 WT3 H ATOM 40764 H2 TIP3 3684 -2.590 4.744 3.221 1.00 0.00 WT3 H ATOM 40765 OH2 TIP3 3685 -1.348 0.656 0.084 1.00 0.00 WT3 O ATOM 40766 H1 TIP3 3685 -3.968 4.785 1.887 1.00 0.00 WT3 H ATOM 40767 H2 TIP3 3685 -7.544 8.828 1.531 1.00 0.00 WT3 H ATOM 40768 OH2 TIP3 3686 4.256 6.453 7.198 1.00 0.00 WT3 O ATOM 40769 H1 TIP3 3686 -19.461 2.768 -4.056 1.00 0.00 WT3 H ATOM 40770 H2 TIP3 3686 -25.265 12.052 -7.451 1.00 0.00 WT3 H ATOM 40771 OH2 TIP3 3688 -1.730 2.123 -4.977 1.00 0.00 WT3 O ATOM 40772 H1 TIP3 3688 1.151 -33.481 35.380 1.00 0.00 WT3 H ATOM 40773 H2 TIP3 3688 -15.045 -13.985 -22.282 1.00 0.00 WT3 H ATOM 40774 OH2 TIP3 3689 1.530 1.551 0.780 1.00 0.00 WT3 O ATOM 40775 H1 TIP3 3689 15.502 0.138 -4.798 1.00 0.00 WT3 H ATOM 40776 H2 TIP3 3689 -6.335 16.670 -0.801 1.00 0.00 WT3 H ATOM 40777 OH2 TIP3 3690 -5.146 1.254 0.417 1.00 0.00 WT3 O ATOM 40778 H1 TIP3 3690 2.035 -6.051 -11.794 1.00 0.00 WT3 H ATOM 40779 H2 TIP3 3690 3.850 25.711 1.397 1.00 0.00 WT3 H ATOM 40780 OH2 TIP3 3691 1.783 6.199 -7.949 1.00 0.00 WT3 O ATOM 40781 H1 TIP3 3691 16.505 -10.398 5.750 1.00 0.00 WT3 H ATOM 40782 H2 TIP3 3691 10.679 10.855 -7.627 1.00 0.00 WT3 H ATOM 40783 OH2 TIP3 3692 2.516 -0.404 -1.773 1.00 0.00 WT3 O ATOM 40784 H1 TIP3 3692 11.485 -19.513 -0.408 1.00 0.00 WT3 H ATOM 40785 H2 TIP3 3692 10.190 -10.630 -0.686 1.00 0.00 WT3 H ATOM 40786 OH2 TIP3 3693 -2.395 -3.345 2.553 1.00 0.00 WT3 O ATOM 40787 H1 TIP3 3693 4.064 -16.531 21.057 1.00 0.00 WT3 H ATOM 40788 H2 TIP3 3693 -2.619 13.969 -14.657 1.00 0.00 WT3 H ATOM 40789 OH2 TIP3 3694 -0.398 4.903 4.229 1.00 0.00 WT3 O ATOM 40790 H1 TIP3 3694 19.214 19.230 -12.487 1.00 0.00 WT3 H ATOM 40791 H2 TIP3 3694 -2.574 3.539 7.373 1.00 0.00 WT3 H ATOM 40792 OH2 TIP3 3695 1.290 -0.829 0.097 1.00 0.00 WT3 O ATOM 40793 H1 TIP3 3695 29.467 19.043 0.024 1.00 0.00 WT3 H ATOM 40794 H2 TIP3 3695 7.945 17.949 -27.396 1.00 0.00 WT3 H ATOM 40795 OH2 TIP3 3696 -0.958 5.953 0.759 1.00 0.00 WT3 O ATOM 40796 H1 TIP3 3696 12.079 10.955 -14.454 1.00 0.00 WT3 H ATOM 40797 H2 TIP3 3696 -13.570 -5.868 3.396 1.00 0.00 WT3 H ATOM 40798 OH2 TIP3 3697 1.452 -2.209 -5.174 1.00 0.00 WT3 O ATOM 40799 H1 TIP3 3697 -0.509 -0.983 -12.758 1.00 0.00 WT3 H ATOM 40800 H2 TIP3 3697 -1.536 2.504 5.729 1.00 0.00 WT3 H ATOM 40801 OH2 TIP3 3700 -4.409 -5.083 -0.241 1.00 0.00 WT3 O ATOM 40802 H1 TIP3 3700 7.442 26.693 -13.361 1.00 0.00 WT3 H ATOM 40803 H2 TIP3 3700 4.356 17.142 -5.522 1.00 0.00 WT3 H ATOM 40804 OH2 TIP3 3701 -7.744 -0.510 -1.440 1.00 0.00 WT3 O ATOM 40805 H1 TIP3 3701 -6.235 13.372 3.290 1.00 0.00 WT3 H ATOM 40806 H2 TIP3 3701 -10.759 -4.141 6.712 1.00 0.00 WT3 H ATOM 40807 OH2 TIP3 3703 3.364 -4.224 -0.301 1.00 0.00 WT3 O ATOM 40808 H1 TIP3 3703 3.885 -14.612 15.815 1.00 0.00 WT3 H ATOM 40809 H2 TIP3 3703 -16.227 10.097 -4.145 1.00 0.00 WT3 H ATOM 40810 OH2 TIP3 3704 1.374 -0.615 -0.769 1.00 0.00 WT3 O ATOM 40811 H1 TIP3 3704 2.113 1.996 -6.637 1.00 0.00 WT3 H ATOM 40812 H2 TIP3 3704 -7.382 9.137 2.631 1.00 0.00 WT3 H ATOM 40813 OH2 TIP3 3707 5.945 0.951 3.223 1.00 0.00 WT3 O ATOM 40814 H1 TIP3 3707 5.545 10.878 -6.522 1.00 0.00 WT3 H ATOM 40815 H2 TIP3 3707 -6.610 -3.553 4.191 1.00 0.00 WT3 H ATOM 40816 OH2 TIP3 3708 3.467 1.314 2.089 1.00 0.00 WT3 O ATOM 40817 H1 TIP3 3708 -10.444 32.186 -28.120 1.00 0.00 WT3 H ATOM 40818 H2 TIP3 3708 11.628 -31.479 -5.605 1.00 0.00 WT3 H ATOM 40819 OH2 TIP3 3709 2.785 -0.430 6.473 1.00 0.00 WT3 O ATOM 40820 H1 TIP3 3709 -0.013 -0.596 7.412 1.00 0.00 WT3 H ATOM 40821 H2 TIP3 3709 -29.050 -13.489 5.460 1.00 0.00 WT3 H ATOM 40822 OH2 TIP3 3710 1.175 -1.613 -0.908 1.00 0.00 WT3 O ATOM 40823 H1 TIP3 3710 -11.232 6.005 -4.068 1.00 0.00 WT3 H ATOM 40824 H2 TIP3 3710 13.877 8.340 -5.055 1.00 0.00 WT3 H ATOM 40825 OH2 TIP3 3712 -1.280 -5.878 -0.044 1.00 0.00 WT3 O ATOM 40826 H1 TIP3 3712 -0.058 -8.150 -3.422 1.00 0.00 WT3 H ATOM 40827 H2 TIP3 3712 -1.294 -2.614 13.202 1.00 0.00 WT3 H ATOM 40828 OH2 TIP3 3715 4.700 1.319 -5.277 1.00 0.00 WT3 O ATOM 40829 H1 TIP3 3715 1.296 14.371 -39.045 1.00 0.00 WT3 H ATOM 40830 H2 TIP3 3715 -15.869 -12.435 -11.359 1.00 0.00 WT3 H ATOM 40831 OH2 TIP3 3716 3.452 -0.234 3.802 1.00 0.00 WT3 O ATOM 40832 H1 TIP3 3716 11.359 14.465 6.556 1.00 0.00 WT3 H ATOM 40833 H2 TIP3 3716 14.810 13.085 -4.447 1.00 0.00 WT3 H ATOM 40834 OH2 TIP3 3717 -2.104 3.031 -3.305 1.00 0.00 WT3 O ATOM 40835 H1 TIP3 3717 -6.980 -7.506 0.559 1.00 0.00 WT3 H ATOM 40836 H2 TIP3 3717 -11.912 10.635 -4.586 1.00 0.00 WT3 H ATOM 40837 OH2 TIP3 3718 -4.056 0.597 3.645 1.00 0.00 WT3 O ATOM 40838 H1 TIP3 3718 4.578 -3.271 12.187 1.00 0.00 WT3 H ATOM 40839 H2 TIP3 3718 -1.613 -1.188 7.503 1.00 0.00 WT3 H ATOM 40840 OH2 TIP3 3720 -0.904 -7.264 -2.661 1.00 0.00 WT3 O ATOM 40841 H1 TIP3 3720 -3.854 -8.692 -1.795 1.00 0.00 WT3 H ATOM 40842 H2 TIP3 3720 -0.942 -4.611 3.976 1.00 0.00 WT3 H ATOM 40843 OH2 TIP3 3721 1.913 0.950 5.219 1.00 0.00 WT3 O ATOM 40844 H1 TIP3 3721 11.080 0.842 -5.208 1.00 0.00 WT3 H ATOM 40845 H2 TIP3 3721 7.342 7.794 0.514 1.00 0.00 WT3 H ATOM 40846 OH2 TIP3 3722 4.675 -1.768 1.439 1.00 0.00 WT3 O ATOM 40847 H1 TIP3 3722 -2.738 -31.430 -11.823 1.00 0.00 WT3 H ATOM 40848 H2 TIP3 3722 1.123 -5.035 -2.411 1.00 0.00 WT3 H ATOM 40849 OH2 TIP3 3723 -1.313 -7.345 -2.895 1.00 0.00 WT3 O ATOM 40850 H1 TIP3 3723 -24.657 1.541 4.240 1.00 0.00 WT3 H ATOM 40851 H2 TIP3 3723 5.232 -1.942 -5.982 1.00 0.00 WT3 H ATOM 40852 OH2 TIP3 3724 3.013 3.343 -0.865 1.00 0.00 WT3 O ATOM 40853 H1 TIP3 3724 1.833 -17.905 -8.236 1.00 0.00 WT3 H ATOM 40854 H2 TIP3 3724 2.064 19.557 -2.188 1.00 0.00 WT3 H ATOM 40855 OH2 TIP3 3725 -0.099 3.210 -5.245 1.00 0.00 WT3 O ATOM 40856 H1 TIP3 3725 3.843 -1.947 -12.912 1.00 0.00 WT3 H ATOM 40857 H2 TIP3 3725 -3.813 10.806 -9.520 1.00 0.00 WT3 H ATOM 40858 OH2 TIP3 3726 -1.937 -4.302 -0.653 1.00 0.00 WT3 O ATOM 40859 H1 TIP3 3726 -9.134 0.802 -7.230 1.00 0.00 WT3 H ATOM 40860 H2 TIP3 3726 -23.215 -27.964 -7.329 1.00 0.00 WT3 H ATOM 40861 OH2 TIP3 3727 -4.014 -7.710 4.787 1.00 0.00 WT3 O ATOM 40862 H1 TIP3 3727 -5.344 -6.682 2.983 1.00 0.00 WT3 H ATOM 40863 H2 TIP3 3727 -5.272 -7.110 7.768 1.00 0.00 WT3 H ATOM 40864 OH2 TIP3 3728 -1.649 2.300 9.788 1.00 0.00 WT3 O ATOM 40865 H1 TIP3 3728 -0.074 13.371 11.995 1.00 0.00 WT3 H ATOM 40866 H2 TIP3 3728 8.545 -19.262 -13.109 1.00 0.00 WT3 H ATOM 40867 OH2 TIP3 3729 -2.218 4.744 -1.772 1.00 0.00 WT3 O ATOM 40868 H1 TIP3 3729 -7.172 -10.884 -10.572 1.00 0.00 WT3 H ATOM 40869 H2 TIP3 3729 2.555 2.280 -14.960 1.00 0.00 WT3 H ATOM 40870 OH2 TIP3 3732 -4.161 -0.814 -2.670 1.00 0.00 WT3 O ATOM 40871 H1 TIP3 3732 5.801 12.037 -0.046 1.00 0.00 WT3 H ATOM 40872 H2 TIP3 3732 -18.900 3.764 3.042 1.00 0.00 WT3 H ATOM 40873 OH2 TIP3 3733 0.445 0.071 5.350 1.00 0.00 WT3 O ATOM 40874 H1 TIP3 3733 5.461 -2.153 6.321 1.00 0.00 WT3 H ATOM 40875 H2 TIP3 3733 9.918 0.134 -0.252 1.00 0.00 WT3 H ATOM 40876 OH2 TIP3 3734 -1.157 -7.003 3.825 1.00 0.00 WT3 O ATOM 40877 H1 TIP3 3734 -0.995 8.948 -14.735 1.00 0.00 WT3 H ATOM 40878 H2 TIP3 3734 -3.182 -17.630 20.302 1.00 0.00 WT3 H ATOM 40879 OH2 TIP3 3736 0.376 -6.920 5.178 1.00 0.00 WT3 O ATOM 40880 H1 TIP3 3736 -1.709 15.295 3.544 1.00 0.00 WT3 H ATOM 40881 H2 TIP3 3736 21.919 -10.065 7.569 1.00 0.00 WT3 H ATOM 40882 OH2 TIP3 3738 0.147 3.487 -6.319 1.00 0.00 WT3 O ATOM 40883 H1 TIP3 3738 1.229 -2.569 -3.294 1.00 0.00 WT3 H ATOM 40884 H2 TIP3 3738 0.706 4.668 -0.597 1.00 0.00 WT3 H ATOM 40885 OH2 TIP3 3740 -3.786 -0.893 -2.804 1.00 0.00 WT3 O ATOM 40886 H1 TIP3 3740 -1.089 -3.146 -17.190 1.00 0.00 WT3 H ATOM 40887 H2 TIP3 3740 4.725 9.713 -22.045 1.00 0.00 WT3 H ATOM 40888 OH2 TIP3 3741 0.322 -4.147 -3.124 1.00 0.00 WT3 O ATOM 40889 H1 TIP3 3741 2.708 2.436 -10.375 1.00 0.00 WT3 H ATOM 40890 H2 TIP3 3741 -2.185 -3.813 6.844 1.00 0.00 WT3 H ATOM 40891 OH2 TIP3 3742 -4.426 2.340 0.775 1.00 0.00 WT3 O ATOM 40892 H1 TIP3 3742 -20.161 -9.489 -0.155 1.00 0.00 WT3 H ATOM 40893 H2 TIP3 3742 6.172 5.348 -10.358 1.00 0.00 WT3 H ATOM 40894 OH2 TIP3 3745 -2.013 -3.764 1.798 1.00 0.00 WT3 O ATOM 40895 H1 TIP3 3745 -13.276 31.965 -11.978 1.00 0.00 WT3 H ATOM 40896 H2 TIP3 3745 13.487 19.048 -8.997 1.00 0.00 WT3 H ATOM 40897 OH2 TIP3 3750 3.618 7.368 -1.724 1.00 0.00 WT3 O ATOM 40898 H1 TIP3 3750 -1.197 13.820 3.970 1.00 0.00 WT3 H ATOM 40899 H2 TIP3 3750 4.802 3.840 -9.539 1.00 0.00 WT3 H ATOM 40900 OH2 TIP3 3751 4.875 -3.816 1.564 1.00 0.00 WT3 O ATOM 40901 H1 TIP3 3751 -11.141 19.208 -11.365 1.00 0.00 WT3 H ATOM 40902 H2 TIP3 3751 -0.364 6.452 -2.638 1.00 0.00 WT3 H ATOM 40903 OH2 TIP3 3753 5.365 0.985 -1.168 1.00 0.00 WT3 O ATOM 40904 H1 TIP3 3753 7.018 1.516 4.144 1.00 0.00 WT3 H ATOM 40905 H2 TIP3 3753 -0.451 4.158 -1.549 1.00 0.00 WT3 H ATOM 40906 OH2 TIP3 3754 -0.803 -0.485 7.709 1.00 0.00 WT3 O ATOM 40907 H1 TIP3 3754 5.299 -3.876 -0.697 1.00 0.00 WT3 H ATOM 40908 H2 TIP3 3754 -14.582 4.492 21.397 1.00 0.00 WT3 H ATOM 40909 OH2 TIP3 3757 4.759 -0.182 1.558 1.00 0.00 WT3 O ATOM 40910 H1 TIP3 3757 7.561 12.547 12.083 1.00 0.00 WT3 H ATOM 40911 H2 TIP3 3757 18.042 -2.108 -16.238 1.00 0.00 WT3 H ATOM 40912 OH2 TIP3 3759 2.286 8.728 -1.729 1.00 0.00 WT3 O ATOM 40913 H1 TIP3 3759 18.016 7.891 -5.491 1.00 0.00 WT3 H ATOM 40914 H2 TIP3 3759 -4.770 0.190 -9.832 1.00 0.00 WT3 H ATOM 40915 OH2 TIP3 3775 -1.830 2.348 4.569 1.00 0.00 WT3 O ATOM 40916 H1 TIP3 3775 -3.101 13.703 -15.205 1.00 0.00 WT3 H ATOM 40917 H2 TIP3 3775 2.321 -18.675 -4.953 1.00 0.00 WT3 H ATOM 40918 OH2 TIP3 3778 -7.095 0.414 3.143 1.00 0.00 WT3 O ATOM 40919 H1 TIP3 3778 -12.486 -11.899 -21.749 1.00 0.00 WT3 H ATOM 40920 H2 TIP3 3778 -17.337 -14.912 22.963 1.00 0.00 WT3 H ATOM 40921 OH2 TIP3 3787 3.090 0.323 5.041 1.00 0.00 WT3 O ATOM 40922 H1 TIP3 3787 -13.893 8.695 -2.895 1.00 0.00 WT3 H ATOM 40923 H2 TIP3 3787 -3.106 -18.184 12.070 1.00 0.00 WT3 H ATOM 40924 OH2 TIP3 3792 2.221 -12.533 0.835 1.00 0.00 WT3 O ATOM 40925 H1 TIP3 3792 4.958 -9.205 -6.159 1.00 0.00 WT3 H ATOM 40926 H2 TIP3 3792 4.247 -13.783 0.044 1.00 0.00 WT3 H ATOM 40927 OH2 TIP3 3795 -6.774 -1.839 -5.296 1.00 0.00 WT3 O ATOM 40928 H1 TIP3 3795 16.071 -14.208 21.815 1.00 0.00 WT3 H ATOM 40929 H2 TIP3 3795 -3.545 1.499 -13.400 1.00 0.00 WT3 H ATOM 40930 OH2 TIP3 3803 0.556 7.218 -3.184 1.00 0.00 WT3 O ATOM 40931 H1 TIP3 3803 7.673 10.738 2.101 1.00 0.00 WT3 H ATOM 40932 H2 TIP3 3803 14.249 0.025 8.086 1.00 0.00 WT3 H ATOM 40933 OH2 TIP3 3821 1.661 2.436 -1.621 1.00 0.00 WT3 O ATOM 40934 H1 TIP3 3821 7.630 39.222 -17.533 1.00 0.00 WT3 H ATOM 40935 H2 TIP3 3821 20.423 -12.059 15.532 1.00 0.00 WT3 H ATOM 40936 OH2 TIP3 3829 3.417 0.292 0.833 1.00 0.00 WT3 O ATOM 40937 H1 TIP3 3829 -4.833 -13.498 -4.852 1.00 0.00 WT3 H ATOM 40938 H2 TIP3 3829 15.366 3.714 -0.778 1.00 0.00 WT3 H ATOM 40939 OH2 TIP3 3834 -10.364 0.578 2.645 1.00 0.00 WT3 O ATOM 40940 H1 TIP3 3834 -14.020 3.897 -7.560 1.00 0.00 WT3 H ATOM 40941 H2 TIP3 3834 -16.887 -9.344 3.699 1.00 0.00 WT3 H ATOM 40942 OH2 TIP3 3906 5.812 -1.341 -1.259 1.00 0.00 WT3 O ATOM 40943 H1 TIP3 3906 -0.637 -6.798 -23.306 1.00 0.00 WT3 H ATOM 40944 H2 TIP3 3906 11.563 3.384 -8.327 1.00 0.00 WT3 H ATOM 40945 OH2 TIP3 3924 -0.934 1.826 -5.099 1.00 0.00 WT3 O ATOM 40946 H1 TIP3 3924 15.646 -2.435 3.207 1.00 0.00 WT3 H ATOM 40947 H2 TIP3 3924 -12.664 -11.664 1.887 1.00 0.00 WT3 H ATOM 40948 OH2 TIP3 3925 -1.722 2.130 4.029 1.00 0.00 WT3 O ATOM 40949 H1 TIP3 3925 1.757 -18.069 23.027 1.00 0.00 WT3 H ATOM 40950 H2 TIP3 3925 -1.079 1.139 8.686 1.00 0.00 WT3 H ATOM 40951 OH2 TIP3 3931 -1.953 -0.014 -2.750 1.00 0.00 WT3 O ATOM 40952 H1 TIP3 3931 -3.366 3.834 -6.991 1.00 0.00 WT3 H ATOM 40953 H2 TIP3 3931 -15.723 -11.347 -18.946 1.00 0.00 WT3 H ATOM 40954 OH2 TIP3 3933 -2.611 3.458 0.134 1.00 0.00 WT3 O ATOM 40955 H1 TIP3 3933 5.443 2.124 18.453 1.00 0.00 WT3 H ATOM 40956 H2 TIP3 3933 8.238 -14.537 8.494 1.00 0.00 WT3 H ATOM 40957 OH2 TIP3 3935 -7.335 -5.568 3.041 1.00 0.00 WT3 O ATOM 40958 H1 TIP3 3935 -12.429 10.939 -6.470 1.00 0.00 WT3 H ATOM 40959 H2 TIP3 3935 5.529 -13.921 -24.344 1.00 0.00 WT3 H ATOM 40960 OH2 TIP3 3951 -1.383 9.089 -4.749 1.00 0.00 WT3 O ATOM 40961 H1 TIP3 3951 -2.442 9.826 -2.902 1.00 0.00 WT3 H ATOM 40962 H2 TIP3 3951 -10.130 29.959 -21.358 1.00 0.00 WT3 H ATOM 40963 OH2 TIP3 3953 1.957 1.330 -3.020 1.00 0.00 WT3 O ATOM 40964 H1 TIP3 3953 -4.442 -12.164 -4.156 1.00 0.00 WT3 H ATOM 40965 H2 TIP3 3953 -24.889 -1.477 -9.650 1.00 0.00 WT3 H ATOM 40966 OH2 TIP3 3973 -1.424 5.652 3.658 1.00 0.00 WT3 O ATOM 40967 H1 TIP3 3973 -5.719 0.241 -6.887 1.00 0.00 WT3 H ATOM 40968 H2 TIP3 3973 11.867 -3.582 -0.853 1.00 0.00 WT3 H ATOM 40969 OH2 TIP3 3974 4.672 2.950 -3.462 1.00 0.00 WT3 O ATOM 40970 H1 TIP3 3974 -5.678 -2.463 2.276 1.00 0.00 WT3 H ATOM 40971 H2 TIP3 3974 -8.947 11.291 26.539 1.00 0.00 WT3 H ATOM 40972 OH2 TIP3 3975 -0.153 5.990 3.009 1.00 0.00 WT3 O ATOM 40973 H1 TIP3 3975 0.123 2.464 0.641 1.00 0.00 WT3 H ATOM 40974 H2 TIP3 3975 -1.619 31.237 -13.085 1.00 0.00 WT3 H ATOM 40975 OH2 TIP3 3976 -3.693 -2.477 -2.541 1.00 0.00 WT3 O ATOM 40976 H1 TIP3 3976 36.930 9.014 31.081 1.00 0.00 WT3 H ATOM 40977 H2 TIP3 3976 -5.936 -5.496 -7.584 1.00 0.00 WT3 H ATOM 40978 OH2 TIP3 3977 1.806 1.469 -1.776 1.00 0.00 WT3 O ATOM 40979 H1 TIP3 3977 -0.181 -17.420 1.454 1.00 0.00 WT3 H ATOM 40980 H2 TIP3 3977 11.689 2.127 -19.032 1.00 0.00 WT3 H ATOM 40981 OH2 TIP3 3986 4.459 2.485 5.615 1.00 0.00 WT3 O ATOM 40982 H1 TIP3 3986 2.054 5.868 22.134 1.00 0.00 WT3 H ATOM 40983 H2 TIP3 3986 19.023 8.590 1.812 1.00 0.00 WT3 H ATOM 40984 OH2 TIP3 3991 -0.128 3.385 3.236 1.00 0.00 WT3 O ATOM 40985 H1 TIP3 3991 -9.380 21.458 0.950 1.00 0.00 WT3 H ATOM 40986 H2 TIP3 3991 -9.410 21.851 0.855 1.00 0.00 WT3 H ATOM 40987 OH2 TIP3 3992 -1.529 6.332 1.241 1.00 0.00 WT3 O ATOM 40988 H1 TIP3 3992 29.941 3.723 9.206 1.00 0.00 WT3 H ATOM 40989 H2 TIP3 3992 16.701 -1.024 9.481 1.00 0.00 WT3 H ATOM 40990 OH2 TIP3 3993 6.301 -4.698 -7.606 1.00 0.00 WT3 O ATOM 40991 H1 TIP3 3993 -1.630 -3.097 -32.625 1.00 0.00 WT3 H ATOM 40992 H2 TIP3 3993 31.834 14.937 9.150 1.00 0.00 WT3 H ATOM 40993 OH2 TIP3 3995 1.775 3.036 -5.631 1.00 0.00 WT3 O ATOM 40994 H1 TIP3 3995 -4.315 25.686 12.272 1.00 0.00 WT3 H ATOM 40995 H2 TIP3 3995 -19.520 -9.047 5.944 1.00 0.00 WT3 H ATOM 40996 OH2 TIP3 3996 0.768 2.983 3.642 1.00 0.00 WT3 O ATOM 40997 H1 TIP3 3996 4.232 5.397 -0.300 1.00 0.00 WT3 H ATOM 40998 H2 TIP3 3996 12.236 -12.444 14.837 1.00 0.00 WT3 H ATOM 40999 OH2 TIP3 3997 1.141 3.671 -1.135 1.00 0.00 WT3 O ATOM 41000 H1 TIP3 3997 14.813 -5.850 -3.152 1.00 0.00 WT3 H ATOM 41001 H2 TIP3 3997 -19.932 -15.090 16.966 1.00 0.00 WT3 H ATOM 41002 OH2 TIP3 4000 3.323 9.876 -0.663 1.00 0.00 WT3 O ATOM 41003 H1 TIP3 4000 5.926 18.806 -7.698 1.00 0.00 WT3 H ATOM 41004 H2 TIP3 4000 -2.496 -7.030 6.913 1.00 0.00 WT3 H ATOM 41005 OH2 TIP3 4001 0.666 -1.763 -6.380 1.00 0.00 WT3 O ATOM 41006 H1 TIP3 4001 0.656 0.187 -12.135 1.00 0.00 WT3 H ATOM 41007 H2 TIP3 4001 10.162 -17.179 -28.079 1.00 0.00 WT3 H ATOM 41008 OH2 TIP3 4007 5.646 2.828 0.314 1.00 0.00 WT3 O ATOM 41009 H1 TIP3 4007 -11.334 -24.834 -2.964 1.00 0.00 WT3 H ATOM 41010 H2 TIP3 4007 9.129 -4.307 -10.532 1.00 0.00 WT3 H ATOM 41011 OH2 TIP3 4009 -3.904 -5.136 -2.693 1.00 0.00 WT3 O ATOM 41012 H1 TIP3 4009 -11.079 -0.438 13.788 1.00 0.00 WT3 H ATOM 41013 H2 TIP3 4009 6.144 -10.319 -10.800 1.00 0.00 WT3 H ATOM 41014 OH2 TIP3 4010 -4.658 3.556 1.506 1.00 0.00 WT3 O ATOM 41015 H1 TIP3 4010 -4.007 1.976 2.502 1.00 0.00 WT3 H ATOM 41016 H2 TIP3 4010 -5.451 1.297 -1.403 1.00 0.00 WT3 H ATOM 41017 OH2 TIP3 4012 1.656 -5.234 7.418 1.00 0.00 WT3 O ATOM 41018 H1 TIP3 4012 2.028 -10.551 12.595 1.00 0.00 WT3 H ATOM 41019 H2 TIP3 4012 -5.838 1.151 -2.904 1.00 0.00 WT3 H ATOM 41020 OH2 TIP3 4013 -2.137 0.571 -0.144 1.00 0.00 WT3 O ATOM 41021 H1 TIP3 4013 -10.146 21.012 -13.041 1.00 0.00 WT3 H ATOM 41022 H2 TIP3 4013 0.489 19.750 13.198 1.00 0.00 WT3 H ATOM 41023 OH2 TIP3 4014 1.823 0.882 1.560 1.00 0.00 WT3 O ATOM 41024 H1 TIP3 4014 9.157 -9.682 1.490 1.00 0.00 WT3 H ATOM 41025 H2 TIP3 4014 7.015 18.277 -23.924 1.00 0.00 WT3 H ATOM 41026 OH2 TIP3 4015 -0.573 1.134 -2.284 1.00 0.00 WT3 O ATOM 41027 H1 TIP3 4015 -4.099 3.849 -20.994 1.00 0.00 WT3 H ATOM 41028 H2 TIP3 4015 11.520 -5.863 6.691 1.00 0.00 WT3 H ATOM 41029 OH2 TIP3 4016 -2.230 6.657 -3.782 1.00 0.00 WT3 O ATOM 41030 H1 TIP3 4016 3.102 7.901 11.700 1.00 0.00 WT3 H ATOM 41031 H2 TIP3 4016 -7.737 10.479 -3.849 1.00 0.00 WT3 H ATOM 41032 OH2 TIP3 4017 -0.974 4.933 -2.700 1.00 0.00 WT3 O ATOM 41033 H1 TIP3 4017 -10.738 -17.264 -22.568 1.00 0.00 WT3 H ATOM 41034 H2 TIP3 4017 1.032 15.845 5.992 1.00 0.00 WT3 H ATOM 41035 OH2 TIP3 4018 1.811 -1.521 -4.634 1.00 0.00 WT3 O ATOM 41036 H1 TIP3 4018 -3.868 -2.175 -10.321 1.00 0.00 WT3 H ATOM 41037 H2 TIP3 4018 6.954 2.329 -11.230 1.00 0.00 WT3 H ATOM 41038 OH2 TIP3 4019 -2.942 -3.273 7.228 1.00 0.00 WT3 O ATOM 41039 H1 TIP3 4019 -28.000 -23.726 18.441 1.00 0.00 WT3 H ATOM 41040 H2 TIP3 4019 38.998 27.828 -3.442 1.00 0.00 WT3 H ATOM 41041 OH2 TIP3 4020 0.531 5.124 3.437 1.00 0.00 WT3 O ATOM 41042 H1 TIP3 4020 17.167 11.684 -13.840 1.00 0.00 WT3 H ATOM 41043 H2 TIP3 4020 -1.913 -25.901 12.679 1.00 0.00 WT3 H ATOM 41044 OH2 TIP3 4021 -6.207 -3.400 -0.963 1.00 0.00 WT3 O ATOM 41045 H1 TIP3 4021 -2.389 -8.290 7.275 1.00 0.00 WT3 H ATOM 41046 H2 TIP3 4021 -6.356 11.664 -4.279 1.00 0.00 WT3 H ATOM 41047 OH2 TIP3 4022 7.190 0.300 4.404 1.00 0.00 WT3 O ATOM 41048 H1 TIP3 4022 5.052 2.829 1.714 1.00 0.00 WT3 H ATOM 41049 H2 TIP3 4022 5.769 2.015 0.183 1.00 0.00 WT3 H ATOM 41050 OH2 TIP3 4025 1.646 -4.427 4.555 1.00 0.00 WT3 O ATOM 41051 H1 TIP3 4025 -3.058 -0.797 -11.051 1.00 0.00 WT3 H ATOM 41052 H2 TIP3 4025 19.919 10.652 -5.442 1.00 0.00 WT3 H ATOM 41053 OH2 TIP3 4026 -0.015 -5.285 -5.325 1.00 0.00 WT3 O ATOM 41054 H1 TIP3 4026 8.262 -16.974 -9.678 1.00 0.00 WT3 H ATOM 41055 H2 TIP3 4026 -9.690 -9.257 -9.589 1.00 0.00 WT3 H ATOM 41056 OH2 TIP3 4030 -0.310 2.311 1.726 1.00 0.00 WT3 O ATOM 41057 H1 TIP3 4030 5.210 12.544 6.614 1.00 0.00 WT3 H ATOM 41058 H2 TIP3 4030 -6.614 -2.405 9.310 1.00 0.00 WT3 H ATOM 41059 OH2 TIP3 4032 -1.277 -0.346 0.979 1.00 0.00 WT3 O ATOM 41060 H1 TIP3 4032 -4.961 -7.466 -0.108 1.00 0.00 WT3 H ATOM 41061 H2 TIP3 4032 -0.868 8.073 -3.714 1.00 0.00 WT3 H ATOM 41062 OH2 TIP3 4035 -4.328 5.646 3.222 1.00 0.00 WT3 O ATOM 41063 H1 TIP3 4035 0.648 21.522 14.537 1.00 0.00 WT3 H ATOM 41064 H2 TIP3 4035 -15.756 6.651 9.235 1.00 0.00 WT3 H ATOM 41065 OH2 TIP3 4036 -1.902 -1.524 3.836 1.00 0.00 WT3 O ATOM 41066 H1 TIP3 4036 11.277 -7.958 -32.928 1.00 0.00 WT3 H ATOM 41067 H2 TIP3 4036 39.226 -0.456 -1.476 1.00 0.00 WT3 H ATOM 41068 OH2 TIP3 4037 4.378 -0.515 -5.353 1.00 0.00 WT3 O ATOM 41069 H1 TIP3 4037 -0.689 -7.515 -19.651 1.00 0.00 WT3 H ATOM 41070 H2 TIP3 4037 33.015 5.893 -6.957 1.00 0.00 WT3 H ATOM 41071 OH2 TIP3 4039 3.739 0.624 1.509 1.00 0.00 WT3 O ATOM 41072 H1 TIP3 4039 -17.434 1.420 -6.393 1.00 0.00 WT3 H ATOM 41073 H2 TIP3 4039 8.751 3.724 -12.525 1.00 0.00 WT3 H ATOM 41074 OH2 TIP3 4040 2.590 -1.731 -2.887 1.00 0.00 WT3 O ATOM 41075 H1 TIP3 4040 11.443 -3.565 1.721 1.00 0.00 WT3 H ATOM 41076 H2 TIP3 4040 7.938 -2.991 0.101 1.00 0.00 WT3 H ATOM 41077 OH2 TIP3 4043 0.938 2.016 -5.044 1.00 0.00 WT3 O ATOM 41078 H1 TIP3 4043 -5.833 7.231 -12.119 1.00 0.00 WT3 H ATOM 41079 H2 TIP3 4043 11.676 2.046 -6.773 1.00 0.00 WT3 H ATOM 41080 OH2 TIP3 4044 -0.696 -1.788 5.970 1.00 0.00 WT3 O ATOM 41081 H1 TIP3 4044 -1.793 -0.913 5.914 1.00 0.00 WT3 H ATOM 41082 H2 TIP3 4044 -7.930 6.443 14.404 1.00 0.00 WT3 H ATOM 41083 OH2 TIP3 4045 4.980 1.452 -1.040 1.00 0.00 WT3 O ATOM 41084 H1 TIP3 4045 4.933 -0.202 -12.751 1.00 0.00 WT3 H ATOM 41085 H2 TIP3 4045 2.489 12.625 24.016 1.00 0.00 WT3 H ATOM 41086 OH2 TIP3 4047 -9.464 7.415 -2.334 1.00 0.00 WT3 O ATOM 41087 H1 TIP3 4047 10.766 9.926 0.845 1.00 0.00 WT3 H ATOM 41088 H2 TIP3 4047 -9.000 5.400 -0.212 1.00 0.00 WT3 H ATOM 41089 OH2 TIP3 4050 3.328 0.797 -2.524 1.00 0.00 WT3 O ATOM 41090 H1 TIP3 4050 15.625 2.094 5.557 1.00 0.00 WT3 H ATOM 41091 H2 TIP3 4050 8.126 7.499 -14.789 1.00 0.00 WT3 H ATOM 41092 OH2 TIP3 4052 8.623 5.070 -2.232 1.00 0.00 WT3 O ATOM 41093 H1 TIP3 4052 1.338 -0.154 -3.790 1.00 0.00 WT3 H ATOM 41094 H2 TIP3 4052 -0.429 -24.668 -26.413 1.00 0.00 WT3 H ATOM 41095 OH2 TIP3 4053 -5.308 3.628 -0.947 1.00 0.00 WT3 O ATOM 41096 H1 TIP3 4053 -28.253 10.002 -6.116 1.00 0.00 WT3 H ATOM 41097 H2 TIP3 4053 -13.565 -26.235 -3.494 1.00 0.00 WT3 H ATOM 41098 OH2 TIP3 4054 -8.231 3.775 6.636 1.00 0.00 WT3 O ATOM 41099 H1 TIP3 4054 -10.107 -16.813 21.120 1.00 0.00 WT3 H ATOM 41100 H2 TIP3 4054 -7.679 -7.001 8.050 1.00 0.00 WT3 H ATOM 41101 OH2 TIP3 4055 -0.652 0.798 -1.253 1.00 0.00 WT3 O ATOM 41102 H1 TIP3 4055 -10.764 22.052 5.729 1.00 0.00 WT3 H ATOM 41103 H2 TIP3 4055 4.511 -10.684 -5.609 1.00 0.00 WT3 H ATOM 41104 OH2 TIP3 4056 3.758 -0.160 3.027 1.00 0.00 WT3 O ATOM 41105 H1 TIP3 4056 -6.656 -6.434 5.565 1.00 0.00 WT3 H ATOM 41106 H2 TIP3 4056 17.799 3.194 7.159 1.00 0.00 WT3 H ATOM 41107 OH2 TIP3 4057 0.439 0.149 0.746 1.00 0.00 WT3 O ATOM 41108 H1 TIP3 4057 16.572 24.251 -13.073 1.00 0.00 WT3 H ATOM 41109 H2 TIP3 4057 1.028 8.095 -0.308 1.00 0.00 WT3 H ATOM 41110 OH2 TIP3 4059 0.603 2.196 -5.985 1.00 0.00 WT3 O ATOM 41111 H1 TIP3 4059 -7.404 -5.021 4.811 1.00 0.00 WT3 H ATOM 41112 H2 TIP3 4059 -12.267 26.718 -3.854 1.00 0.00 WT3 H ATOM 41113 OH2 TIP3 4060 -2.562 2.566 -0.161 1.00 0.00 WT3 O ATOM 41114 H1 TIP3 4060 28.786 -3.006 26.644 1.00 0.00 WT3 H ATOM 41115 H2 TIP3 4060 -3.869 7.269 21.178 1.00 0.00 WT3 H ATOM 41116 OH2 TIP3 4061 4.166 -6.044 -3.997 1.00 0.00 WT3 O ATOM 41117 H1 TIP3 4061 20.565 -11.729 -1.981 1.00 0.00 WT3 H ATOM 41118 H2 TIP3 4061 -5.560 -9.062 1.297 1.00 0.00 WT3 H ATOM 41119 OH2 TIP3 4063 -5.686 -0.326 -1.977 1.00 0.00 WT3 O ATOM 41120 H1 TIP3 4063 -23.733 -8.008 -8.258 1.00 0.00 WT3 H ATOM 41121 H2 TIP3 4063 -5.358 10.081 -21.777 1.00 0.00 WT3 H ATOM 41122 OH2 TIP3 4064 -5.412 5.857 -8.071 1.00 0.00 WT3 O ATOM 41123 H1 TIP3 4064 -6.926 7.462 -8.976 1.00 0.00 WT3 H ATOM 41124 H2 TIP3 4064 -6.179 2.591 -7.286 1.00 0.00 WT3 H ATOM 41125 OH2 TIP3 4065 2.921 9.981 4.454 1.00 0.00 WT3 O ATOM 41126 H1 TIP3 4065 28.136 8.689 14.462 1.00 0.00 WT3 H ATOM 41127 H2 TIP3 4065 9.122 8.466 2.222 1.00 0.00 WT3 H ATOM 41128 OH2 TIP3 4066 0.673 -1.149 3.655 1.00 0.00 WT3 O ATOM 41129 H1 TIP3 4066 10.368 1.317 13.308 1.00 0.00 WT3 H ATOM 41130 H2 TIP3 4066 4.811 3.140 -3.456 1.00 0.00 WT3 H ATOM 41131 OH2 TIP3 4067 -2.120 -0.938 -2.955 1.00 0.00 WT3 O ATOM 41132 H1 TIP3 4067 0.858 -5.489 -4.856 1.00 0.00 WT3 H ATOM 41133 H2 TIP3 4067 6.354 6.184 1.002 1.00 0.00 WT3 H ATOM 41134 OH2 TIP3 4068 -1.392 -0.804 -2.296 1.00 0.00 WT3 O ATOM 41135 H1 TIP3 4068 -6.153 -1.612 -24.299 1.00 0.00 WT3 H ATOM 41136 H2 TIP3 4068 22.807 -2.175 18.566 1.00 0.00 WT3 H ATOM 41137 OH2 TIP3 4069 -1.751 5.603 1.648 1.00 0.00 WT3 O ATOM 41138 H1 TIP3 4069 -5.838 3.928 9.611 1.00 0.00 WT3 H ATOM 41139 H2 TIP3 4069 9.032 11.593 0.544 1.00 0.00 WT3 H ATOM 41140 OH2 TIP3 4072 4.209 -1.454 4.953 1.00 0.00 WT3 O ATOM 41141 H1 TIP3 4072 6.245 0.934 4.524 1.00 0.00 WT3 H ATOM 41142 H2 TIP3 4072 3.631 -3.419 3.257 1.00 0.00 WT3 H ATOM 41143 OH2 TIP3 4073 -0.219 -1.263 -2.767 1.00 0.00 WT3 O ATOM 41144 H1 TIP3 4073 -4.339 -0.048 -0.149 1.00 0.00 WT3 H ATOM 41145 H2 TIP3 4073 -11.576 4.023 -1.709 1.00 0.00 WT3 H ATOM 41146 OH2 TIP3 4074 -5.314 1.076 0.092 1.00 0.00 WT3 O ATOM 41147 H1 TIP3 4074 -6.588 15.001 -15.833 1.00 0.00 WT3 H ATOM 41148 H2 TIP3 4074 -42.739 10.851 -8.991 1.00 0.00 WT3 H ATOM 41149 OH2 TIP3 4075 -2.779 -1.549 -3.255 1.00 0.00 WT3 O ATOM 41150 H1 TIP3 4075 4.727 -19.842 1.347 1.00 0.00 WT3 H ATOM 41151 H2 TIP3 4075 -2.375 -2.756 -2.876 1.00 0.00 WT3 H ATOM 41152 OH2 TIP3 4076 -1.564 0.985 -2.569 1.00 0.00 WT3 O ATOM 41153 H1 TIP3 4076 -19.851 -17.651 10.101 1.00 0.00 WT3 H ATOM 41154 H2 TIP3 4076 -14.525 -20.630 26.696 1.00 0.00 WT3 H ATOM 41155 OH2 TIP3 4077 -7.675 -0.815 -8.654 1.00 0.00 WT3 O ATOM 41156 H1 TIP3 4077 -1.228 10.441 -17.632 1.00 0.00 WT3 H ATOM 41157 H2 TIP3 4077 0.012 -6.489 4.017 1.00 0.00 WT3 H ATOM 41158 OH2 TIP3 4078 -7.178 4.412 -1.478 1.00 0.00 WT3 O ATOM 41159 H1 TIP3 4078 -8.783 0.478 3.765 1.00 0.00 WT3 H ATOM 41160 H2 TIP3 4078 -0.543 11.730 -17.808 1.00 0.00 WT3 H ATOM 41161 OH2 TIP3 4079 -4.418 5.406 0.945 1.00 0.00 WT3 O ATOM 41162 H1 TIP3 4079 7.531 -1.290 39.617 1.00 0.00 WT3 H ATOM 41163 H2 TIP3 4079 22.819 -19.609 -15.907 1.00 0.00 WT3 H ATOM 41164 OH2 TIP3 4080 -3.949 7.727 -4.209 1.00 0.00 WT3 O ATOM 41165 H1 TIP3 4080 -1.339 -21.869 -13.166 1.00 0.00 WT3 H ATOM 41166 H2 TIP3 4080 -3.863 1.530 -6.315 1.00 0.00 WT3 H ATOM 41167 OH2 TIP3 4081 3.507 0.453 -1.505 1.00 0.00 WT3 O ATOM 41168 H1 TIP3 4081 -13.803 -15.254 1.873 1.00 0.00 WT3 H ATOM 41169 H2 TIP3 4081 5.717 3.169 -4.604 1.00 0.00 WT3 H ATOM 41170 OH2 TIP3 4083 1.619 -2.659 0.264 1.00 0.00 WT3 O ATOM 41171 H1 TIP3 4083 -2.639 8.318 7.342 1.00 0.00 WT3 H ATOM 41172 H2 TIP3 4083 27.693 -1.733 11.926 1.00 0.00 WT3 H ATOM 41173 OH2 TIP3 4085 -3.588 4.139 -2.976 1.00 0.00 WT3 O ATOM 41174 H1 TIP3 4085 8.751 9.411 0.767 1.00 0.00 WT3 H ATOM 41175 H2 TIP3 4085 -3.254 15.013 -0.463 1.00 0.00 WT3 H ATOM 41176 OH2 TIP3 4086 2.686 -2.142 -2.440 1.00 0.00 WT3 O ATOM 41177 H1 TIP3 4086 -5.285 7.964 7.127 1.00 0.00 WT3 H ATOM 41178 H2 TIP3 4086 11.110 -8.471 -10.880 1.00 0.00 WT3 H ATOM 41179 OH2 TIP3 4087 4.845 -1.878 2.027 1.00 0.00 WT3 O ATOM 41180 H1 TIP3 4087 -2.888 -10.797 -18.557 1.00 0.00 WT3 H ATOM 41181 H2 TIP3 4087 -5.599 1.010 2.472 1.00 0.00 WT3 H ATOM 41182 OH2 TIP3 4089 -3.359 -3.350 1.683 1.00 0.00 WT3 O ATOM 41183 H1 TIP3 4089 -3.080 -2.896 -0.025 1.00 0.00 WT3 H ATOM 41184 H2 TIP3 4089 24.991 -2.359 2.248 1.00 0.00 WT3 H ATOM 41185 OH2 TIP3 4091 -3.855 -2.434 8.908 1.00 0.00 WT3 O ATOM 41186 H1 TIP3 4091 -13.866 -12.837 -1.817 1.00 0.00 WT3 H ATOM 41187 H2 TIP3 4091 -5.275 -8.691 25.273 1.00 0.00 WT3 H ATOM 41188 OH2 TIP3 4092 -1.248 5.669 0.512 1.00 0.00 WT3 O ATOM 41189 H1 TIP3 4092 -4.322 4.066 -5.701 1.00 0.00 WT3 H ATOM 41190 H2 TIP3 4092 -1.857 7.120 0.815 1.00 0.00 WT3 H ATOM 41191 OH2 TIP3 4093 5.133 -0.703 -0.634 1.00 0.00 WT3 O ATOM 41192 H1 TIP3 4093 4.264 -0.746 -1.888 1.00 0.00 WT3 H ATOM 41193 H2 TIP3 4093 4.770 -0.481 -0.192 1.00 0.00 WT3 H ATOM 41194 OH2 TIP3 4096 -3.289 -0.772 2.389 1.00 0.00 WT3 O ATOM 41195 H1 TIP3 4096 -5.134 -0.974 -1.880 1.00 0.00 WT3 H ATOM 41196 H2 TIP3 4096 -30.064 3.882 -7.457 1.00 0.00 WT3 H ATOM 41197 OH2 TIP3 4097 2.717 -3.661 -3.687 1.00 0.00 WT3 O ATOM 41198 H1 TIP3 4097 -18.367 6.513 -6.056 1.00 0.00 WT3 H ATOM 41199 H2 TIP3 4097 -16.695 27.161 -11.966 1.00 0.00 WT3 H ATOM 41200 OH2 TIP3 4098 2.186 2.547 1.465 1.00 0.00 WT3 O ATOM 41201 H1 TIP3 4098 -21.967 -16.090 -16.177 1.00 0.00 WT3 H ATOM 41202 H2 TIP3 4098 -13.008 -12.054 -15.254 1.00 0.00 WT3 H ATOM 41203 OH2 TIP3 4099 1.811 -5.371 3.084 1.00 0.00 WT3 O ATOM 41204 H1 TIP3 4099 4.608 14.534 3.188 1.00 0.00 WT3 H ATOM 41205 H2 TIP3 4099 -17.220 -4.250 -19.094 1.00 0.00 WT3 H ATOM 41206 OH2 TIP3 4101 3.376 7.531 -2.402 1.00 0.00 WT3 O ATOM 41207 H1 TIP3 4101 -0.979 6.892 6.942 1.00 0.00 WT3 H ATOM 41208 H2 TIP3 4101 15.535 5.239 -2.523 1.00 0.00 WT3 H ATOM 41209 OH2 TIP3 4102 3.202 4.658 -6.789 1.00 0.00 WT3 O ATOM 41210 H1 TIP3 4102 8.420 -14.858 1.762 1.00 0.00 WT3 H ATOM 41211 H2 TIP3 4102 -6.273 -10.460 -21.935 1.00 0.00 WT3 H ATOM 41212 OH2 TIP3 4103 2.321 9.055 -4.980 1.00 0.00 WT3 O ATOM 41213 H1 TIP3 4103 -24.375 16.100 13.107 1.00 0.00 WT3 H ATOM 41214 H2 TIP3 4103 -15.531 -10.230 -20.798 1.00 0.00 WT3 H ATOM 41215 OH2 TIP3 4104 5.377 1.350 -2.019 1.00 0.00 WT3 O ATOM 41216 H1 TIP3 4104 -2.580 -6.431 -12.258 1.00 0.00 WT3 H ATOM 41217 H2 TIP3 4104 13.483 1.274 -0.870 1.00 0.00 WT3 H ATOM 41218 OH2 TIP3 4105 -3.078 -3.073 -2.936 1.00 0.00 WT3 O ATOM 41219 H1 TIP3 4105 15.184 -10.356 8.576 1.00 0.00 WT3 H ATOM 41220 H2 TIP3 4105 -9.284 -3.364 4.359 1.00 0.00 WT3 H ATOM 41221 OH2 TIP3 4108 -0.355 -3.903 -4.433 1.00 0.00 WT3 O ATOM 41222 H1 TIP3 4108 -12.714 -12.752 -11.717 1.00 0.00 WT3 H ATOM 41223 H2 TIP3 4108 -13.783 6.388 4.410 1.00 0.00 WT3 H ATOM 41224 OH2 TIP3 4109 0.813 -0.393 -10.025 1.00 0.00 WT3 O ATOM 41225 H1 TIP3 4109 -22.461 -14.129 6.081 1.00 0.00 WT3 H ATOM 41226 H2 TIP3 4109 -6.355 5.908 -17.787 1.00 0.00 WT3 H ATOM 41227 OH2 TIP3 4110 4.267 -6.259 -0.215 1.00 0.00 WT3 O ATOM 41228 H1 TIP3 4110 22.056 -6.079 -3.171 1.00 0.00 WT3 H ATOM 41229 H2 TIP3 4110 11.762 -4.706 -1.215 1.00 0.00 WT3 H ATOM 41230 OH2 TIP3 4111 6.772 -6.134 1.284 1.00 0.00 WT3 O ATOM 41231 H1 TIP3 4111 23.109 -7.835 -1.793 1.00 0.00 WT3 H ATOM 41232 H2 TIP3 4111 3.746 -7.115 16.341 1.00 0.00 WT3 H ATOM 41233 OH2 TIP3 4112 1.385 -3.819 -0.096 1.00 0.00 WT3 O ATOM 41234 H1 TIP3 4112 6.056 -1.293 -7.204 1.00 0.00 WT3 H ATOM 41235 H2 TIP3 4112 5.854 -10.030 7.402 1.00 0.00 WT3 H ATOM 41236 OH2 TIP3 4113 1.810 2.554 -1.005 1.00 0.00 WT3 O ATOM 41237 H1 TIP3 4113 6.258 5.670 0.446 1.00 0.00 WT3 H ATOM 41238 H2 TIP3 4113 -3.513 17.304 -1.958 1.00 0.00 WT3 H ATOM 41239 OH2 TIP3 4114 2.970 -1.166 0.724 1.00 0.00 WT3 O ATOM 41240 H1 TIP3 4114 -0.680 0.320 7.898 1.00 0.00 WT3 H ATOM 41241 H2 TIP3 4114 6.685 -8.634 -0.836 1.00 0.00 WT3 H ATOM 41242 OH2 TIP3 4115 11.048 0.452 -8.107 1.00 0.00 WT3 O ATOM 41243 H1 TIP3 4115 -13.541 -13.131 -9.728 1.00 0.00 WT3 H ATOM 41244 H2 TIP3 4115 1.769 6.401 16.827 1.00 0.00 WT3 H ATOM 41245 OH2 TIP3 4116 -9.239 -0.170 -3.203 1.00 0.00 WT3 O ATOM 41246 H1 TIP3 4116 -5.690 -13.773 5.691 1.00 0.00 WT3 H ATOM 41247 H2 TIP3 4116 5.215 0.125 -5.673 1.00 0.00 WT3 H ATOM 41248 OH2 TIP3 4117 5.685 2.007 -1.017 1.00 0.00 WT3 O ATOM 41249 H1 TIP3 4117 -10.711 18.718 -3.811 1.00 0.00 WT3 H ATOM 41250 H2 TIP3 4117 -4.871 -9.937 13.259 1.00 0.00 WT3 H ATOM 41251 OH2 TIP3 4118 -4.767 3.625 1.781 1.00 0.00 WT3 O ATOM 41252 H1 TIP3 4118 5.585 8.592 -28.662 1.00 0.00 WT3 H ATOM 41253 H2 TIP3 4118 -34.599 -6.017 -4.242 1.00 0.00 WT3 H ATOM 41254 OH2 TIP3 4120 3.266 11.278 0.163 1.00 0.00 WT3 O ATOM 41255 H1 TIP3 4120 17.734 2.114 1.466 1.00 0.00 WT3 H ATOM 41256 H2 TIP3 4120 -8.337 -2.832 -8.736 1.00 0.00 WT3 H ATOM 41257 OH2 TIP3 4121 -6.739 0.831 7.145 1.00 0.00 WT3 O ATOM 41258 H1 TIP3 4121 -11.302 -7.792 7.869 1.00 0.00 WT3 H ATOM 41259 H2 TIP3 4121 -6.772 -2.349 -0.253 1.00 0.00 WT3 H ATOM 41260 OH2 TIP3 4122 2.729 0.759 6.733 1.00 0.00 WT3 O ATOM 41261 H1 TIP3 4122 20.432 -10.008 2.863 1.00 0.00 WT3 H ATOM 41262 H2 TIP3 4122 13.451 -11.242 -5.987 1.00 0.00 WT3 H ATOM 41263 OH2 TIP3 4123 1.977 -1.220 8.662 1.00 0.00 WT3 O ATOM 41264 H1 TIP3 4123 17.336 -4.337 -10.209 1.00 0.00 WT3 H ATOM 41265 H2 TIP3 4123 -22.781 -0.753 -1.592 1.00 0.00 WT3 H ATOM 41266 OH2 TIP3 4124 4.178 -4.284 -1.205 1.00 0.00 WT3 O ATOM 41267 H1 TIP3 4124 -5.558 6.050 -13.507 1.00 0.00 WT3 H ATOM 41268 H2 TIP3 4124 8.950 4.400 12.760 1.00 0.00 WT3 H ATOM 41269 OH2 TIP3 4127 7.357 2.317 -1.185 1.00 0.00 WT3 O ATOM 41270 H1 TIP3 4127 4.338 -4.582 -2.559 1.00 0.00 WT3 H ATOM 41271 H2 TIP3 4127 -5.258 -3.577 -2.672 1.00 0.00 WT3 H ATOM 41272 OH2 TIP3 4128 0.080 3.052 -3.800 1.00 0.00 WT3 O ATOM 41273 H1 TIP3 4128 18.613 -6.727 -19.685 1.00 0.00 WT3 H ATOM 41274 H2 TIP3 4128 2.178 -8.732 -12.903 1.00 0.00 WT3 H ATOM 41275 OH2 TIP3 4129 -2.579 7.150 -0.476 1.00 0.00 WT3 O ATOM 41276 H1 TIP3 4129 -11.467 13.235 26.622 1.00 0.00 WT3 H ATOM 41277 H2 TIP3 4129 16.971 12.740 3.562 1.00 0.00 WT3 H ATOM 41278 OH2 TIP3 4130 5.447 -3.126 -4.844 1.00 0.00 WT3 O ATOM 41279 H1 TIP3 4130 -10.209 -23.101 6.985 1.00 0.00 WT3 H ATOM 41280 H2 TIP3 4130 8.980 11.956 -25.621 1.00 0.00 WT3 H ATOM 41281 OH2 TIP3 4131 6.733 2.613 3.794 1.00 0.00 WT3 O ATOM 41282 H1 TIP3 4131 10.695 -6.238 -2.890 1.00 0.00 WT3 H ATOM 41283 H2 TIP3 4131 20.956 -11.432 -3.412 1.00 0.00 WT3 H ATOM 41284 OH2 TIP3 4132 0.305 8.088 1.319 1.00 0.00 WT3 O ATOM 41285 H1 TIP3 4132 7.864 7.720 -4.108 1.00 0.00 WT3 H ATOM 41286 H2 TIP3 4132 3.006 8.662 9.065 1.00 0.00 WT3 H ATOM 41287 OH2 TIP3 4134 -6.927 -7.541 2.486 1.00 0.00 WT3 O ATOM 41288 H1 TIP3 4134 -32.841 -22.664 12.622 1.00 0.00 WT3 H ATOM 41289 H2 TIP3 4134 -21.055 26.452 14.806 1.00 0.00 WT3 H ATOM 41290 OH2 TIP3 4136 -1.118 7.042 -1.834 1.00 0.00 WT3 O ATOM 41291 H1 TIP3 4136 -7.188 6.687 15.064 1.00 0.00 WT3 H ATOM 41292 H2 TIP3 4136 -6.272 -16.016 4.987 1.00 0.00 WT3 H ATOM 41293 OH2 TIP3 4137 -3.224 -2.701 -4.229 1.00 0.00 WT3 O ATOM 41294 H1 TIP3 4137 -0.380 3.739 -24.460 1.00 0.00 WT3 H ATOM 41295 H2 TIP3 4137 -3.353 -2.939 -3.483 1.00 0.00 WT3 H ATOM 41296 OH2 TIP3 4138 -0.603 8.717 -2.494 1.00 0.00 WT3 O ATOM 41297 H1 TIP3 4138 3.887 0.468 -10.177 1.00 0.00 WT3 H ATOM 41298 H2 TIP3 4138 10.767 2.735 -12.140 1.00 0.00 WT3 H ATOM 41299 OH2 TIP3 4139 6.828 3.885 4.459 1.00 0.00 WT3 O ATOM 41300 H1 TIP3 4139 3.787 9.901 9.128 1.00 0.00 WT3 H ATOM 41301 H2 TIP3 4139 0.097 15.117 5.333 1.00 0.00 WT3 H ATOM 41302 OH2 TIP3 4141 6.939 5.415 9.649 1.00 0.00 WT3 O ATOM 41303 H1 TIP3 4141 7.051 14.008 9.456 1.00 0.00 WT3 H ATOM 41304 H2 TIP3 4141 1.219 -7.606 1.566 1.00 0.00 WT3 H ATOM 41305 OH2 TIP3 4142 -7.957 -2.687 -4.871 1.00 0.00 WT3 O ATOM 41306 H1 TIP3 4142 -3.168 1.943 19.214 1.00 0.00 WT3 H ATOM 41307 H2 TIP3 4142 -17.317 10.199 3.084 1.00 0.00 WT3 H ATOM 41308 OH2 TIP3 4143 6.080 6.330 -2.141 1.00 0.00 WT3 O ATOM 41309 H1 TIP3 4143 7.446 5.055 8.658 1.00 0.00 WT3 H ATOM 41310 H2 TIP3 4143 3.374 24.019 2.607 1.00 0.00 WT3 H ATOM 41311 OH2 TIP3 4144 -1.269 -1.798 7.820 1.00 0.00 WT3 O ATOM 41312 H1 TIP3 4144 -9.881 18.026 -10.605 1.00 0.00 WT3 H ATOM 41313 H2 TIP3 4144 -6.707 3.889 -0.654 1.00 0.00 WT3 H ATOM 41314 OH2 TIP3 4145 2.366 -2.662 2.199 1.00 0.00 WT3 O ATOM 41315 H1 TIP3 4145 19.702 -13.664 -3.149 1.00 0.00 WT3 H ATOM 41316 H2 TIP3 4145 -4.751 -25.738 3.635 1.00 0.00 WT3 H ATOM 41317 OH2 TIP3 4146 6.160 -3.623 2.043 1.00 0.00 WT3 O ATOM 41318 H1 TIP3 4146 6.001 9.521 17.251 1.00 0.00 WT3 H ATOM 41319 H2 TIP3 4146 12.807 -7.976 -9.661 1.00 0.00 WT3 H ATOM 41320 OH2 TIP3 4151 6.566 0.496 -4.025 1.00 0.00 WT3 O ATOM 41321 H1 TIP3 4151 5.683 -1.713 -8.352 1.00 0.00 WT3 H ATOM 41322 H2 TIP3 4151 7.301 1.147 5.346 1.00 0.00 WT3 H ATOM 41323 OH2 TIP3 4152 2.620 0.942 3.828 1.00 0.00 WT3 O ATOM 41324 H1 TIP3 4152 8.148 -13.465 -14.282 1.00 0.00 WT3 H ATOM 41325 H2 TIP3 4152 14.193 -3.758 11.187 1.00 0.00 WT3 H ATOM 41326 OH2 TIP3 4154 3.173 2.657 -7.748 1.00 0.00 WT3 O ATOM 41327 H1 TIP3 4154 -13.763 12.878 2.672 1.00 0.00 WT3 H ATOM 41328 H2 TIP3 4154 -5.295 -18.158 -15.066 1.00 0.00 WT3 H ATOM 41329 OH2 TIP3 4155 -4.557 5.071 -0.304 1.00 0.00 WT3 O ATOM 41330 H1 TIP3 4155 -2.899 10.663 -6.401 1.00 0.00 WT3 H ATOM 41331 H2 TIP3 4155 -8.702 30.226 12.624 1.00 0.00 WT3 H ATOM 41332 OH2 TIP3 4156 -5.112 -1.461 1.070 1.00 0.00 WT3 O ATOM 41333 H1 TIP3 4156 -21.887 -14.099 13.547 1.00 0.00 WT3 H ATOM 41334 H2 TIP3 4156 15.715 -17.184 24.121 1.00 0.00 WT3 H ATOM 41335 OH2 TIP3 4157 -7.209 0.927 0.893 1.00 0.00 WT3 O ATOM 41336 H1 TIP3 4157 1.737 -7.909 23.375 1.00 0.00 WT3 H ATOM 41337 H2 TIP3 4157 -7.628 12.697 -11.355 1.00 0.00 WT3 H ATOM 41338 OH2 TIP3 4160 -2.928 1.077 -1.587 1.00 0.00 WT3 O ATOM 41339 H1 TIP3 4160 -26.625 -8.115 8.247 1.00 0.00 WT3 H ATOM 41340 H2 TIP3 4160 -2.740 8.135 -20.364 1.00 0.00 WT3 H ATOM 41341 OH2 TIP3 4161 -4.498 -2.159 -1.752 1.00 0.00 WT3 O ATOM 41342 H1 TIP3 4161 -25.868 -8.220 -19.785 1.00 0.00 WT3 H ATOM 41343 H2 TIP3 4161 -4.486 0.196 7.450 1.00 0.00 WT3 H ATOM 41344 OH2 TIP3 4162 4.886 -4.402 -1.288 1.00 0.00 WT3 O ATOM 41345 H1 TIP3 4162 -3.190 21.128 -22.579 1.00 0.00 WT3 H ATOM 41346 H2 TIP3 4162 -3.716 7.125 0.278 1.00 0.00 WT3 H ATOM 41347 OH2 TIP3 4163 -2.129 -2.840 -4.539 1.00 0.00 WT3 O ATOM 41348 H1 TIP3 4163 -25.062 27.583 10.498 1.00 0.00 WT3 H ATOM 41349 H2 TIP3 4163 18.305 -4.225 11.138 1.00 0.00 WT3 H ATOM 41350 OH2 TIP3 4164 1.361 -5.036 6.062 1.00 0.00 WT3 O ATOM 41351 H1 TIP3 4164 25.326 27.391 -4.652 1.00 0.00 WT3 H ATOM 41352 H2 TIP3 4164 4.506 -12.103 14.156 1.00 0.00 WT3 H ATOM 41353 OH2 TIP3 4165 -7.128 -1.123 1.732 1.00 0.00 WT3 O ATOM 41354 H1 TIP3 4165 7.520 -40.573 4.523 1.00 0.00 WT3 H ATOM 41355 H2 TIP3 4165 21.317 15.679 4.597 1.00 0.00 WT3 H ATOM 41356 OH2 TIP3 4166 -0.273 2.658 4.025 1.00 0.00 WT3 O ATOM 41357 H1 TIP3 4166 4.788 -16.823 24.648 1.00 0.00 WT3 H ATOM 41358 H2 TIP3 4166 -7.442 -5.711 3.593 1.00 0.00 WT3 H ATOM 41359 OH2 TIP3 4173 1.014 -1.440 1.928 1.00 0.00 WT3 O ATOM 41360 H1 TIP3 4173 26.187 -7.692 9.777 1.00 0.00 WT3 H ATOM 41361 H2 TIP3 4173 -11.904 -10.790 15.159 1.00 0.00 WT3 H ATOM 41362 OH2 TIP3 4174 4.155 2.097 0.066 1.00 0.00 WT3 O ATOM 41363 H1 TIP3 4174 -14.241 -4.957 -5.851 1.00 0.00 WT3 H ATOM 41364 H2 TIP3 4174 2.849 0.153 2.619 1.00 0.00 WT3 H ATOM 41365 OH2 TIP3 4175 -0.741 -2.732 0.466 1.00 0.00 WT3 O ATOM 41366 H1 TIP3 4175 -2.512 3.484 -7.551 1.00 0.00 WT3 H ATOM 41367 H2 TIP3 4175 1.474 8.284 2.945 1.00 0.00 WT3 H ATOM 41368 OH2 TIP3 4176 -0.368 1.217 2.861 1.00 0.00 WT3 O ATOM 41369 H1 TIP3 4176 25.868 2.952 4.597 1.00 0.00 WT3 H ATOM 41370 H2 TIP3 4176 -12.430 -17.472 -1.145 1.00 0.00 WT3 H ATOM 41371 OH2 TIP3 4177 -5.015 2.548 -10.091 1.00 0.00 WT3 O ATOM 41372 H1 TIP3 4177 -11.564 -9.044 4.405 1.00 0.00 WT3 H ATOM 41373 H2 TIP3 4177 -3.582 -1.411 -11.218 1.00 0.00 WT3 H ATOM 41374 OH2 TIP3 4179 1.157 1.897 1.426 1.00 0.00 WT3 O ATOM 41375 H1 TIP3 4179 -15.582 -10.408 -14.660 1.00 0.00 WT3 H ATOM 41376 H2 TIP3 4179 10.139 22.077 -10.432 1.00 0.00 WT3 H ATOM 41377 OH2 TIP3 4184 -3.038 1.840 -1.238 1.00 0.00 WT3 O ATOM 41378 H1 TIP3 4184 -8.049 -9.401 -11.369 1.00 0.00 WT3 H ATOM 41379 H2 TIP3 4184 5.547 14.605 -9.124 1.00 0.00 WT3 H ATOM 41380 OH2 TIP3 4185 -7.644 0.313 3.461 1.00 0.00 WT3 O ATOM 41381 H1 TIP3 4185 -30.676 2.416 6.913 1.00 0.00 WT3 H ATOM 41382 H2 TIP3 4185 -0.601 1.888 13.487 1.00 0.00 WT3 H ATOM 41383 OH2 TIP3 4186 3.560 -0.306 5.421 1.00 0.00 WT3 O ATOM 41384 H1 TIP3 4186 2.352 7.550 17.655 1.00 0.00 WT3 H ATOM 41385 H2 TIP3 4186 -0.215 -18.836 4.623 1.00 0.00 WT3 H ATOM 41386 OH2 TIP3 4191 1.904 -4.833 2.312 1.00 0.00 WT3 O ATOM 41387 H1 TIP3 4191 1.345 -8.101 8.370 1.00 0.00 WT3 H ATOM 41388 H2 TIP3 4191 -0.661 -18.340 2.033 1.00 0.00 WT3 H ATOM 41389 OH2 TIP3 4196 1.891 6.520 1.809 1.00 0.00 WT3 O ATOM 41390 H1 TIP3 4196 5.255 10.562 -8.852 1.00 0.00 WT3 H ATOM 41391 H2 TIP3 4196 -1.683 1.760 15.373 1.00 0.00 WT3 H ATOM 41392 OH2 TIP3 4197 -0.673 1.759 -5.990 1.00 0.00 WT3 O ATOM 41393 H1 TIP3 4197 -8.412 17.166 2.528 1.00 0.00 WT3 H ATOM 41394 H2 TIP3 4197 2.524 26.820 -27.351 1.00 0.00 WT3 H ATOM 41395 OH2 TIP3 4201 -3.030 -3.159 -6.996 1.00 0.00 WT3 O ATOM 41396 H1 TIP3 4201 2.450 7.376 -8.386 1.00 0.00 WT3 H ATOM 41397 H2 TIP3 4201 1.790 -4.567 7.775 1.00 0.00 WT3 H ATOM 41398 OH2 TIP3 4202 -2.100 2.438 3.829 1.00 0.00 WT3 O ATOM 41399 H1 TIP3 4202 -4.234 3.439 -3.566 1.00 0.00 WT3 H ATOM 41400 H2 TIP3 4202 -2.473 -26.075 -2.453 1.00 0.00 WT3 H ATOM 41401 OH2 TIP3 4203 4.788 -2.981 1.445 1.00 0.00 WT3 O ATOM 41402 H1 TIP3 4203 -8.594 -39.418 -5.724 1.00 0.00 WT3 H ATOM 41403 H2 TIP3 4203 4.435 1.557 2.479 1.00 0.00 WT3 H ATOM 41404 OH2 TIP3 4204 1.418 1.007 2.254 1.00 0.00 WT3 O ATOM 41405 H1 TIP3 4204 -5.331 -4.703 11.956 1.00 0.00 WT3 H ATOM 41406 H2 TIP3 4204 -18.832 12.358 -1.295 1.00 0.00 WT3 H ATOM 41407 OH2 TIP3 4216 -1.287 -0.236 -0.400 1.00 0.00 WT3 O ATOM 41408 H1 TIP3 4216 -1.012 -2.233 -0.283 1.00 0.00 WT3 H ATOM 41409 H2 TIP3 4216 -1.608 -7.589 2.632 1.00 0.00 WT3 H ATOM 41410 OH2 TIP3 4221 4.355 0.799 -2.794 1.00 0.00 WT3 O ATOM 41411 H1 TIP3 4221 -18.073 -1.374 9.273 1.00 0.00 WT3 H ATOM 41412 H2 TIP3 4221 33.336 7.398 -16.791 1.00 0.00 WT3 H ATOM 41413 OH2 TIP3 4223 0.264 2.690 2.377 1.00 0.00 WT3 O ATOM 41414 H1 TIP3 4223 -8.215 10.865 6.979 1.00 0.00 WT3 H ATOM 41415 H2 TIP3 4223 0.442 -2.672 10.014 1.00 0.00 WT3 H ATOM 41416 OH2 TIP3 4230 -0.195 1.104 2.277 1.00 0.00 WT3 O ATOM 41417 H1 TIP3 4230 -17.470 12.179 -5.453 1.00 0.00 WT3 H ATOM 41418 H2 TIP3 4230 -12.240 17.710 13.195 1.00 0.00 WT3 H ATOM 41419 OH2 TIP3 4237 -4.882 2.503 0.584 1.00 0.00 WT3 O ATOM 41420 H1 TIP3 4237 8.990 -16.041 -6.122 1.00 0.00 WT3 H ATOM 41421 H2 TIP3 4237 15.961 -6.525 -0.369 1.00 0.00 WT3 H ATOM 41422 OH2 TIP3 4239 0.457 1.354 3.341 1.00 0.00 WT3 O ATOM 41423 H1 TIP3 4239 2.394 1.010 -9.462 1.00 0.00 WT3 H ATOM 41424 H2 TIP3 4239 -9.237 -4.506 11.189 1.00 0.00 WT3 H ATOM 41425 OH2 TIP3 4240 -4.531 8.098 -3.562 1.00 0.00 WT3 O ATOM 41426 H1 TIP3 4240 1.340 9.135 -15.060 1.00 0.00 WT3 H ATOM 41427 H2 TIP3 4240 -13.932 2.543 14.956 1.00 0.00 WT3 H ATOM 41428 OH2 TIP3 4243 -2.338 0.075 -2.746 1.00 0.00 WT3 O ATOM 41429 H1 TIP3 4243 -9.915 -9.028 -9.956 1.00 0.00 WT3 H ATOM 41430 H2 TIP3 4243 1.518 8.799 6.153 1.00 0.00 WT3 H ATOM 41431 OH2 TIP3 4278 3.743 -4.904 -3.015 1.00 0.00 WT3 O ATOM 41432 H1 TIP3 4278 1.790 -6.011 17.122 1.00 0.00 WT3 H ATOM 41433 H2 TIP3 4278 -10.834 -3.524 -6.717 1.00 0.00 WT3 H ATOM 41434 OH2 TIP3 4319 0.546 4.039 -2.413 1.00 0.00 WT3 O ATOM 41435 H1 TIP3 4319 15.037 3.797 -1.368 1.00 0.00 WT3 H ATOM 41436 H2 TIP3 4319 18.069 -2.534 -2.340 1.00 0.00 WT3 H ATOM 41437 OH2 TIP3 4323 5.218 -5.300 1.042 1.00 0.00 WT3 O ATOM 41438 H1 TIP3 4323 3.754 1.382 18.158 1.00 0.00 WT3 H ATOM 41439 H2 TIP3 4323 4.052 -3.783 -19.228 1.00 0.00 WT3 H ATOM 41440 OH2 TIP3 4356 0.144 -3.773 -4.059 1.00 0.00 WT3 O ATOM 41441 H1 TIP3 4356 2.929 -8.266 -13.503 1.00 0.00 WT3 H ATOM 41442 H2 TIP3 4356 18.570 2.785 -10.855 1.00 0.00 WT3 H ATOM 41443 OH2 TIP3 4374 -1.163 -0.106 -4.823 1.00 0.00 WT3 O ATOM 41444 H1 TIP3 4374 -1.793 -4.296 -10.942 1.00 0.00 WT3 H ATOM 41445 H2 TIP3 4374 -8.246 -7.654 1.730 1.00 0.00 WT3 H ATOM 41446 OH2 TIP3 4382 1.519 -0.893 -8.838 1.00 0.00 WT3 O ATOM 41447 H1 TIP3 4382 -12.060 -4.315 11.226 1.00 0.00 WT3 H ATOM 41448 H2 TIP3 4382 -8.346 -13.976 -13.454 1.00 0.00 WT3 H ATOM 41449 OH2 TIP3 4394 -4.895 -4.805 -3.698 1.00 0.00 WT3 O ATOM 41450 H1 TIP3 4394 13.927 -21.481 5.754 1.00 0.00 WT3 H ATOM 41451 H2 TIP3 4394 -12.969 -3.612 -24.469 1.00 0.00 WT3 H ATOM 41452 OH2 TIP3 4401 -2.563 -2.466 5.276 1.00 0.00 WT3 O ATOM 41453 H1 TIP3 4401 3.216 4.576 1.441 1.00 0.00 WT3 H ATOM 41454 H2 TIP3 4401 10.051 11.797 -2.036 1.00 0.00 WT3 H ATOM 41455 OH2 TIP3 4404 0.619 -11.070 -3.168 1.00 0.00 WT3 O ATOM 41456 H1 TIP3 4404 -2.141 -2.137 12.238 1.00 0.00 WT3 H ATOM 41457 H2 TIP3 4404 6.938 18.602 -27.485 1.00 0.00 WT3 H ATOM 41458 OH2 TIP3 4407 0.033 -3.858 -1.274 1.00 0.00 WT3 O ATOM 41459 H1 TIP3 4407 11.982 12.677 -18.473 1.00 0.00 WT3 H ATOM 41460 H2 TIP3 4407 -9.681 -22.212 9.736 1.00 0.00 WT3 H ATOM 41461 OH2 TIP3 4409 0.997 -1.874 -0.291 1.00 0.00 WT3 O ATOM 41462 H1 TIP3 4409 -5.375 -0.512 14.558 1.00 0.00 WT3 H ATOM 41463 H2 TIP3 4409 -14.272 4.703 27.597 1.00 0.00 WT3 H ATOM 41464 OH2 TIP3 4412 5.640 1.445 -2.218 1.00 0.00 WT3 O ATOM 41465 H1 TIP3 4412 -8.586 -0.009 4.509 1.00 0.00 WT3 H ATOM 41466 H2 TIP3 4412 1.006 -10.008 4.473 1.00 0.00 WT3 H ATOM 41467 OH2 TIP3 4414 1.233 -4.846 6.224 1.00 0.00 WT3 O ATOM 41468 H1 TIP3 4414 29.748 -14.513 0.635 1.00 0.00 WT3 H ATOM 41469 H2 TIP3 4414 8.816 -6.002 1.217 1.00 0.00 WT3 H ATOM 41470 OH2 TIP3 4415 5.734 -0.171 -6.616 1.00 0.00 WT3 O ATOM 41471 H1 TIP3 4415 -1.584 18.708 -12.802 1.00 0.00 WT3 H ATOM 41472 H2 TIP3 4415 -6.626 8.271 3.679 1.00 0.00 WT3 H ATOM 41473 OH2 TIP3 4417 -4.396 -2.366 -5.541 1.00 0.00 WT3 O ATOM 41474 H1 TIP3 4417 -9.779 -3.182 15.018 1.00 0.00 WT3 H ATOM 41475 H2 TIP3 4417 -11.722 -18.097 -13.474 1.00 0.00 WT3 H ATOM 41476 OH2 TIP3 4419 -0.700 2.029 4.998 1.00 0.00 WT3 O ATOM 41477 H1 TIP3 4419 -12.811 10.071 8.427 1.00 0.00 WT3 H ATOM 41478 H2 TIP3 4419 21.464 -8.535 -10.113 1.00 0.00 WT3 H ATOM 41479 OH2 TIP3 4427 -0.167 1.261 -6.906 1.00 0.00 WT3 O ATOM 41480 H1 TIP3 4427 -8.144 -16.644 11.478 1.00 0.00 WT3 H ATOM 41481 H2 TIP3 4427 -22.663 13.528 -14.400 1.00 0.00 WT3 H ATOM 41482 OH2 TIP3 4432 -2.891 2.615 -9.131 1.00 0.00 WT3 O ATOM 41483 H1 TIP3 4432 14.961 1.041 2.431 1.00 0.00 WT3 H ATOM 41484 H2 TIP3 4432 -25.121 8.308 -19.773 1.00 0.00 WT3 H ATOM 41485 OH2 TIP3 4433 -0.451 1.899 -3.523 1.00 0.00 WT3 O ATOM 41486 H1 TIP3 4433 -2.479 -10.298 -11.009 1.00 0.00 WT3 H ATOM 41487 H2 TIP3 4433 -5.444 -7.874 -0.806 1.00 0.00 WT3 H ATOM 41488 OH2 TIP3 4434 -0.370 -6.385 -2.473 1.00 0.00 WT3 O ATOM 41489 H1 TIP3 4434 3.915 -14.715 -21.461 1.00 0.00 WT3 H ATOM 41490 H2 TIP3 4434 -16.813 0.246 -19.891 1.00 0.00 WT3 H ATOM 41491 OH2 TIP3 4436 -0.842 0.273 0.013 1.00 0.00 WT3 O ATOM 41492 H1 TIP3 4436 -13.024 -4.621 3.024 1.00 0.00 WT3 H ATOM 41493 H2 TIP3 4436 -11.998 -9.364 -1.668 1.00 0.00 WT3 H ATOM 41494 OH2 TIP3 4437 0.356 2.866 3.652 1.00 0.00 WT3 O ATOM 41495 H1 TIP3 4437 13.895 -1.387 20.444 1.00 0.00 WT3 H ATOM 41496 H2 TIP3 4437 -14.135 9.356 -5.796 1.00 0.00 WT3 H ATOM 41497 OH2 TIP3 4438 1.667 -9.711 -3.287 1.00 0.00 WT3 O ATOM 41498 H1 TIP3 4438 12.946 -24.183 -11.174 1.00 0.00 WT3 H ATOM 41499 H2 TIP3 4438 -34.617 -2.099 10.231 1.00 0.00 WT3 H ATOM 41500 OH2 TIP3 4446 -6.230 -5.090 2.255 1.00 0.00 WT3 O ATOM 41501 H1 TIP3 4446 -21.328 -6.927 -2.818 1.00 0.00 WT3 H ATOM 41502 H2 TIP3 4446 5.172 -16.712 9.848 1.00 0.00 WT3 H ATOM 41503 OH2 TIP3 4449 -4.522 -1.158 -4.306 1.00 0.00 WT3 O ATOM 41504 H1 TIP3 4449 6.243 -0.014 -2.938 1.00 0.00 WT3 H ATOM 41505 H2 TIP3 4449 0.114 -0.365 13.956 1.00 0.00 WT3 H ATOM 41506 OH2 TIP3 4451 0.456 1.282 2.944 1.00 0.00 WT3 O ATOM 41507 H1 TIP3 4451 -16.502 -11.195 19.962 1.00 0.00 WT3 H ATOM 41508 H2 TIP3 4451 -4.168 14.150 -9.866 1.00 0.00 WT3 H ATOM 41509 OH2 TIP3 4453 2.478 -1.008 -3.924 1.00 0.00 WT3 O ATOM 41510 H1 TIP3 4453 11.742 6.153 -10.117 1.00 0.00 WT3 H ATOM 41511 H2 TIP3 4453 -3.053 -12.466 6.833 1.00 0.00 WT3 H ATOM 41512 OH2 TIP3 4455 -1.608 1.550 -7.382 1.00 0.00 WT3 O ATOM 41513 H1 TIP3 4455 -15.847 21.392 -4.934 1.00 0.00 WT3 H ATOM 41514 H2 TIP3 4455 1.306 -2.239 -7.404 1.00 0.00 WT3 H ATOM 41515 OH2 TIP3 4457 4.717 1.909 -3.167 1.00 0.00 WT3 O ATOM 41516 H1 TIP3 4457 -0.306 10.028 7.461 1.00 0.00 WT3 H ATOM 41517 H2 TIP3 4457 4.804 -10.051 7.956 1.00 0.00 WT3 H ATOM 41518 OH2 TIP3 4460 4.626 -0.186 -7.286 1.00 0.00 WT3 O ATOM 41519 H1 TIP3 4460 3.779 3.110 4.487 1.00 0.00 WT3 H ATOM 41520 H2 TIP3 4460 -1.003 2.504 -2.931 1.00 0.00 WT3 H ATOM 41521 OH2 TIP3 4464 1.197 5.879 -1.601 1.00 0.00 WT3 O ATOM 41522 H1 TIP3 4464 3.873 -1.806 -16.117 1.00 0.00 WT3 H ATOM 41523 H2 TIP3 4464 1.167 -15.000 -12.563 1.00 0.00 WT3 H ATOM 41524 OH2 TIP3 4467 13.254 6.368 -1.233 1.00 0.00 WT3 O ATOM 41525 H1 TIP3 4467 -17.184 -11.285 -1.726 1.00 0.00 WT3 H ATOM 41526 H2 TIP3 4467 11.278 2.367 0.062 1.00 0.00 WT3 H ATOM 41527 OH2 TIP3 4468 -3.551 1.588 5.980 1.00 0.00 WT3 O ATOM 41528 H1 TIP3 4468 -6.168 -21.372 -5.519 1.00 0.00 WT3 H ATOM 41529 H2 TIP3 4468 -6.256 2.628 9.987 1.00 0.00 WT3 H ATOM 41530 OH2 TIP3 4470 -1.969 2.063 0.484 1.00 0.00 WT3 O ATOM 41531 H1 TIP3 4470 -26.788 7.340 -3.794 1.00 0.00 WT3 H ATOM 41532 H2 TIP3 4470 -14.952 -2.692 -27.827 1.00 0.00 WT3 H ATOM 41533 OH2 TIP3 4472 2.858 -2.038 0.559 1.00 0.00 WT3 O ATOM 41534 H1 TIP3 4472 0.228 -8.782 0.358 1.00 0.00 WT3 H ATOM 41535 H2 TIP3 4472 1.477 -2.611 -1.836 1.00 0.00 WT3 H ATOM 41536 OH2 TIP3 4473 4.059 7.674 -2.488 1.00 0.00 WT3 O ATOM 41537 H1 TIP3 4473 -7.541 -8.969 -3.401 1.00 0.00 WT3 H ATOM 41538 H2 TIP3 4473 -7.029 17.614 1.053 1.00 0.00 WT3 H ATOM 41539 OH2 TIP3 4475 4.026 -0.468 -4.277 1.00 0.00 WT3 O ATOM 41540 H1 TIP3 4475 7.678 -3.601 -1.760 1.00 0.00 WT3 H ATOM 41541 H2 TIP3 4475 -5.292 6.234 -8.439 1.00 0.00 WT3 H ATOM 41542 OH2 TIP3 4476 0.542 1.203 1.290 1.00 0.00 WT3 O ATOM 41543 H1 TIP3 4476 3.594 2.583 -0.036 1.00 0.00 WT3 H ATOM 41544 H2 TIP3 4476 11.975 4.133 -4.243 1.00 0.00 WT3 H ATOM 41545 OH2 TIP3 4477 -8.306 -1.717 -3.193 1.00 0.00 WT3 O ATOM 41546 H1 TIP3 4477 -10.236 -7.352 -13.208 1.00 0.00 WT3 H ATOM 41547 H2 TIP3 4477 -11.720 2.101 -9.451 1.00 0.00 WT3 H ATOM 41548 OH2 TIP3 4478 -5.995 -3.235 -0.073 1.00 0.00 WT3 O ATOM 41549 H1 TIP3 4478 -11.279 -2.880 -14.561 1.00 0.00 WT3 H ATOM 41550 H2 TIP3 4478 -20.277 -13.583 -50.741 1.00 0.00 WT3 H ATOM 41551 OH2 TIP3 4479 -4.479 6.145 4.901 1.00 0.00 WT3 O ATOM 41552 H1 TIP3 4479 -7.368 9.822 20.801 1.00 0.00 WT3 H ATOM 41553 H2 TIP3 4479 10.122 1.429 12.022 1.00 0.00 WT3 H ATOM 41554 OH2 TIP3 4480 4.071 3.691 3.829 1.00 0.00 WT3 O ATOM 41555 H1 TIP3 4480 26.061 9.394 0.087 1.00 0.00 WT3 H ATOM 41556 H2 TIP3 4480 -8.202 -10.045 -5.653 1.00 0.00 WT3 H ATOM 41557 OH2 TIP3 4483 -4.728 -1.057 1.544 1.00 0.00 WT3 O ATOM 41558 H1 TIP3 4483 13.913 -9.504 -3.861 1.00 0.00 WT3 H ATOM 41559 H2 TIP3 4483 -32.325 9.881 7.355 1.00 0.00 WT3 H ATOM 41560 OH2 TIP3 4484 -5.531 3.812 1.051 1.00 0.00 WT3 O ATOM 41561 H1 TIP3 4484 1.331 2.472 6.727 1.00 0.00 WT3 H ATOM 41562 H2 TIP3 4484 -4.319 19.325 7.205 1.00 0.00 WT3 H ATOM 41563 OH2 TIP3 4485 1.201 -0.104 3.145 1.00 0.00 WT3 O ATOM 41564 H1 TIP3 4485 -25.533 -3.919 11.394 1.00 0.00 WT3 H ATOM 41565 H2 TIP3 4485 -10.899 8.694 14.610 1.00 0.00 WT3 H ATOM 41566 OH2 TIP3 4489 0.777 -3.490 -0.307 1.00 0.00 WT3 O ATOM 41567 H1 TIP3 4489 5.362 7.166 -5.909 1.00 0.00 WT3 H ATOM 41568 H2 TIP3 4489 14.678 -3.188 -1.090 1.00 0.00 WT3 H ATOM 41569 OH2 TIP3 4493 5.634 -1.427 -4.585 1.00 0.00 WT3 O ATOM 41570 H1 TIP3 4493 5.953 -8.178 -5.333 1.00 0.00 WT3 H ATOM 41571 H2 TIP3 4493 -0.510 -4.950 -3.259 1.00 0.00 WT3 H ATOM 41572 OH2 TIP3 4494 -3.136 -4.015 -0.476 1.00 0.00 WT3 O ATOM 41573 H1 TIP3 4494 1.887 10.076 12.239 1.00 0.00 WT3 H ATOM 41574 H2 TIP3 4494 2.829 3.553 6.476 1.00 0.00 WT3 H ATOM 41575 OH2 TIP3 4495 2.912 -0.017 2.648 1.00 0.00 WT3 O ATOM 41576 H1 TIP3 4495 6.213 -1.254 6.113 1.00 0.00 WT3 H ATOM 41577 H2 TIP3 4495 1.797 0.561 1.075 1.00 0.00 WT3 H ATOM 41578 OH2 TIP3 4496 3.505 7.788 0.042 1.00 0.00 WT3 O ATOM 41579 H1 TIP3 4496 2.708 9.088 11.060 1.00 0.00 WT3 H ATOM 41580 H2 TIP3 4496 -13.265 7.625 9.220 1.00 0.00 WT3 H ATOM 41581 OH2 TIP3 4498 -4.797 -0.256 -2.845 1.00 0.00 WT3 O ATOM 41582 H1 TIP3 4498 -1.124 5.205 -4.996 1.00 0.00 WT3 H ATOM 41583 H2 TIP3 4498 -7.000 0.770 3.456 1.00 0.00 WT3 H ATOM 41584 OH2 TIP3 4499 -5.577 -5.347 4.434 1.00 0.00 WT3 O ATOM 41585 H1 TIP3 4499 8.862 14.604 0.648 1.00 0.00 WT3 H ATOM 41586 H2 TIP3 4499 12.696 6.800 -5.284 1.00 0.00 WT3 H ATOM 41587 OH2 TIP3 4500 4.327 -2.977 0.605 1.00 0.00 WT3 O ATOM 41588 H1 TIP3 4500 -12.313 2.192 -0.900 1.00 0.00 WT3 H ATOM 41589 H2 TIP3 4500 12.996 3.176 6.897 1.00 0.00 WT3 H ATOM 41590 OH2 TIP3 4501 -1.392 -5.110 -1.299 1.00 0.00 WT3 O ATOM 41591 H1 TIP3 4501 -8.844 -19.662 -53.260 1.00 0.00 WT3 H ATOM 41592 H2 TIP3 4501 12.930 -13.008 16.449 1.00 0.00 WT3 H ATOM 41593 OH2 TIP3 4503 0.975 -0.567 1.136 1.00 0.00 WT3 O ATOM 41594 H1 TIP3 4503 -16.488 -9.838 -2.165 1.00 0.00 WT3 H ATOM 41595 H2 TIP3 4503 5.324 -10.615 -34.763 1.00 0.00 WT3 H ATOM 41596 OH2 TIP3 4506 -3.171 0.808 -2.450 1.00 0.00 WT3 O ATOM 41597 H1 TIP3 4506 -8.759 -10.791 2.229 1.00 0.00 WT3 H ATOM 41598 H2 TIP3 4506 0.956 3.197 5.092 1.00 0.00 WT3 H ATOM 41599 OH2 TIP3 4508 -0.460 0.586 2.214 1.00 0.00 WT3 O ATOM 41600 H1 TIP3 4508 12.841 7.761 -28.545 1.00 0.00 WT3 H ATOM 41601 H2 TIP3 4508 -18.518 -11.674 -16.753 1.00 0.00 WT3 H ATOM 41602 OH2 TIP3 4510 1.485 2.781 -2.329 1.00 0.00 WT3 O ATOM 41603 H1 TIP3 4510 15.790 -11.287 17.226 1.00 0.00 WT3 H ATOM 41604 H2 TIP3 4510 -0.242 -8.871 -4.050 1.00 0.00 WT3 H ATOM 41605 OH2 TIP3 4511 -0.353 1.167 8.825 1.00 0.00 WT3 O ATOM 41606 H1 TIP3 4511 3.439 5.686 7.481 1.00 0.00 WT3 H ATOM 41607 H2 TIP3 4511 -15.745 6.405 -7.368 1.00 0.00 WT3 H ATOM 41608 OH2 TIP3 4513 -0.374 -5.942 0.916 1.00 0.00 WT3 O ATOM 41609 H1 TIP3 4513 13.157 -25.148 -9.631 1.00 0.00 WT3 H ATOM 41610 H2 TIP3 4513 11.511 10.635 -7.751 1.00 0.00 WT3 H ATOM 41611 OH2 TIP3 4515 -4.162 1.883 -2.346 1.00 0.00 WT3 O ATOM 41612 H1 TIP3 4515 6.801 -2.838 14.724 1.00 0.00 WT3 H ATOM 41613 H2 TIP3 4515 10.296 7.249 -8.828 1.00 0.00 WT3 H ATOM 41614 OH2 TIP3 4516 -4.036 -4.759 2.162 1.00 0.00 WT3 O ATOM 41615 H1 TIP3 4516 -5.812 2.424 -13.317 1.00 0.00 WT3 H ATOM 41616 H2 TIP3 4516 -13.954 -12.881 0.379 1.00 0.00 WT3 H ATOM 41617 OH2 TIP3 4517 -0.321 2.133 3.129 1.00 0.00 WT3 O ATOM 41618 H1 TIP3 4517 -11.718 -11.024 10.115 1.00 0.00 WT3 H ATOM 41619 H2 TIP3 4517 -33.519 27.508 10.826 1.00 0.00 WT3 H ATOM 41620 OH2 TIP3 4518 0.639 -2.680 -2.401 1.00 0.00 WT3 O ATOM 41621 H1 TIP3 4518 -5.337 11.616 5.979 1.00 0.00 WT3 H ATOM 41622 H2 TIP3 4518 2.493 6.530 5.802 1.00 0.00 WT3 H ATOM 41623 OH2 TIP3 4519 1.059 -4.848 10.523 1.00 0.00 WT3 O ATOM 41624 H1 TIP3 4519 -21.940 -6.887 2.391 1.00 0.00 WT3 H ATOM 41625 H2 TIP3 4519 1.993 6.847 18.319 1.00 0.00 WT3 H ATOM 41626 OH2 TIP3 4520 -1.523 1.754 -3.587 1.00 0.00 WT3 O ATOM 41627 H1 TIP3 4520 -10.962 4.573 2.689 1.00 0.00 WT3 H ATOM 41628 H2 TIP3 4520 -9.779 -1.194 -6.385 1.00 0.00 WT3 H ATOM 41629 OH2 TIP3 4523 1.904 2.059 3.105 1.00 0.00 WT3 O ATOM 41630 H1 TIP3 4523 11.423 -15.760 -0.234 1.00 0.00 WT3 H ATOM 41631 H2 TIP3 4523 -6.643 -8.551 11.055 1.00 0.00 WT3 H ATOM 41632 OH2 TIP3 4524 -3.505 3.680 0.622 1.00 0.00 WT3 O ATOM 41633 H1 TIP3 4524 -11.830 11.094 -7.475 1.00 0.00 WT3 H ATOM 41634 H2 TIP3 4524 19.277 -2.594 11.130 1.00 0.00 WT3 H ATOM 41635 OH2 TIP3 4526 -2.609 -6.442 -3.112 1.00 0.00 WT3 O ATOM 41636 H1 TIP3 4526 -11.999 17.740 16.513 1.00 0.00 WT3 H ATOM 41637 H2 TIP3 4526 13.716 7.497 -1.582 1.00 0.00 WT3 H ATOM 41638 OH2 TIP3 4528 0.134 -0.948 -3.967 1.00 0.00 WT3 O ATOM 41639 H1 TIP3 4528 4.390 -5.640 -9.214 1.00 0.00 WT3 H ATOM 41640 H2 TIP3 4528 -0.576 6.695 2.826 1.00 0.00 WT3 H ATOM 41641 OH2 TIP3 4530 0.287 2.106 3.632 1.00 0.00 WT3 O ATOM 41642 H1 TIP3 4530 6.491 2.949 1.820 1.00 0.00 WT3 H ATOM 41643 H2 TIP3 4530 5.156 16.419 -14.563 1.00 0.00 WT3 H ATOM 41644 OH2 TIP3 4532 4.189 -0.589 1.596 1.00 0.00 WT3 O ATOM 41645 H1 TIP3 4532 25.778 -18.464 21.685 1.00 0.00 WT3 H ATOM 41646 H2 TIP3 4532 17.829 -5.777 -0.598 1.00 0.00 WT3 H ATOM 41647 OH2 TIP3 4533 2.849 0.902 0.229 1.00 0.00 WT3 O ATOM 41648 H1 TIP3 4533 3.496 -3.906 10.171 1.00 0.00 WT3 H ATOM 41649 H2 TIP3 4533 -3.029 -1.714 -3.945 1.00 0.00 WT3 H ATOM 41650 OH2 TIP3 4534 -0.125 -0.834 -6.391 1.00 0.00 WT3 O ATOM 41651 H1 TIP3 4534 4.475 14.694 -5.413 1.00 0.00 WT3 H ATOM 41652 H2 TIP3 4534 11.845 36.551 -10.576 1.00 0.00 WT3 H ATOM 41653 OH2 TIP3 4535 0.334 4.154 7.908 1.00 0.00 WT3 O ATOM 41654 H1 TIP3 4535 14.666 -5.228 -2.062 1.00 0.00 WT3 H ATOM 41655 H2 TIP3 4535 -16.867 10.627 -1.629 1.00 0.00 WT3 H ATOM 41656 OH2 TIP3 4536 -3.683 -1.846 -2.728 1.00 0.00 WT3 O ATOM 41657 H1 TIP3 4536 -11.859 -8.546 -12.901 1.00 0.00 WT3 H ATOM 41658 H2 TIP3 4536 1.364 22.657 24.771 1.00 0.00 WT3 H ATOM 41659 OH2 TIP3 4537 4.378 1.770 -3.635 1.00 0.00 WT3 O ATOM 41660 H1 TIP3 4537 6.797 -0.781 -16.730 1.00 0.00 WT3 H ATOM 41661 H2 TIP3 4537 -8.073 -10.452 12.408 1.00 0.00 WT3 H ATOM 41662 OH2 TIP3 4538 -3.618 -3.545 2.503 1.00 0.00 WT3 O ATOM 41663 H1 TIP3 4538 -10.221 -27.238 -3.236 1.00 0.00 WT3 H ATOM 41664 H2 TIP3 4538 -0.468 9.381 -0.975 1.00 0.00 WT3 H ATOM 41665 OH2 TIP3 4539 3.041 3.685 5.456 1.00 0.00 WT3 O ATOM 41666 H1 TIP3 4539 -6.201 8.535 3.785 1.00 0.00 WT3 H ATOM 41667 H2 TIP3 4539 -5.813 7.762 1.013 1.00 0.00 WT3 H ATOM 41668 OH2 TIP3 4541 2.161 -0.557 2.229 1.00 0.00 WT3 O ATOM 41669 H1 TIP3 4541 -5.259 -2.441 -12.518 1.00 0.00 WT3 H ATOM 41670 H2 TIP3 4541 -1.730 -11.449 13.232 1.00 0.00 WT3 H ATOM 41671 OH2 TIP3 4542 -1.305 -0.367 -0.527 1.00 0.00 WT3 O ATOM 41672 H1 TIP3 4542 -12.138 -6.307 15.252 1.00 0.00 WT3 H ATOM 41673 H2 TIP3 4542 -15.423 6.467 -11.965 1.00 0.00 WT3 H ATOM 41674 OH2 TIP3 4543 -0.265 0.018 -0.352 1.00 0.00 WT3 O ATOM 41675 H1 TIP3 4543 0.719 1.481 -0.746 1.00 0.00 WT3 H ATOM 41676 H2 TIP3 4543 0.510 -9.967 21.664 1.00 0.00 WT3 H ATOM 41677 OH2 TIP3 4544 0.228 -9.422 -3.133 1.00 0.00 WT3 O ATOM 41678 H1 TIP3 4544 5.047 -14.278 2.916 1.00 0.00 WT3 H ATOM 41679 H2 TIP3 4544 -4.821 17.811 -35.178 1.00 0.00 WT3 H ATOM 41680 OH2 TIP3 4546 1.712 8.072 0.484 1.00 0.00 WT3 O ATOM 41681 H1 TIP3 4546 -7.173 6.623 -7.075 1.00 0.00 WT3 H ATOM 41682 H2 TIP3 4546 20.131 18.091 5.235 1.00 0.00 WT3 H ATOM 41683 OH2 TIP3 4547 4.862 2.533 4.584 1.00 0.00 WT3 O ATOM 41684 H1 TIP3 4547 21.681 31.846 22.468 1.00 0.00 WT3 H ATOM 41685 H2 TIP3 4547 -7.275 -2.012 -4.528 1.00 0.00 WT3 H ATOM 41686 OH2 TIP3 4548 3.342 -1.012 2.014 1.00 0.00 WT3 O ATOM 41687 H1 TIP3 4548 -13.383 0.514 18.792 1.00 0.00 WT3 H ATOM 41688 H2 TIP3 4548 9.567 -6.805 -16.356 1.00 0.00 WT3 H ATOM 41689 OH2 TIP3 4549 -2.725 -6.130 1.048 1.00 0.00 WT3 O ATOM 41690 H1 TIP3 4549 -28.891 -19.464 32.849 1.00 0.00 WT3 H ATOM 41691 H2 TIP3 4549 12.511 -0.729 -18.940 1.00 0.00 WT3 H ATOM 41692 OH2 TIP3 4552 2.659 -2.189 7.630 1.00 0.00 WT3 O ATOM 41693 H1 TIP3 4552 -3.196 0.483 19.520 1.00 0.00 WT3 H ATOM 41694 H2 TIP3 4552 15.856 3.686 10.847 1.00 0.00 WT3 H ATOM 41695 OH2 TIP3 4553 0.522 1.529 -3.485 1.00 0.00 WT3 O ATOM 41696 H1 TIP3 4553 -8.280 21.521 -9.005 1.00 0.00 WT3 H ATOM 41697 H2 TIP3 4553 -8.482 -9.104 -6.442 1.00 0.00 WT3 H ATOM 41698 OH2 TIP3 4554 3.110 -0.987 -3.843 1.00 0.00 WT3 O ATOM 41699 H1 TIP3 4554 -4.326 12.138 -1.060 1.00 0.00 WT3 H ATOM 41700 H2 TIP3 4554 11.449 -7.849 -14.357 1.00 0.00 WT3 H ATOM 41701 OH2 TIP3 4555 -3.557 4.433 0.485 1.00 0.00 WT3 O ATOM 41702 H1 TIP3 4555 7.728 -12.991 -1.789 1.00 0.00 WT3 H ATOM 41703 H2 TIP3 4555 -16.642 0.513 16.034 1.00 0.00 WT3 H ATOM 41704 OH2 TIP3 4556 5.412 -3.650 2.864 1.00 0.00 WT3 O ATOM 41705 H1 TIP3 4556 14.141 14.144 4.474 1.00 0.00 WT3 H ATOM 41706 H2 TIP3 4556 -13.894 0.802 0.101 1.00 0.00 WT3 H ATOM 41707 OH2 TIP3 4557 10.744 1.234 -0.913 1.00 0.00 WT3 O ATOM 41708 H1 TIP3 4557 16.818 1.252 6.109 1.00 0.00 WT3 H ATOM 41709 H2 TIP3 4557 2.986 -0.680 5.078 1.00 0.00 WT3 H ATOM 41710 OH2 TIP3 4558 -0.698 -0.596 2.182 1.00 0.00 WT3 O ATOM 41711 H1 TIP3 4558 3.503 -4.522 4.868 1.00 0.00 WT3 H ATOM 41712 H2 TIP3 4558 -0.646 -3.098 6.033 1.00 0.00 WT3 H ATOM 41713 OH2 TIP3 4559 -2.620 3.528 -1.589 1.00 0.00 WT3 O ATOM 41714 H1 TIP3 4559 -10.397 7.254 -12.900 1.00 0.00 WT3 H ATOM 41715 H2 TIP3 4559 -14.264 1.068 -12.093 1.00 0.00 WT3 H ATOM 41716 OH2 TIP3 4560 0.226 -3.122 -0.819 1.00 0.00 WT3 O ATOM 41717 H1 TIP3 4560 28.437 7.934 -10.698 1.00 0.00 WT3 H ATOM 41718 H2 TIP3 4560 -12.433 -1.084 3.462 1.00 0.00 WT3 H ATOM 41719 OH2 TIP3 4561 -4.332 4.397 6.800 1.00 0.00 WT3 O ATOM 41720 H1 TIP3 4561 -8.637 4.689 22.396 1.00 0.00 WT3 H ATOM 41721 H2 TIP3 4561 14.376 5.068 10.509 1.00 0.00 WT3 H ATOM 41722 OH2 TIP3 4562 1.636 -3.893 -1.801 1.00 0.00 WT3 O ATOM 41723 H1 TIP3 4562 -4.375 -0.256 -13.246 1.00 0.00 WT3 H ATOM 41724 H2 TIP3 4562 11.040 30.822 4.860 1.00 0.00 WT3 H ATOM 41725 OH2 TIP3 4564 -0.436 0.165 -6.784 1.00 0.00 WT3 O ATOM 41726 H1 TIP3 4564 0.456 4.628 -31.553 1.00 0.00 WT3 H ATOM 41727 H2 TIP3 4564 -12.941 -18.039 -11.413 1.00 0.00 WT3 H ATOM 41728 OH2 TIP3 4566 0.836 -3.852 1.844 1.00 0.00 WT3 O ATOM 41729 H1 TIP3 4566 16.523 21.091 -4.060 1.00 0.00 WT3 H ATOM 41730 H2 TIP3 4566 2.122 10.351 1.231 1.00 0.00 WT3 H ATOM 41731 OH2 TIP3 4567 0.504 0.768 -7.513 1.00 0.00 WT3 O ATOM 41732 H1 TIP3 4567 13.508 19.004 6.016 1.00 0.00 WT3 H ATOM 41733 H2 TIP3 4567 10.578 11.407 6.720 1.00 0.00 WT3 H ATOM 41734 OH2 TIP3 4568 -7.808 4.085 6.038 1.00 0.00 WT3 O ATOM 41735 H1 TIP3 4568 -3.858 -11.026 -7.472 1.00 0.00 WT3 H ATOM 41736 H2 TIP3 4568 -11.081 -13.870 -26.241 1.00 0.00 WT3 H ATOM 41737 OH2 TIP3 4569 -0.971 -8.810 5.590 1.00 0.00 WT3 O ATOM 41738 H1 TIP3 4569 -0.296 -23.502 12.480 1.00 0.00 WT3 H ATOM 41739 H2 TIP3 4569 -3.462 15.292 -18.899 1.00 0.00 WT3 H ATOM 41740 OH2 TIP3 4570 3.098 -1.150 -1.565 1.00 0.00 WT3 O ATOM 41741 H1 TIP3 4570 6.887 1.014 -13.445 1.00 0.00 WT3 H ATOM 41742 H2 TIP3 4570 -3.718 -10.801 12.426 1.00 0.00 WT3 H ATOM 41743 OH2 TIP3 4571 1.425 -4.814 4.106 1.00 0.00 WT3 O ATOM 41744 H1 TIP3 4571 8.016 -16.178 10.020 1.00 0.00 WT3 H ATOM 41745 H2 TIP3 4571 -22.317 4.239 -6.799 1.00 0.00 WT3 H ATOM 41746 OH2 TIP3 4572 7.021 -3.612 -6.208 1.00 0.00 WT3 O ATOM 41747 H1 TIP3 4572 8.101 -3.176 -8.455 1.00 0.00 WT3 H ATOM 41748 H2 TIP3 4572 -8.766 -12.998 0.865 1.00 0.00 WT3 H ATOM 41749 OH2 TIP3 4573 4.377 -2.814 1.527 1.00 0.00 WT3 O ATOM 41750 H1 TIP3 4573 -22.193 -3.076 9.950 1.00 0.00 WT3 H ATOM 41751 H2 TIP3 4573 16.807 29.370 -3.184 1.00 0.00 WT3 H ATOM 41752 OH2 TIP3 4574 1.422 3.738 1.711 1.00 0.00 WT3 O ATOM 41753 H1 TIP3 4574 5.612 12.080 4.797 1.00 0.00 WT3 H ATOM 41754 H2 TIP3 4574 5.675 5.740 8.098 1.00 0.00 WT3 H ATOM 41755 OH2 TIP3 4575 1.111 -1.928 -0.392 1.00 0.00 WT3 O ATOM 41756 H1 TIP3 4575 -2.735 -1.896 3.922 1.00 0.00 WT3 H ATOM 41757 H2 TIP3 4575 1.037 -6.970 0.387 1.00 0.00 WT3 H ATOM 41758 OH2 TIP3 4576 -0.127 -1.769 5.853 1.00 0.00 WT3 O ATOM 41759 H1 TIP3 4576 3.875 -0.985 6.066 1.00 0.00 WT3 H ATOM 41760 H2 TIP3 4576 -17.669 -8.439 6.450 1.00 0.00 WT3 H ATOM 41761 OH2 TIP3 4578 -6.942 2.356 3.452 1.00 0.00 WT3 O ATOM 41762 H1 TIP3 4578 10.676 -0.448 6.611 1.00 0.00 WT3 H ATOM 41763 H2 TIP3 4578 -8.542 1.320 -14.037 1.00 0.00 WT3 H ATOM 41764 OH2 TIP3 4579 -1.389 2.123 -1.840 1.00 0.00 WT3 O ATOM 41765 H1 TIP3 4579 -5.274 5.672 6.051 1.00 0.00 WT3 H ATOM 41766 H2 TIP3 4579 4.628 -4.125 -16.210 1.00 0.00 WT3 H ATOM 41767 OH2 TIP3 4581 -1.450 5.870 -0.252 1.00 0.00 WT3 O ATOM 41768 H1 TIP3 4581 -7.376 -11.349 -11.570 1.00 0.00 WT3 H ATOM 41769 H2 TIP3 4581 -9.353 0.817 21.413 1.00 0.00 WT3 H ATOM 41770 OH2 TIP3 4582 0.578 -1.104 -3.913 1.00 0.00 WT3 O ATOM 41771 H1 TIP3 4582 -0.489 1.968 -9.020 1.00 0.00 WT3 H ATOM 41772 H2 TIP3 4582 1.474 14.699 -1.935 1.00 0.00 WT3 H ATOM 41773 OH2 TIP3 4585 -2.051 3.269 2.480 1.00 0.00 WT3 O ATOM 41774 H1 TIP3 4585 3.398 4.970 5.093 1.00 0.00 WT3 H ATOM 41775 H2 TIP3 4585 -3.568 -5.912 2.097 1.00 0.00 WT3 H ATOM 41776 OH2 TIP3 4586 0.871 1.845 1.345 1.00 0.00 WT3 O ATOM 41777 H1 TIP3 4586 -16.915 -10.129 4.003 1.00 0.00 WT3 H ATOM 41778 H2 TIP3 4586 12.529 -8.905 -2.685 1.00 0.00 WT3 H ATOM 41779 OH2 TIP3 4587 -0.168 -4.455 2.846 1.00 0.00 WT3 O ATOM 41780 H1 TIP3 4587 -4.170 0.538 -4.746 1.00 0.00 WT3 H ATOM 41781 H2 TIP3 4587 -3.025 -13.137 1.342 1.00 0.00 WT3 H ATOM 41782 OH2 TIP3 4588 -1.978 4.985 -6.487 1.00 0.00 WT3 O ATOM 41783 H1 TIP3 4588 16.652 -3.175 -4.931 1.00 0.00 WT3 H ATOM 41784 H2 TIP3 4588 -9.425 8.055 -7.388 1.00 0.00 WT3 H ATOM 41785 OH2 TIP3 4592 4.898 -5.921 2.692 1.00 0.00 WT3 O ATOM 41786 H1 TIP3 4592 -12.748 -4.081 4.237 1.00 0.00 WT3 H ATOM 41787 H2 TIP3 4592 -18.740 -22.365 6.435 1.00 0.00 WT3 H ATOM 41788 OH2 TIP3 4594 -6.824 7.863 -3.372 1.00 0.00 WT3 O ATOM 41789 H1 TIP3 4594 17.854 -14.462 34.095 1.00 0.00 WT3 H ATOM 41790 H2 TIP3 4594 17.338 17.349 -11.731 1.00 0.00 WT3 H ATOM 41791 OH2 TIP3 4596 -0.752 -2.852 0.039 1.00 0.00 WT3 O ATOM 41792 H1 TIP3 4596 7.550 -7.371 6.323 1.00 0.00 WT3 H ATOM 41793 H2 TIP3 4596 -9.133 2.789 -2.845 1.00 0.00 WT3 H ATOM 41794 OH2 TIP3 4597 1.292 -9.428 6.040 1.00 0.00 WT3 O ATOM 41795 H1 TIP3 4597 15.405 -3.057 1.076 1.00 0.00 WT3 H ATOM 41796 H2 TIP3 4597 -7.865 -9.941 -7.143 1.00 0.00 WT3 H ATOM 41797 OH2 TIP3 4598 1.686 2.601 3.405 1.00 0.00 WT3 O ATOM 41798 H1 TIP3 4598 20.584 -9.477 12.428 1.00 0.00 WT3 H ATOM 41799 H2 TIP3 4598 10.678 21.634 -7.327 1.00 0.00 WT3 H ATOM 41800 OH2 TIP3 4599 1.175 7.734 -5.055 1.00 0.00 WT3 O ATOM 41801 H1 TIP3 4599 8.939 -4.714 7.845 1.00 0.00 WT3 H ATOM 41802 H2 TIP3 4599 4.169 4.489 -0.124 1.00 0.00 WT3 H ATOM 41803 OH2 TIP3 4600 1.637 1.185 4.445 1.00 0.00 WT3 O ATOM 41804 H1 TIP3 4600 31.073 -15.401 -12.227 1.00 0.00 WT3 H ATOM 41805 H2 TIP3 4600 -4.870 32.357 -16.264 1.00 0.00 WT3 H ATOM 41806 OH2 TIP3 4605 3.335 -0.060 -7.058 1.00 0.00 WT3 O ATOM 41807 H1 TIP3 4605 3.517 -0.122 -19.579 1.00 0.00 WT3 H ATOM 41808 H2 TIP3 4605 -18.618 12.505 -9.759 1.00 0.00 WT3 H ATOM 41809 OH2 TIP3 4606 -2.737 5.536 1.466 1.00 0.00 WT3 O ATOM 41810 H1 TIP3 4606 4.891 -7.678 11.675 1.00 0.00 WT3 H ATOM 41811 H2 TIP3 4606 8.930 9.103 -8.145 1.00 0.00 WT3 H ATOM 41812 OH2 TIP3 4607 5.011 -4.667 1.636 1.00 0.00 WT3 O ATOM 41813 H1 TIP3 4607 -8.470 -13.032 1.459 1.00 0.00 WT3 H ATOM 41814 H2 TIP3 4607 22.438 4.715 2.737 1.00 0.00 WT3 H ATOM 41815 OH2 TIP3 4610 -0.445 2.075 -3.856 1.00 0.00 WT3 O ATOM 41816 H1 TIP3 4610 -2.646 -16.929 -7.478 1.00 0.00 WT3 H ATOM 41817 H2 TIP3 4610 8.500 0.170 7.079 1.00 0.00 WT3 H ATOM 41818 OH2 TIP3 4611 0.885 2.455 -6.691 1.00 0.00 WT3 O ATOM 41819 H1 TIP3 4611 9.404 -0.046 -24.378 1.00 0.00 WT3 H ATOM 41820 H2 TIP3 4611 -10.230 1.862 -6.374 1.00 0.00 WT3 H ATOM 41821 OH2 TIP3 4612 -3.771 4.089 1.947 1.00 0.00 WT3 O ATOM 41822 H1 TIP3 4612 -10.498 12.264 0.524 1.00 0.00 WT3 H ATOM 41823 H2 TIP3 4612 19.087 7.061 -7.350 1.00 0.00 WT3 H ATOM 41824 OH2 TIP3 4614 -2.396 -0.533 3.537 1.00 0.00 WT3 O ATOM 41825 H1 TIP3 4614 -4.670 9.104 -25.796 1.00 0.00 WT3 H ATOM 41826 H2 TIP3 4614 1.300 -22.666 4.708 1.00 0.00 WT3 H ATOM 41827 OH2 TIP3 4615 0.169 -3.518 0.294 1.00 0.00 WT3 O ATOM 41828 H1 TIP3 4615 24.351 -14.880 14.938 1.00 0.00 WT3 H ATOM 41829 H2 TIP3 4615 -13.955 4.362 -11.170 1.00 0.00 WT3 H ATOM 41830 OH2 TIP3 4616 4.478 1.248 1.160 1.00 0.00 WT3 O ATOM 41831 H1 TIP3 4616 2.383 -8.265 -6.461 1.00 0.00 WT3 H ATOM 41832 H2 TIP3 4616 -0.656 -3.344 -8.815 1.00 0.00 WT3 H ATOM 41833 OH2 TIP3 4617 -2.428 0.560 2.261 1.00 0.00 WT3 O ATOM 41834 H1 TIP3 4617 -8.611 -5.800 2.727 1.00 0.00 WT3 H ATOM 41835 H2 TIP3 4617 1.246 1.014 -0.684 1.00 0.00 WT3 H ATOM 41836 OH2 TIP3 4619 0.555 4.473 0.705 1.00 0.00 WT3 O ATOM 41837 H1 TIP3 4619 -9.897 14.719 3.702 1.00 0.00 WT3 H ATOM 41838 H2 TIP3 4619 -10.305 -9.615 -5.278 1.00 0.00 WT3 H ATOM 41839 OH2 TIP3 4620 -5.822 4.975 -0.923 1.00 0.00 WT3 O ATOM 41840 H1 TIP3 4620 -8.745 0.130 -1.758 1.00 0.00 WT3 H ATOM 41841 H2 TIP3 4620 -4.212 13.137 -2.269 1.00 0.00 WT3 H ATOM 41842 OH2 TIP3 4624 -3.296 2.343 2.476 1.00 0.00 WT3 O ATOM 41843 H1 TIP3 4624 1.796 -35.098 -18.958 1.00 0.00 WT3 H ATOM 41844 H2 TIP3 4624 0.324 -3.339 -25.741 1.00 0.00 WT3 H ATOM 41845 OH2 TIP3 4625 -0.898 0.533 -2.404 1.00 0.00 WT3 O ATOM 41846 H1 TIP3 4625 17.108 2.065 2.221 1.00 0.00 WT3 H ATOM 41847 H2 TIP3 4625 -0.788 0.410 -2.314 1.00 0.00 WT3 H ATOM 41848 OH2 TIP3 4626 -7.101 -3.013 2.026 1.00 0.00 WT3 O ATOM 41849 H1 TIP3 4626 3.542 -17.786 16.339 1.00 0.00 WT3 H ATOM 41850 H2 TIP3 4626 -4.763 9.514 20.193 1.00 0.00 WT3 H ATOM 41851 OH2 TIP3 4628 -1.845 -2.774 -4.222 1.00 0.00 WT3 O ATOM 41852 H1 TIP3 4628 4.480 -1.401 10.802 1.00 0.00 WT3 H ATOM 41853 H2 TIP3 4628 0.056 -7.686 -7.551 1.00 0.00 WT3 H ATOM 41854 OH2 TIP3 4630 -3.169 -2.115 3.048 1.00 0.00 WT3 O ATOM 41855 H1 TIP3 4630 6.672 -7.453 -1.648 1.00 0.00 WT3 H ATOM 41856 H2 TIP3 4630 -41.564 -1.779 -4.282 1.00 0.00 WT3 H ATOM 41857 OH2 TIP3 4631 1.548 8.220 0.028 1.00 0.00 WT3 O ATOM 41858 H1 TIP3 4631 -9.985 -8.578 -17.772 1.00 0.00 WT3 H ATOM 41859 H2 TIP3 4631 3.642 13.378 1.037 1.00 0.00 WT3 H ATOM 41860 OH2 TIP3 4638 -2.638 0.790 1.655 1.00 0.00 WT3 O ATOM 41861 H1 TIP3 4638 -14.511 0.135 6.081 1.00 0.00 WT3 H ATOM 41862 H2 TIP3 4638 9.160 -1.428 8.516 1.00 0.00 WT3 H ATOM 41863 OH2 TIP3 4639 0.100 -0.031 1.528 1.00 0.00 WT3 O ATOM 41864 H1 TIP3 4639 1.100 -6.429 -7.165 1.00 0.00 WT3 H ATOM 41865 H2 TIP3 4639 10.685 1.319 -8.433 1.00 0.00 WT3 H ATOM 41866 OH2 TIP3 4644 6.593 -0.696 -4.219 1.00 0.00 WT3 O ATOM 41867 H1 TIP3 4644 2.964 9.452 -3.714 1.00 0.00 WT3 H ATOM 41868 H2 TIP3 4644 7.044 -8.102 -7.685 1.00 0.00 WT3 H ATOM 41869 OH2 TIP3 4649 1.818 6.771 -1.678 1.00 0.00 WT3 O ATOM 41870 H1 TIP3 4649 -19.114 13.062 16.490 1.00 0.00 WT3 H ATOM 41871 H2 TIP3 4649 -2.000 -3.083 1.138 1.00 0.00 WT3 H ATOM 41872 OH2 TIP3 4654 1.676 1.660 -4.371 1.00 0.00 WT3 O ATOM 41873 H1 TIP3 4654 12.649 -11.613 15.718 1.00 0.00 WT3 H ATOM 41874 H2 TIP3 4654 -5.406 -4.985 16.837 1.00 0.00 WT3 H ATOM 41875 OH2 TIP3 4656 2.177 -3.313 4.566 1.00 0.00 WT3 O ATOM 41876 H1 TIP3 4656 18.692 -0.402 -19.595 1.00 0.00 WT3 H ATOM 41877 H2 TIP3 4656 11.698 3.124 4.628 1.00 0.00 WT3 H ATOM 41878 OH2 TIP3 4657 -2.921 0.396 -3.342 1.00 0.00 WT3 O ATOM 41879 H1 TIP3 4657 14.983 -2.899 -4.164 1.00 0.00 WT3 H ATOM 41880 H2 TIP3 4657 10.891 7.632 1.041 1.00 0.00 WT3 H ATOM 41881 OH2 TIP3 4662 -0.475 3.970 -0.306 1.00 0.00 WT3 O ATOM 41882 H1 TIP3 4662 -0.502 -23.892 7.310 1.00 0.00 WT3 H ATOM 41883 H2 TIP3 4662 -5.186 5.379 3.375 1.00 0.00 WT3 H ATOM 41884 OH2 TIP3 4663 0.194 2.658 -0.386 1.00 0.00 WT3 O ATOM 41885 H1 TIP3 4663 -2.266 -3.547 7.168 1.00 0.00 WT3 H ATOM 41886 H2 TIP3 4663 2.063 9.970 -9.359 1.00 0.00 WT3 H ATOM 41887 OH2 TIP3 4695 -1.817 -2.350 -2.530 1.00 0.00 WT3 O ATOM 41888 H1 TIP3 4695 -8.399 -12.086 21.893 1.00 0.00 WT3 H ATOM 41889 H2 TIP3 4695 16.944 -10.192 -16.233 1.00 0.00 WT3 H ATOM 41890 OH2 TIP3 4701 0.984 2.505 -0.321 1.00 0.00 WT3 O ATOM 41891 H1 TIP3 4701 13.563 18.902 19.043 1.00 0.00 WT3 H ATOM 41892 H2 TIP3 4701 19.349 -7.402 5.555 1.00 0.00 WT3 H ATOM 41893 OH2 TIP3 4719 -3.071 -1.846 -0.726 1.00 0.00 WT3 O ATOM 41894 H1 TIP3 4719 2.416 1.358 -10.846 1.00 0.00 WT3 H ATOM 41895 H2 TIP3 4719 -8.160 6.227 3.008 1.00 0.00 WT3 H ATOM 41896 OH2 TIP3 4725 -6.158 1.583 3.197 1.00 0.00 WT3 O ATOM 41897 H1 TIP3 4725 -18.242 -33.468 15.341 1.00 0.00 WT3 H ATOM 41898 H2 TIP3 4725 3.147 20.142 -13.178 1.00 0.00 WT3 H ATOM 41899 OH2 TIP3 4797 -9.230 0.916 -3.052 1.00 0.00 WT3 O ATOM 41900 H1 TIP3 4797 -10.206 6.663 7.135 1.00 0.00 WT3 H ATOM 41901 H2 TIP3 4797 -8.305 -4.219 -0.183 1.00 0.00 WT3 H ATOM 41902 OH2 TIP3 4807 4.666 -5.263 -0.376 1.00 0.00 WT3 O ATOM 41903 H1 TIP3 4807 1.219 5.042 -34.908 1.00 0.00 WT3 H ATOM 41904 H2 TIP3 4807 -18.220 2.744 9.315 1.00 0.00 WT3 H ATOM 41905 OH2 TIP3 4808 -2.145 -4.729 3.680 1.00 0.00 WT3 O ATOM 41906 H1 TIP3 4808 1.722 -2.441 14.833 1.00 0.00 WT3 H ATOM 41907 H2 TIP3 4808 -18.506 8.418 22.242 1.00 0.00 WT3 H ATOM 41908 OH2 TIP3 4809 3.304 -2.062 -1.771 1.00 0.00 WT3 O ATOM 41909 H1 TIP3 4809 5.407 5.569 -8.156 1.00 0.00 WT3 H ATOM 41910 H2 TIP3 4809 5.897 3.953 -10.149 1.00 0.00 WT3 H ATOM 41911 OH2 TIP3 4814 7.525 9.804 1.675 1.00 0.00 WT3 O ATOM 41912 H1 TIP3 4814 -8.487 20.949 4.504 1.00 0.00 WT3 H ATOM 41913 H2 TIP3 4814 5.496 5.328 4.322 1.00 0.00 WT3 H ATOM 41914 OH2 TIP3 4834 0.808 1.907 -5.524 1.00 0.00 WT3 O ATOM 41915 H1 TIP3 4834 -0.189 4.501 -9.327 1.00 0.00 WT3 H ATOM 41916 H2 TIP3 4834 -0.676 5.369 -14.834 1.00 0.00 WT3 H ATOM 41917 OH2 TIP3 4835 3.906 1.923 0.792 1.00 0.00 WT3 O ATOM 41918 H1 TIP3 4835 21.155 5.674 13.900 1.00 0.00 WT3 H ATOM 41919 H2 TIP3 4835 4.615 8.088 7.098 1.00 0.00 WT3 H ATOM 41920 OH2 TIP3 4836 -0.963 -2.128 -3.068 1.00 0.00 WT3 O ATOM 41921 H1 TIP3 4836 -0.084 10.155 -20.939 1.00 0.00 WT3 H ATOM 41922 H2 TIP3 4836 -6.689 -15.674 5.973 1.00 0.00 WT3 H ATOM 41923 OH2 TIP3 4844 -2.175 3.776 -1.897 1.00 0.00 WT3 O ATOM 41924 H1 TIP3 4844 6.058 9.909 8.276 1.00 0.00 WT3 H ATOM 41925 H2 TIP3 4844 5.217 7.323 5.783 1.00 0.00 WT3 H ATOM 41926 OH2 TIP3 4845 -2.211 3.331 0.843 1.00 0.00 WT3 O ATOM 41927 H1 TIP3 4845 23.948 13.926 6.893 1.00 0.00 WT3 H ATOM 41928 H2 TIP3 4845 -1.387 -13.549 -15.503 1.00 0.00 WT3 H ATOM 41929 OH2 TIP3 4847 -4.546 -3.267 -1.060 1.00 0.00 WT3 O ATOM 41930 H1 TIP3 4847 -13.913 5.222 5.557 1.00 0.00 WT3 H ATOM 41931 H2 TIP3 4847 -5.627 24.320 -9.680 1.00 0.00 WT3 H ATOM 41932 OH2 TIP3 4849 -0.561 5.978 0.829 1.00 0.00 WT3 O ATOM 41933 H1 TIP3 4849 -18.363 -28.770 -20.327 1.00 0.00 WT3 H ATOM 41934 H2 TIP3 4849 -1.221 21.473 -8.927 1.00 0.00 WT3 H ATOM 41935 OH2 TIP3 4851 -3.168 3.532 1.013 1.00 0.00 WT3 O ATOM 41936 H1 TIP3 4851 15.381 -1.375 -13.825 1.00 0.00 WT3 H ATOM 41937 H2 TIP3 4851 18.855 -15.218 19.816 1.00 0.00 WT3 H ATOM 41938 OH2 TIP3 4853 8.119 -0.335 0.367 1.00 0.00 WT3 O ATOM 41939 H1 TIP3 4853 -2.316 6.746 10.706 1.00 0.00 WT3 H ATOM 41940 H2 TIP3 4853 -5.145 12.483 23.278 1.00 0.00 WT3 H ATOM 41941 OH2 TIP3 4855 0.429 0.124 -2.195 1.00 0.00 WT3 O ATOM 41942 H1 TIP3 4855 -8.232 -9.951 -5.792 1.00 0.00 WT3 H ATOM 41943 H2 TIP3 4855 -6.189 7.257 -0.321 1.00 0.00 WT3 H ATOM 41944 OH2 TIP3 4857 0.213 -2.843 -1.041 1.00 0.00 WT3 O ATOM 41945 H1 TIP3 4857 -31.918 11.255 12.114 1.00 0.00 WT3 H ATOM 41946 H2 TIP3 4857 -10.501 9.579 -6.199 1.00 0.00 WT3 H ATOM 41947 OH2 TIP3 4863 -0.719 -1.382 -0.610 1.00 0.00 WT3 O ATOM 41948 H1 TIP3 4863 -7.573 21.314 7.582 1.00 0.00 WT3 H ATOM 41949 H2 TIP3 4863 7.978 -34.930 11.349 1.00 0.00 WT3 H ATOM 41950 OH2 TIP3 4864 -6.169 7.535 -0.231 1.00 0.00 WT3 O ATOM 41951 H1 TIP3 4864 7.788 0.991 22.259 1.00 0.00 WT3 H ATOM 41952 H2 TIP3 4864 -1.134 1.015 10.257 1.00 0.00 WT3 H ATOM 41953 OH2 TIP3 4870 3.725 4.408 0.107 1.00 0.00 WT3 O ATOM 41954 H1 TIP3 4870 11.196 15.307 -8.631 1.00 0.00 WT3 H ATOM 41955 H2 TIP3 4870 -5.202 6.375 0.156 1.00 0.00 WT3 H ATOM 41956 OH2 TIP3 4872 6.713 -1.550 1.658 1.00 0.00 WT3 O ATOM 41957 H1 TIP3 4872 7.454 -24.118 -30.152 1.00 0.00 WT3 H ATOM 41958 H2 TIP3 4872 -16.398 12.798 -9.463 1.00 0.00 WT3 H ATOM 41959 OH2 TIP3 4873 -1.260 -2.550 -3.802 1.00 0.00 WT3 O ATOM 41960 H1 TIP3 4873 -0.239 -1.385 -8.989 1.00 0.00 WT3 H ATOM 41961 H2 TIP3 4873 21.123 28.590 -25.448 1.00 0.00 WT3 H ATOM 41962 OH2 TIP3 4875 6.939 -2.844 2.230 1.00 0.00 WT3 O ATOM 41963 H1 TIP3 4875 17.182 -7.429 -6.394 1.00 0.00 WT3 H ATOM 41964 H2 TIP3 4875 -0.664 -13.157 4.606 1.00 0.00 WT3 H ATOM 41965 OH2 TIP3 4877 -0.781 2.734 4.389 1.00 0.00 WT3 O ATOM 41966 H1 TIP3 4877 -0.176 4.522 -2.246 1.00 0.00 WT3 H ATOM 41967 H2 TIP3 4877 13.393 16.490 -2.139 1.00 0.00 WT3 H ATOM 41968 OH2 TIP3 4881 -4.497 4.235 -3.353 1.00 0.00 WT3 O ATOM 41969 H1 TIP3 4881 11.115 -5.823 -18.884 1.00 0.00 WT3 H ATOM 41970 H2 TIP3 4881 -6.535 7.967 -0.651 1.00 0.00 WT3 H ATOM 41971 OH2 TIP3 4888 1.654 1.559 -2.090 1.00 0.00 WT3 O ATOM 41972 H1 TIP3 4888 -17.927 1.320 -6.831 1.00 0.00 WT3 H ATOM 41973 H2 TIP3 4888 3.569 3.268 5.831 1.00 0.00 WT3 H ATOM 41974 OH2 TIP3 4893 12.309 5.012 -1.536 1.00 0.00 WT3 O ATOM 41975 H1 TIP3 4893 2.191 8.352 -3.070 1.00 0.00 WT3 H ATOM 41976 H2 TIP3 4893 -17.937 34.029 -11.475 1.00 0.00 WT3 H ATOM 41977 OH2 TIP3 4894 2.734 -2.770 1.577 1.00 0.00 WT3 O ATOM 41978 H1 TIP3 4894 16.053 -23.713 11.390 1.00 0.00 WT3 H ATOM 41979 H2 TIP3 4894 -20.908 -17.247 0.123 1.00 0.00 WT3 H ATOM 41980 OH2 TIP3 4895 0.554 0.942 -2.923 1.00 0.00 WT3 O ATOM 41981 H1 TIP3 4895 -5.759 13.774 -18.400 1.00 0.00 WT3 H ATOM 41982 H2 TIP3 4895 -4.617 -11.907 -9.276 1.00 0.00 WT3 H ATOM 41983 OH2 TIP3 4896 -3.231 -2.404 -1.602 1.00 0.00 WT3 O ATOM 41984 H1 TIP3 4896 -1.398 -3.673 -3.475 1.00 0.00 WT3 H ATOM 41985 H2 TIP3 4896 0.579 -3.623 -7.043 1.00 0.00 WT3 H ATOM 41986 OH2 TIP3 4897 -4.179 7.558 -4.899 1.00 0.00 WT3 O ATOM 41987 H1 TIP3 4897 -13.657 11.234 -9.764 1.00 0.00 WT3 H ATOM 41988 H2 TIP3 4897 -0.881 9.642 -2.134 1.00 0.00 WT3 H ATOM 41989 OH2 TIP3 4898 6.362 3.930 -2.106 1.00 0.00 WT3 O ATOM 41990 H1 TIP3 4898 9.153 8.917 -9.169 1.00 0.00 WT3 H ATOM 41991 H2 TIP3 4898 10.180 10.983 -12.706 1.00 0.00 WT3 H ATOM 41992 OH2 TIP3 4899 -2.769 5.066 -5.280 1.00 0.00 WT3 O ATOM 41993 H1 TIP3 4899 45.818 5.067 2.353 1.00 0.00 WT3 H ATOM 41994 H2 TIP3 4899 12.734 4.866 -7.794 1.00 0.00 WT3 H ATOM 41995 OH2 TIP3 4902 -0.405 5.776 -1.582 1.00 0.00 WT3 O ATOM 41996 H1 TIP3 4902 0.719 9.562 -0.608 1.00 0.00 WT3 H ATOM 41997 H2 TIP3 4902 -1.913 9.133 2.834 1.00 0.00 WT3 H ATOM 41998 OH2 TIP3 4905 6.537 1.094 -2.961 1.00 0.00 WT3 O ATOM 41999 H1 TIP3 4905 -4.134 -10.666 8.801 1.00 0.00 WT3 H ATOM 42000 H2 TIP3 4905 -27.797 1.075 8.924 1.00 0.00 WT3 H ATOM 42001 OH2 TIP3 4906 -0.257 -2.072 2.150 1.00 0.00 WT3 O ATOM 42002 H1 TIP3 4906 -9.887 15.152 10.102 1.00 0.00 WT3 H ATOM 42003 H2 TIP3 4906 7.274 -17.683 -4.564 1.00 0.00 WT3 H ATOM 42004 OH2 TIP3 4909 5.031 -0.607 4.186 1.00 0.00 WT3 O ATOM 42005 H1 TIP3 4909 7.564 -10.703 -2.299 1.00 0.00 WT3 H ATOM 42006 H2 TIP3 4909 -15.616 -13.801 -5.926 1.00 0.00 WT3 H ATOM 42007 OH2 TIP3 4910 1.088 1.201 -6.678 1.00 0.00 WT3 O ATOM 42008 H1 TIP3 4910 -3.730 -10.829 4.494 1.00 0.00 WT3 H ATOM 42009 H2 TIP3 4910 -6.627 -11.499 2.345 1.00 0.00 WT3 H ATOM 42010 OH2 TIP3 4913 -5.308 0.345 1.797 1.00 0.00 WT3 O ATOM 42011 H1 TIP3 4913 -20.478 19.167 -14.490 1.00 0.00 WT3 H ATOM 42012 H2 TIP3 4913 -15.979 3.895 27.524 1.00 0.00 WT3 H ATOM 42013 OH2 TIP3 4914 3.092 1.908 -4.226 1.00 0.00 WT3 O ATOM 42014 H1 TIP3 4914 2.265 -15.341 -11.869 1.00 0.00 WT3 H ATOM 42015 H2 TIP3 4914 -7.887 3.234 5.456 1.00 0.00 WT3 H ATOM 42016 OH2 TIP3 4915 -1.523 6.828 6.992 1.00 0.00 WT3 O ATOM 42017 H1 TIP3 4915 -2.406 -19.931 -2.897 1.00 0.00 WT3 H ATOM 42018 H2 TIP3 4915 -2.725 -27.269 -5.666 1.00 0.00 WT3 H ATOM 42019 OH2 TIP3 4916 -5.421 10.927 -0.407 1.00 0.00 WT3 O ATOM 42020 H1 TIP3 4916 25.457 17.330 29.018 1.00 0.00 WT3 H ATOM 42021 H2 TIP3 4916 -5.622 -11.808 -1.222 1.00 0.00 WT3 H ATOM 42022 OH2 TIP3 4917 4.496 -4.946 -6.535 1.00 0.00 WT3 O ATOM 42023 H1 TIP3 4917 -8.076 -3.202 -15.806 1.00 0.00 WT3 H ATOM 42024 H2 TIP3 4917 23.737 0.387 -12.909 1.00 0.00 WT3 H ATOM 42025 OH2 TIP3 4919 0.346 -2.542 2.832 1.00 0.00 WT3 O ATOM 42026 H1 TIP3 4919 6.725 -7.542 4.861 1.00 0.00 WT3 H ATOM 42027 H2 TIP3 4919 11.954 -5.879 18.028 1.00 0.00 WT3 H ATOM 42028 OH2 TIP3 4920 -2.486 -2.262 2.525 1.00 0.00 WT3 O ATOM 42029 H1 TIP3 4920 5.129 -13.951 12.507 1.00 0.00 WT3 H ATOM 42030 H2 TIP3 4920 18.143 -3.402 -2.489 1.00 0.00 WT3 H ATOM 42031 OH2 TIP3 4922 -2.674 -0.789 -0.859 1.00 0.00 WT3 O ATOM 42032 H1 TIP3 4922 0.366 0.753 -2.849 1.00 0.00 WT3 H ATOM 42033 H2 TIP3 4922 -4.263 3.980 -3.122 1.00 0.00 WT3 H ATOM 42034 OH2 TIP3 4924 -2.347 0.608 -4.712 1.00 0.00 WT3 O ATOM 42035 H1 TIP3 4924 -8.338 -0.049 -10.092 1.00 0.00 WT3 H ATOM 42036 H2 TIP3 4924 -5.432 -7.016 0.671 1.00 0.00 WT3 H ATOM 42037 OH2 TIP3 4928 -5.549 -2.166 0.525 1.00 0.00 WT3 O ATOM 42038 H1 TIP3 4928 -6.881 10.028 -6.795 1.00 0.00 WT3 H ATOM 42039 H2 TIP3 4928 -8.307 8.732 8.371 1.00 0.00 WT3 H ATOM 42040 OH2 TIP3 4929 6.039 -0.324 2.543 1.00 0.00 WT3 O ATOM 42041 H1 TIP3 4929 8.841 -7.299 5.598 1.00 0.00 WT3 H ATOM 42042 H2 TIP3 4929 -17.771 -15.943 -4.005 1.00 0.00 WT3 H ATOM 42043 OH2 TIP3 4931 0.180 -1.046 -0.318 1.00 0.00 WT3 O ATOM 42044 H1 TIP3 4931 5.326 -9.412 -14.771 1.00 0.00 WT3 H ATOM 42045 H2 TIP3 4931 -8.972 -11.431 15.722 1.00 0.00 WT3 H ATOM 42046 OH2 TIP3 4933 -7.044 0.343 -1.916 1.00 0.00 WT3 O ATOM 42047 H1 TIP3 4933 -8.007 -0.306 -18.581 1.00 0.00 WT3 H ATOM 42048 H2 TIP3 4933 2.048 12.324 -1.791 1.00 0.00 WT3 H ATOM 42049 OH2 TIP3 4934 0.894 7.051 2.478 1.00 0.00 WT3 O ATOM 42050 H1 TIP3 4934 -4.974 -14.160 -15.148 1.00 0.00 WT3 H ATOM 42051 H2 TIP3 4934 -1.617 -1.026 -6.914 1.00 0.00 WT3 H ATOM 42052 OH2 TIP3 4935 -0.752 3.945 -3.206 1.00 0.00 WT3 O ATOM 42053 H1 TIP3 4935 10.521 -16.327 -4.130 1.00 0.00 WT3 H ATOM 42054 H2 TIP3 4935 0.743 6.058 -4.530 1.00 0.00 WT3 H ATOM 42055 OH2 TIP3 4936 6.100 -1.413 -2.118 1.00 0.00 WT3 O ATOM 42056 H1 TIP3 4936 4.129 -2.532 0.210 1.00 0.00 WT3 H ATOM 42057 H2 TIP3 4936 5.407 -3.227 -2.007 1.00 0.00 WT3 H ATOM 42058 OH2 TIP3 4937 0.231 -4.451 1.843 1.00 0.00 WT3 O ATOM 42059 H1 TIP3 4937 5.287 8.782 -12.168 1.00 0.00 WT3 H ATOM 42060 H2 TIP3 4937 -1.426 -2.074 -0.230 1.00 0.00 WT3 H ATOM 42061 OH2 TIP3 4938 1.966 -1.533 -2.712 1.00 0.00 WT3 O ATOM 42062 H1 TIP3 4938 9.330 -6.081 -1.299 1.00 0.00 WT3 H ATOM 42063 H2 TIP3 4938 -2.142 0.256 -4.216 1.00 0.00 WT3 H ATOM 42064 OH2 TIP3 4939 -8.098 -3.467 1.068 1.00 0.00 WT3 O ATOM 42065 H1 TIP3 4939 0.121 -12.123 7.975 1.00 0.00 WT3 H ATOM 42066 H2 TIP3 4939 -4.757 -1.720 1.680 1.00 0.00 WT3 H ATOM 42067 OH2 TIP3 4940 2.359 -3.219 -8.541 1.00 0.00 WT3 O ATOM 42068 H1 TIP3 4940 7.983 -9.273 -19.603 1.00 0.00 WT3 H ATOM 42069 H2 TIP3 4940 7.872 1.416 0.384 1.00 0.00 WT3 H ATOM 42070 OH2 TIP3 4942 1.469 -2.327 -6.768 1.00 0.00 WT3 O ATOM 42071 H1 TIP3 4942 -10.079 19.382 -29.460 1.00 0.00 WT3 H ATOM 42072 H2 TIP3 4942 24.068 16.479 11.580 1.00 0.00 WT3 H ATOM 42073 OH2 TIP3 4943 -7.583 9.189 -0.682 1.00 0.00 WT3 O ATOM 42074 H1 TIP3 4943 2.171 8.721 -16.038 1.00 0.00 WT3 H ATOM 42075 H2 TIP3 4943 -15.457 -6.126 -7.811 1.00 0.00 WT3 H ATOM 42076 OH2 TIP3 4944 -1.450 0.336 4.643 1.00 0.00 WT3 O ATOM 42077 H1 TIP3 4944 -6.853 -13.678 -7.451 1.00 0.00 WT3 H ATOM 42078 H2 TIP3 4944 -2.696 -5.818 -1.555 1.00 0.00 WT3 H ATOM 42079 OH2 TIP3 4945 2.218 6.303 -8.070 1.00 0.00 WT3 O ATOM 42080 H1 TIP3 4945 -8.173 9.307 8.440 1.00 0.00 WT3 H ATOM 42081 H2 TIP3 4945 -9.926 10.107 3.400 1.00 0.00 WT3 H ATOM 42082 OH2 TIP3 4946 0.198 -3.948 -0.809 1.00 0.00 WT3 O ATOM 42083 H1 TIP3 4946 -11.394 19.169 -7.190 1.00 0.00 WT3 H ATOM 42084 H2 TIP3 4946 -9.633 3.700 1.087 1.00 0.00 WT3 H ATOM 42085 OH2 TIP3 4949 -0.253 -1.279 1.124 1.00 0.00 WT3 O ATOM 42086 H1 TIP3 4949 -17.834 -3.608 -3.382 1.00 0.00 WT3 H ATOM 42087 H2 TIP3 4949 0.455 0.813 14.990 1.00 0.00 WT3 H ATOM 42088 OH2 TIP3 4950 -0.111 0.790 -4.047 1.00 0.00 WT3 O ATOM 42089 H1 TIP3 4950 -12.176 -8.395 15.908 1.00 0.00 WT3 H ATOM 42090 H2 TIP3 4950 22.807 -3.756 1.985 1.00 0.00 WT3 H ATOM 42091 OH2 TIP3 4953 0.945 -3.037 0.507 1.00 0.00 WT3 O ATOM 42092 H1 TIP3 4953 13.593 -7.842 -9.286 1.00 0.00 WT3 H ATOM 42093 H2 TIP3 4953 18.347 8.119 -2.774 1.00 0.00 WT3 H ATOM 42094 OH2 TIP3 4954 1.264 -8.249 0.335 1.00 0.00 WT3 O ATOM 42095 H1 TIP3 4954 10.714 -12.174 -2.322 1.00 0.00 WT3 H ATOM 42096 H2 TIP3 4954 1.606 -5.871 10.638 1.00 0.00 WT3 H ATOM 42097 OH2 TIP3 4955 -0.625 -1.751 -2.644 1.00 0.00 WT3 O ATOM 42098 H1 TIP3 4955 -5.535 10.911 16.312 1.00 0.00 WT3 H ATOM 42099 H2 TIP3 4955 13.940 -7.159 -1.879 1.00 0.00 WT3 H ATOM 42100 OH2 TIP3 4956 -5.850 -1.343 -1.309 1.00 0.00 WT3 O ATOM 42101 H1 TIP3 4956 -2.374 0.576 10.002 1.00 0.00 WT3 H ATOM 42102 H2 TIP3 4956 -5.660 3.728 -2.566 1.00 0.00 WT3 H ATOM 42103 OH2 TIP3 4957 3.258 0.133 -6.694 1.00 0.00 WT3 O ATOM 42104 H1 TIP3 4957 -0.499 -15.802 9.342 1.00 0.00 WT3 H ATOM 42105 H2 TIP3 4957 0.944 4.895 -30.854 1.00 0.00 WT3 H ATOM 42106 OH2 TIP3 4958 -3.175 3.785 3.740 1.00 0.00 WT3 O ATOM 42107 H1 TIP3 4958 -2.400 -13.328 8.931 1.00 0.00 WT3 H ATOM 42108 H2 TIP3 4958 -2.867 5.453 -12.500 1.00 0.00 WT3 H ATOM 42109 OH2 TIP3 4959 -5.412 -6.574 0.249 1.00 0.00 WT3 O ATOM 42110 H1 TIP3 4959 -4.886 -15.178 12.397 1.00 0.00 WT3 H ATOM 42111 H2 TIP3 4959 -8.698 6.979 13.683 1.00 0.00 WT3 H ATOM 42112 OH2 TIP3 4960 5.381 -1.039 3.164 1.00 0.00 WT3 O ATOM 42113 H1 TIP3 4960 20.032 18.252 -3.512 1.00 0.00 WT3 H ATOM 42114 H2 TIP3 4960 20.331 -10.840 14.551 1.00 0.00 WT3 H ATOM 42115 OH2 TIP3 4961 2.650 0.815 -1.601 1.00 0.00 WT3 O ATOM 42116 H1 TIP3 4961 22.400 -8.258 -4.436 1.00 0.00 WT3 H ATOM 42117 H2 TIP3 4961 -7.627 10.449 -4.708 1.00 0.00 WT3 H ATOM 42118 OH2 TIP3 4962 1.694 0.991 1.645 1.00 0.00 WT3 O ATOM 42119 H1 TIP3 4962 -25.391 11.351 -18.668 1.00 0.00 WT3 H ATOM 42120 H2 TIP3 4962 -19.439 -23.236 -9.031 1.00 0.00 WT3 H ATOM 42121 OH2 TIP3 4963 -3.337 -2.388 -2.258 1.00 0.00 WT3 O ATOM 42122 H1 TIP3 4963 -14.311 3.608 -5.875 1.00 0.00 WT3 H ATOM 42123 H2 TIP3 4963 11.669 -3.498 3.825 1.00 0.00 WT3 H ATOM 42124 OH2 TIP3 4964 0.618 3.273 -2.285 1.00 0.00 WT3 O ATOM 42125 H1 TIP3 4964 -3.449 34.158 13.695 1.00 0.00 WT3 H ATOM 42126 H2 TIP3 4964 5.778 -11.516 21.447 1.00 0.00 WT3 H ATOM 42127 OH2 TIP3 4965 3.839 -0.870 -11.432 1.00 0.00 WT3 O ATOM 42128 H1 TIP3 4965 6.816 -13.662 -16.385 1.00 0.00 WT3 H ATOM 42129 H2 TIP3 4965 1.680 -1.894 -15.861 1.00 0.00 WT3 H ATOM 42130 OH2 TIP3 4967 6.051 -2.775 1.445 1.00 0.00 WT3 O ATOM 42131 H1 TIP3 4967 -2.092 3.000 9.069 1.00 0.00 WT3 H ATOM 42132 H2 TIP3 4967 -8.084 13.097 11.859 1.00 0.00 WT3 H ATOM 42133 OH2 TIP3 4968 -0.515 -3.394 3.869 1.00 0.00 WT3 O ATOM 42134 H1 TIP3 4968 -4.865 -2.141 2.809 1.00 0.00 WT3 H ATOM 42135 H2 TIP3 4968 -11.105 8.256 11.056 1.00 0.00 WT3 H ATOM 42136 OH2 TIP3 4970 3.861 3.617 -3.606 1.00 0.00 WT3 O ATOM 42137 H1 TIP3 4970 -7.494 -10.111 -12.797 1.00 0.00 WT3 H ATOM 42138 H2 TIP3 4970 8.899 -8.789 -10.587 1.00 0.00 WT3 H ATOM 42139 OH2 TIP3 4971 -1.090 11.957 7.337 1.00 0.00 WT3 O ATOM 42140 H1 TIP3 4971 -27.218 -0.772 -13.127 1.00 0.00 WT3 H ATOM 42141 H2 TIP3 4971 -24.477 4.944 -9.491 1.00 0.00 WT3 H ATOM 42142 OH2 TIP3 4972 -4.564 4.748 0.233 1.00 0.00 WT3 O ATOM 42143 H1 TIP3 4972 11.742 -6.778 13.766 1.00 0.00 WT3 H ATOM 42144 H2 TIP3 4972 -6.598 0.355 -3.671 1.00 0.00 WT3 H ATOM 42145 OH2 TIP3 4973 -3.539 -7.938 1.533 1.00 0.00 WT3 O ATOM 42146 H1 TIP3 4973 -1.083 2.113 -15.568 1.00 0.00 WT3 H ATOM 42147 H2 TIP3 4973 16.346 -16.254 5.399 1.00 0.00 WT3 H ATOM 42148 OH2 TIP3 4974 2.382 -3.066 -1.847 1.00 0.00 WT3 O ATOM 42149 H1 TIP3 4974 11.355 -2.435 8.981 1.00 0.00 WT3 H ATOM 42150 H2 TIP3 4974 9.839 0.692 -16.171 1.00 0.00 WT3 H ATOM 42151 OH2 TIP3 4975 -4.001 -0.347 3.570 1.00 0.00 WT3 O ATOM 42152 H1 TIP3 4975 -1.507 1.650 2.808 1.00 0.00 WT3 H ATOM 42153 H2 TIP3 4975 -4.393 -1.329 0.584 1.00 0.00 WT3 H ATOM 42154 OH2 TIP3 4976 0.044 3.233 -5.614 1.00 0.00 WT3 O ATOM 42155 H1 TIP3 4976 5.149 -3.073 -18.349 1.00 0.00 WT3 H ATOM 42156 H2 TIP3 4976 -4.382 4.322 9.616 1.00 0.00 WT3 H ATOM 42157 OH2 TIP3 4977 4.808 5.124 3.809 1.00 0.00 WT3 O ATOM 42158 H1 TIP3 4977 17.997 -0.373 -18.323 1.00 0.00 WT3 H ATOM 42159 H2 TIP3 4977 -3.827 4.346 27.918 1.00 0.00 WT3 H ATOM 42160 OH2 TIP3 4978 -4.079 -3.197 0.034 1.00 0.00 WT3 O ATOM 42161 H1 TIP3 4978 -3.673 2.468 3.339 1.00 0.00 WT3 H ATOM 42162 H2 TIP3 4978 20.526 -15.339 10.937 1.00 0.00 WT3 H ATOM 42163 OH2 TIP3 4979 -1.714 -2.950 -0.683 1.00 0.00 WT3 O ATOM 42164 H1 TIP3 4979 4.562 -18.307 10.775 1.00 0.00 WT3 H ATOM 42165 H2 TIP3 4979 4.934 -11.892 -20.312 1.00 0.00 WT3 H ATOM 42166 OH2 TIP3 4980 -0.192 4.649 4.597 1.00 0.00 WT3 O ATOM 42167 H1 TIP3 4980 19.573 -1.669 -7.450 1.00 0.00 WT3 H ATOM 42168 H2 TIP3 4980 -16.306 9.471 -6.277 1.00 0.00 WT3 H ATOM 42169 OH2 TIP3 4981 1.684 2.401 -9.808 1.00 0.00 WT3 O ATOM 42170 H1 TIP3 4981 4.047 19.554 9.915 1.00 0.00 WT3 H ATOM 42171 H2 TIP3 4981 -5.790 3.056 -14.777 1.00 0.00 WT3 H ATOM 42172 OH2 TIP3 4982 -3.520 3.212 -0.127 1.00 0.00 WT3 O ATOM 42173 H1 TIP3 4982 -10.906 -2.097 3.225 1.00 0.00 WT3 H ATOM 42174 H2 TIP3 4982 -3.548 1.114 -7.360 1.00 0.00 WT3 H ATOM 42175 OH2 TIP3 4983 -0.640 -0.693 1.541 1.00 0.00 WT3 O ATOM 42176 H1 TIP3 4983 1.416 4.183 -2.988 1.00 0.00 WT3 H ATOM 42177 H2 TIP3 4983 -8.988 19.254 -20.655 1.00 0.00 WT3 H ATOM 42178 OH2 TIP3 4985 -0.608 8.011 -1.280 1.00 0.00 WT3 O ATOM 42179 H1 TIP3 4985 -5.368 0.600 -23.358 1.00 0.00 WT3 H ATOM 42180 H2 TIP3 4985 -15.941 22.357 4.980 1.00 0.00 WT3 H ATOM 42181 OH2 TIP3 4987 3.482 4.491 2.417 1.00 0.00 WT3 O ATOM 42182 H1 TIP3 4987 -0.542 19.146 2.646 1.00 0.00 WT3 H ATOM 42183 H2 TIP3 4987 3.306 -6.798 -5.890 1.00 0.00 WT3 H ATOM 42184 OH2 TIP3 4989 -1.438 -3.093 0.391 1.00 0.00 WT3 O ATOM 42185 H1 TIP3 4989 -3.825 11.318 -1.788 1.00 0.00 WT3 H ATOM 42186 H2 TIP3 4989 -15.093 29.681 -3.342 1.00 0.00 WT3 H ATOM 42187 OH2 TIP3 4991 -3.670 -3.121 2.500 1.00 0.00 WT3 O ATOM 42188 H1 TIP3 4991 2.518 17.980 -0.993 1.00 0.00 WT3 H ATOM 42189 H2 TIP3 4991 18.219 -14.613 3.381 1.00 0.00 WT3 H ATOM 42190 OH2 TIP3 4994 2.719 1.279 -6.559 1.00 0.00 WT3 O ATOM 42191 H1 TIP3 4994 11.686 -6.048 -14.857 1.00 0.00 WT3 H ATOM 42192 H2 TIP3 4994 -1.050 -23.486 4.307 1.00 0.00 WT3 H ATOM 42193 OH2 TIP3 4995 3.417 2.556 -1.589 1.00 0.00 WT3 O ATOM 42194 H1 TIP3 4995 10.473 11.243 -15.398 1.00 0.00 WT3 H ATOM 42195 H2 TIP3 4995 -10.256 18.500 28.925 1.00 0.00 WT3 H ATOM 42196 OH2 TIP3 4996 2.917 -4.933 2.114 1.00 0.00 WT3 O ATOM 42197 H1 TIP3 4996 16.526 4.149 -11.362 1.00 0.00 WT3 H ATOM 42198 H2 TIP3 4996 -2.979 -9.521 7.524 1.00 0.00 WT3 H ATOM 42199 OH2 TIP3 4998 -2.491 0.604 -0.660 1.00 0.00 WT3 O ATOM 42200 H1 TIP3 4998 -11.966 14.676 6.991 1.00 0.00 WT3 H ATOM 42201 H2 TIP3 4998 6.313 -10.876 -5.275 1.00 0.00 WT3 H ATOM 42202 OH2 TIP3 4999 -0.701 1.563 -1.455 1.00 0.00 WT3 O ATOM 42203 H1 TIP3 4999 -4.280 10.956 -9.768 1.00 0.00 WT3 H ATOM 42204 H2 TIP3 4999 6.727 -0.996 -16.348 1.00 0.00 WT3 H ATOM 42205 OH2 TIP3 5000 -6.172 0.795 -3.004 1.00 0.00 WT3 O ATOM 42206 H1 TIP3 5000 -4.477 -0.063 -0.770 1.00 0.00 WT3 H ATOM 42207 H2 TIP3 5000 -7.458 0.356 -5.614 1.00 0.00 WT3 H ATOM 42208 OH2 TIP3 5001 0.896 -3.871 1.544 1.00 0.00 WT3 O ATOM 42209 H1 TIP3 5001 1.796 -18.891 1.274 1.00 0.00 WT3 H ATOM 42210 H2 TIP3 5001 8.045 0.345 -3.572 1.00 0.00 WT3 H ATOM 42211 OH2 TIP3 5002 -3.656 -4.245 -0.152 1.00 0.00 WT3 O ATOM 42212 H1 TIP3 5002 -7.805 -2.490 -1.407 1.00 0.00 WT3 H ATOM 42213 H2 TIP3 5002 -37.651 -9.577 1.316 1.00 0.00 WT3 H ATOM 42214 OH2 TIP3 5003 -0.320 -0.350 1.741 1.00 0.00 WT3 O ATOM 42215 H1 TIP3 5003 8.366 8.766 12.454 1.00 0.00 WT3 H ATOM 42216 H2 TIP3 5003 -11.174 -5.060 -4.789 1.00 0.00 WT3 H ATOM 42217 OH2 TIP3 5004 -5.038 3.717 -2.385 1.00 0.00 WT3 O ATOM 42218 H1 TIP3 5004 18.624 -8.093 12.735 1.00 0.00 WT3 H ATOM 42219 H2 TIP3 5004 -11.147 -14.821 -25.406 1.00 0.00 WT3 H ATOM 42220 OH2 TIP3 5005 0.045 -6.706 -1.442 1.00 0.00 WT3 O ATOM 42221 H1 TIP3 5005 -4.010 -15.967 -29.420 1.00 0.00 WT3 H ATOM 42222 H2 TIP3 5005 -2.489 -15.567 -11.640 1.00 0.00 WT3 H ATOM 42223 OH2 TIP3 5006 9.868 -3.973 -4.521 1.00 0.00 WT3 O ATOM 42224 H1 TIP3 5006 24.855 15.577 -9.485 1.00 0.00 WT3 H ATOM 42225 H2 TIP3 5006 -4.304 -13.970 -5.528 1.00 0.00 WT3 H ATOM 42226 OH2 TIP3 5007 2.461 -0.922 8.654 1.00 0.00 WT3 O ATOM 42227 H1 TIP3 5007 13.286 17.324 8.371 1.00 0.00 WT3 H ATOM 42228 H2 TIP3 5007 -28.568 8.731 -16.053 1.00 0.00 WT3 H ATOM 42229 OH2 TIP3 5008 1.112 0.067 1.197 1.00 0.00 WT3 O ATOM 42230 H1 TIP3 5008 1.571 -2.317 5.036 1.00 0.00 WT3 H ATOM 42231 H2 TIP3 5008 -4.050 -1.497 -7.989 1.00 0.00 WT3 H ATOM 42232 OH2 TIP3 5009 -1.563 -4.843 5.809 1.00 0.00 WT3 O ATOM 42233 H1 TIP3 5009 7.131 -3.756 -3.752 1.00 0.00 WT3 H ATOM 42234 H2 TIP3 5009 -11.475 -11.999 -6.215 1.00 0.00 WT3 H ATOM 42235 OH2 TIP3 5010 0.311 -2.214 0.995 1.00 0.00 WT3 O ATOM 42236 H1 TIP3 5010 2.106 3.530 -8.730 1.00 0.00 WT3 H ATOM 42237 H2 TIP3 5010 -5.773 -12.923 2.817 1.00 0.00 WT3 H ATOM 42238 OH2 TIP3 5011 1.482 2.708 -3.881 1.00 0.00 WT3 O ATOM 42239 H1 TIP3 5011 -0.222 10.458 -11.287 1.00 0.00 WT3 H ATOM 42240 H2 TIP3 5011 -5.674 -11.310 -5.946 1.00 0.00 WT3 H ATOM 42241 OH2 TIP3 5012 3.642 0.233 -2.037 1.00 0.00 WT3 O ATOM 42242 H1 TIP3 5012 -3.109 -1.686 -9.066 1.00 0.00 WT3 H ATOM 42243 H2 TIP3 5012 16.200 -4.134 -9.148 1.00 0.00 WT3 H ATOM 42244 OH2 TIP3 5013 -2.565 -2.173 -3.509 1.00 0.00 WT3 O ATOM 42245 H1 TIP3 5013 12.989 -12.993 -11.730 1.00 0.00 WT3 H ATOM 42246 H2 TIP3 5013 -9.398 -7.970 -2.081 1.00 0.00 WT3 H ATOM 42247 OH2 TIP3 5014 -3.617 0.966 6.853 1.00 0.00 WT3 O ATOM 42248 H1 TIP3 5014 -17.086 19.860 -17.200 1.00 0.00 WT3 H ATOM 42249 H2 TIP3 5014 -4.755 -2.925 -9.860 1.00 0.00 WT3 H ATOM 42250 OH2 TIP3 5015 -3.428 -3.737 -5.136 1.00 0.00 WT3 O ATOM 42251 H1 TIP3 5015 -4.392 -15.789 -2.053 1.00 0.00 WT3 H ATOM 42252 H2 TIP3 5015 -0.288 13.835 -14.996 1.00 0.00 WT3 H ATOM 42253 OH2 TIP3 5016 1.565 -3.987 -3.103 1.00 0.00 WT3 O ATOM 42254 H1 TIP3 5016 5.943 0.500 2.697 1.00 0.00 WT3 H ATOM 42255 H2 TIP3 5016 10.755 1.173 -10.387 1.00 0.00 WT3 H ATOM 42256 OH2 TIP3 5017 -1.467 -8.338 -2.015 1.00 0.00 WT3 O ATOM 42257 H1 TIP3 5017 -0.722 5.656 3.696 1.00 0.00 WT3 H ATOM 42258 H2 TIP3 5017 15.196 -1.429 -17.858 1.00 0.00 WT3 H ATOM 42259 OH2 TIP3 5018 -1.442 4.533 3.156 1.00 0.00 WT3 O ATOM 42260 H1 TIP3 5018 -1.000 9.234 4.879 1.00 0.00 WT3 H ATOM 42261 H2 TIP3 5018 -6.773 4.210 6.137 1.00 0.00 WT3 H ATOM 42262 OH2 TIP3 5019 -3.155 1.643 1.698 1.00 0.00 WT3 O ATOM 42263 H1 TIP3 5019 -6.242 8.989 -12.777 1.00 0.00 WT3 H ATOM 42264 H2 TIP3 5019 7.549 -22.397 11.353 1.00 0.00 WT3 H ATOM 42265 OH2 TIP3 5020 2.931 1.003 6.570 1.00 0.00 WT3 O ATOM 42266 H1 TIP3 5020 -4.497 14.882 14.692 1.00 0.00 WT3 H ATOM 42267 H2 TIP3 5020 17.638 -5.038 -4.036 1.00 0.00 WT3 H ATOM 42268 OH2 TIP3 5021 1.148 -9.637 -5.409 1.00 0.00 WT3 O ATOM 42269 H1 TIP3 5021 7.581 2.595 3.648 1.00 0.00 WT3 H ATOM 42270 H2 TIP3 5021 7.357 -7.041 -18.591 1.00 0.00 WT3 H ATOM 42271 OH2 TIP3 5022 3.106 5.598 6.619 1.00 0.00 WT3 O ATOM 42272 H1 TIP3 5022 -4.091 -14.759 16.750 1.00 0.00 WT3 H ATOM 42273 H2 TIP3 5022 -20.692 14.394 -10.927 1.00 0.00 WT3 H ATOM 42274 OH2 TIP3 5023 0.959 -2.863 3.850 1.00 0.00 WT3 O ATOM 42275 H1 TIP3 5023 2.751 -11.330 5.469 1.00 0.00 WT3 H ATOM 42276 H2 TIP3 5023 31.884 -13.166 -1.362 1.00 0.00 WT3 H ATOM 42277 OH2 TIP3 5024 1.034 4.672 -3.423 1.00 0.00 WT3 O ATOM 42278 H1 TIP3 5024 14.386 11.518 -15.756 1.00 0.00 WT3 H ATOM 42279 H2 TIP3 5024 6.788 -4.219 2.029 1.00 0.00 WT3 H ATOM 42280 OH2 TIP3 5025 9.912 6.778 1.079 1.00 0.00 WT3 O ATOM 42281 H1 TIP3 5025 7.860 12.113 0.987 1.00 0.00 WT3 H ATOM 42282 H2 TIP3 5025 17.012 -13.870 2.082 1.00 0.00 WT3 H ATOM 42283 OH2 TIP3 5027 10.532 0.254 4.404 1.00 0.00 WT3 O ATOM 42284 H1 TIP3 5027 9.161 1.025 6.787 1.00 0.00 WT3 H ATOM 42285 H2 TIP3 5027 18.975 4.247 5.589 1.00 0.00 WT3 H ATOM 42286 OH2 TIP3 5031 2.803 2.151 0.520 1.00 0.00 WT3 O ATOM 42287 H1 TIP3 5031 -24.059 -12.339 -9.307 1.00 0.00 WT3 H ATOM 42288 H2 TIP3 5031 1.131 7.026 -6.585 1.00 0.00 WT3 H ATOM 42289 OH2 TIP3 5033 -3.519 4.792 -0.941 1.00 0.00 WT3 O ATOM 42290 H1 TIP3 5033 -10.874 20.694 -16.838 1.00 0.00 WT3 H ATOM 42291 H2 TIP3 5033 3.962 -11.983 15.875 1.00 0.00 WT3 H ATOM 42292 OH2 TIP3 5034 0.322 -3.576 3.512 1.00 0.00 WT3 O ATOM 42293 H1 TIP3 5034 17.876 -13.686 -16.321 1.00 0.00 WT3 H ATOM 42294 H2 TIP3 5034 8.557 -8.509 -6.125 1.00 0.00 WT3 H ATOM 42295 OH2 TIP3 5039 0.085 5.963 -1.850 1.00 0.00 WT3 O ATOM 42296 H1 TIP3 5039 9.431 16.183 30.196 1.00 0.00 WT3 H ATOM 42297 H2 TIP3 5039 10.414 17.658 36.878 1.00 0.00 WT3 H ATOM 42298 OH2 TIP3 5041 -3.399 6.384 2.576 1.00 0.00 WT3 O ATOM 42299 H1 TIP3 5041 5.729 -2.612 -14.118 1.00 0.00 WT3 H ATOM 42300 H2 TIP3 5041 7.972 -1.054 25.334 1.00 0.00 WT3 H ATOM 42301 OH2 TIP3 5043 -4.498 -1.662 1.796 1.00 0.00 WT3 O ATOM 42302 H1 TIP3 5043 -21.409 11.507 1.328 1.00 0.00 WT3 H ATOM 42303 H2 TIP3 5043 2.861 14.177 -4.712 1.00 0.00 WT3 H ATOM 42304 OH2 TIP3 5044 9.747 -3.884 -0.911 1.00 0.00 WT3 O ATOM 42305 H1 TIP3 5044 4.812 10.303 6.959 1.00 0.00 WT3 H ATOM 42306 H2 TIP3 5044 26.504 -6.121 -0.761 1.00 0.00 WT3 H ATOM 42307 OH2 TIP3 5046 3.350 0.909 0.327 1.00 0.00 WT3 O ATOM 42308 H1 TIP3 5046 3.461 -0.292 31.573 1.00 0.00 WT3 H ATOM 42309 H2 TIP3 5046 -5.920 12.394 9.640 1.00 0.00 WT3 H ATOM 42310 OH2 TIP3 5047 -1.961 2.255 -2.421 1.00 0.00 WT3 O ATOM 42311 H1 TIP3 5047 -7.018 -8.142 -9.607 1.00 0.00 WT3 H ATOM 42312 H2 TIP3 5047 -1.976 4.489 0.515 1.00 0.00 WT3 H ATOM 42313 OH2 TIP3 5048 0.108 -2.093 -7.276 1.00 0.00 WT3 O ATOM 42314 H1 TIP3 5048 -9.390 -17.555 -3.452 1.00 0.00 WT3 H ATOM 42315 H2 TIP3 5048 18.228 5.965 -10.209 1.00 0.00 WT3 H ATOM 42316 OH2 TIP3 5049 -6.074 0.879 0.368 1.00 0.00 WT3 O ATOM 42317 H1 TIP3 5049 -20.354 -1.972 -13.356 1.00 0.00 WT3 H ATOM 42318 H2 TIP3 5049 -13.401 -3.373 -9.174 1.00 0.00 WT3 H ATOM 42319 OH2 TIP3 5051 0.954 -1.854 -1.196 1.00 0.00 WT3 O ATOM 42320 H1 TIP3 5051 -0.326 4.759 7.107 1.00 0.00 WT3 H ATOM 42321 H2 TIP3 5051 -12.649 17.450 25.915 1.00 0.00 WT3 H ATOM 42322 OH2 TIP3 5052 -0.735 4.868 -7.779 1.00 0.00 WT3 O ATOM 42323 H1 TIP3 5052 -2.304 -11.723 5.770 1.00 0.00 WT3 H ATOM 42324 H2 TIP3 5052 3.091 -16.699 -10.942 1.00 0.00 WT3 H ATOM 42325 OH2 TIP3 5056 -0.229 4.637 -3.549 1.00 0.00 WT3 O ATOM 42326 H1 TIP3 5056 -3.188 24.382 7.141 1.00 0.00 WT3 H ATOM 42327 H2 TIP3 5056 6.104 -1.704 -9.912 1.00 0.00 WT3 H ATOM 42328 OH2 TIP3 5058 2.153 2.840 -2.990 1.00 0.00 WT3 O ATOM 42329 H1 TIP3 5058 3.518 1.916 16.684 1.00 0.00 WT3 H ATOM 42330 H2 TIP3 5058 0.557 -0.431 9.917 1.00 0.00 WT3 H ATOM 42331 OH2 TIP3 5059 -0.810 -1.660 -0.049 1.00 0.00 WT3 O ATOM 42332 H1 TIP3 5059 -24.521 11.839 -3.289 1.00 0.00 WT3 H ATOM 42333 H2 TIP3 5059 5.283 -15.581 10.246 1.00 0.00 WT3 H ATOM 42334 OH2 TIP3 5060 -0.075 3.771 -1.196 1.00 0.00 WT3 O ATOM 42335 H1 TIP3 5060 -12.940 20.570 7.340 1.00 0.00 WT3 H ATOM 42336 H2 TIP3 5060 -10.295 -15.180 9.756 1.00 0.00 WT3 H ATOM 42337 OH2 TIP3 5061 0.951 -2.704 -5.528 1.00 0.00 WT3 O ATOM 42338 H1 TIP3 5061 -7.747 -15.191 -13.957 1.00 0.00 WT3 H ATOM 42339 H2 TIP3 5061 33.048 3.569 -11.040 1.00 0.00 WT3 H ATOM 42340 OH2 TIP3 5063 -0.556 -3.867 0.283 1.00 0.00 WT3 O ATOM 42341 H1 TIP3 5063 -16.424 18.528 7.674 1.00 0.00 WT3 H ATOM 42342 H2 TIP3 5063 -21.762 15.300 9.411 1.00 0.00 WT3 H ATOM 42343 OH2 TIP3 5066 -1.405 5.832 2.184 1.00 0.00 WT3 O ATOM 42344 H1 TIP3 5066 9.413 -1.019 -13.435 1.00 0.00 WT3 H ATOM 42345 H2 TIP3 5066 -5.855 20.596 -0.325 1.00 0.00 WT3 H ATOM 42346 OH2 TIP3 5074 -1.342 -4.078 0.222 1.00 0.00 WT3 O ATOM 42347 H1 TIP3 5074 -20.763 4.416 -20.865 1.00 0.00 WT3 H ATOM 42348 H2 TIP3 5074 -12.018 -0.905 -9.764 1.00 0.00 WT3 H ATOM 42349 OH2 TIP3 5076 0.873 1.539 -4.800 1.00 0.00 WT3 O ATOM 42350 H1 TIP3 5076 -26.711 -4.063 5.236 1.00 0.00 WT3 H ATOM 42351 H2 TIP3 5076 -3.517 2.550 -10.613 1.00 0.00 WT3 H ATOM 42352 OH2 TIP3 5077 -7.318 -0.352 3.240 1.00 0.00 WT3 O ATOM 42353 H1 TIP3 5077 -10.953 -0.624 -3.018 1.00 0.00 WT3 H ATOM 42354 H2 TIP3 5077 -1.469 -7.057 -0.496 1.00 0.00 WT3 H ATOM 42355 OH2 TIP3 5080 5.350 -0.105 -1.927 1.00 0.00 WT3 O ATOM 42356 H1 TIP3 5080 16.543 -14.164 -11.477 1.00 0.00 WT3 H ATOM 42357 H2 TIP3 5080 6.727 13.691 3.226 1.00 0.00 WT3 H ATOM 42358 OH2 TIP3 5084 -1.814 2.623 2.925 1.00 0.00 WT3 O ATOM 42359 H1 TIP3 5084 4.092 -1.928 -6.637 1.00 0.00 WT3 H ATOM 42360 H2 TIP3 5084 -14.436 8.024 31.422 1.00 0.00 WT3 H ATOM 42361 OH2 TIP3 5085 9.045 -2.065 5.235 1.00 0.00 WT3 O ATOM 42362 H1 TIP3 5085 -7.532 -13.221 9.201 1.00 0.00 WT3 H ATOM 42363 H2 TIP3 5085 19.108 6.283 3.052 1.00 0.00 WT3 H ATOM 42364 OH2 TIP3 5088 3.346 -1.667 3.307 1.00 0.00 WT3 O ATOM 42365 H1 TIP3 5088 5.324 -5.315 -13.515 1.00 0.00 WT3 H ATOM 42366 H2 TIP3 5088 39.047 -7.409 -4.936 1.00 0.00 WT3 H ATOM 42367 OH2 TIP3 5092 9.048 4.670 4.932 1.00 0.00 WT3 O ATOM 42368 H1 TIP3 5092 -0.070 16.740 18.991 1.00 0.00 WT3 H ATOM 42369 H2 TIP3 5092 13.145 -1.120 -3.826 1.00 0.00 WT3 H ATOM 42370 OH2 TIP3 5094 3.294 13.893 -1.244 1.00 0.00 WT3 O ATOM 42371 H1 TIP3 5094 -1.176 12.289 -4.582 1.00 0.00 WT3 H ATOM 42372 H2 TIP3 5094 -15.445 -0.144 7.130 1.00 0.00 WT3 H ATOM 42373 OH2 TIP3 5098 -5.696 3.236 -5.406 1.00 0.00 WT3 O ATOM 42374 H1 TIP3 5098 -3.991 13.399 -10.857 1.00 0.00 WT3 H ATOM 42375 H2 TIP3 5098 17.791 16.784 1.145 1.00 0.00 WT3 H ATOM 42376 OH2 TIP3 5105 -4.234 -3.229 -0.519 1.00 0.00 WT3 O ATOM 42377 H1 TIP3 5105 -37.140 15.706 10.306 1.00 0.00 WT3 H ATOM 42378 H2 TIP3 5105 -19.184 -5.842 -13.288 1.00 0.00 WT3 H ATOM 42379 OH2 TIP3 5114 0.024 0.129 0.428 1.00 0.00 WT3 O ATOM 42380 H1 TIP3 5114 1.748 2.670 0.474 1.00 0.00 WT3 H ATOM 42381 H2 TIP3 5114 -17.093 7.666 25.592 1.00 0.00 WT3 H ATOM 42382 OH2 TIP3 5115 2.008 -4.749 -4.875 1.00 0.00 WT3 O ATOM 42383 H1 TIP3 5115 -2.112 -4.098 -16.469 1.00 0.00 WT3 H ATOM 42384 H2 TIP3 5115 -1.250 -11.305 2.272 1.00 0.00 WT3 H ATOM 42385 OH2 TIP3 5116 1.033 0.996 0.608 1.00 0.00 WT3 O ATOM 42386 H1 TIP3 5116 1.173 -3.248 -19.628 1.00 0.00 WT3 H ATOM 42387 H2 TIP3 5116 -6.976 25.267 3.289 1.00 0.00 WT3 H ATOM 42388 OH2 TIP3 5118 7.575 -6.035 -4.127 1.00 0.00 WT3 O ATOM 42389 H1 TIP3 5118 12.893 12.942 -12.453 1.00 0.00 WT3 H ATOM 42390 H2 TIP3 5118 -7.608 -3.398 -17.534 1.00 0.00 WT3 H ATOM 42391 OH2 TIP3 5124 -2.849 0.392 3.481 1.00 0.00 WT3 O ATOM 42392 H1 TIP3 5124 12.538 17.492 -4.999 1.00 0.00 WT3 H ATOM 42393 H2 TIP3 5124 0.595 -0.473 2.604 1.00 0.00 WT3 H ATOM 42394 OH2 TIP3 5133 5.323 -0.699 1.336 1.00 0.00 WT3 O ATOM 42395 H1 TIP3 5133 6.467 18.019 -23.237 1.00 0.00 WT3 H ATOM 42396 H2 TIP3 5133 2.291 -12.031 3.746 1.00 0.00 WT3 H ATOM 42397 OH2 TIP3 5134 -0.644 -1.386 -4.008 1.00 0.00 WT3 O ATOM 42398 H1 TIP3 5134 -4.836 7.472 0.107 1.00 0.00 WT3 H ATOM 42399 H2 TIP3 5134 -14.996 -27.910 13.123 1.00 0.00 WT3 H ATOM 42400 OH2 TIP3 5164 3.062 -3.450 1.655 1.00 0.00 WT3 O ATOM 42401 H1 TIP3 5164 -6.425 4.953 -6.513 1.00 0.00 WT3 H ATOM 42402 H2 TIP3 5164 -25.371 -19.426 15.256 1.00 0.00 WT3 H ATOM 42403 OH2 TIP3 5166 0.179 -0.302 -3.825 1.00 0.00 WT3 O ATOM 42404 H1 TIP3 5166 -13.251 7.862 35.056 1.00 0.00 WT3 H ATOM 42405 H2 TIP3 5166 2.677 -3.171 -11.828 1.00 0.00 WT3 H ATOM 42406 OH2 TIP3 5193 -3.540 4.887 -2.176 1.00 0.00 WT3 O ATOM 42407 H1 TIP3 5193 -8.704 31.769 6.204 1.00 0.00 WT3 H ATOM 42408 H2 TIP3 5193 -6.378 1.732 9.576 1.00 0.00 WT3 H ATOM 42409 OH2 TIP3 5195 4.585 -1.094 -5.506 1.00 0.00 WT3 O ATOM 42410 H1 TIP3 5195 25.105 -10.295 -13.774 1.00 0.00 WT3 H ATOM 42411 H2 TIP3 5195 -5.663 -8.638 6.289 1.00 0.00 WT3 H ATOM 42412 OH2 TIP3 5234 1.997 3.877 -3.323 1.00 0.00 WT3 O ATOM 42413 H1 TIP3 5234 5.768 17.218 -4.734 1.00 0.00 WT3 H ATOM 42414 H2 TIP3 5234 -6.651 8.759 -1.602 1.00 0.00 WT3 H ATOM 42415 OH2 TIP3 5251 -0.485 -0.209 -3.870 1.00 0.00 WT3 O ATOM 42416 H1 TIP3 5251 -19.886 -18.001 -11.871 1.00 0.00 WT3 H ATOM 42417 H2 TIP3 5251 21.381 -1.903 -9.645 1.00 0.00 WT3 H ATOM 42418 OH2 TIP3 5252 -2.894 -3.287 2.490 1.00 0.00 WT3 O ATOM 42419 H1 TIP3 5252 -1.878 5.887 3.132 1.00 0.00 WT3 H ATOM 42420 H2 TIP3 5252 -2.240 -3.070 0.462 1.00 0.00 WT3 H ATOM 42421 OH2 TIP3 5259 -2.178 6.949 -1.669 1.00 0.00 WT3 O ATOM 42422 H1 TIP3 5259 -7.877 8.742 -22.708 1.00 0.00 WT3 H ATOM 42423 H2 TIP3 5259 0.656 2.299 -0.853 1.00 0.00 WT3 H ATOM 42424 OH2 TIP3 5271 7.130 0.205 -1.280 1.00 0.00 WT3 O ATOM 42425 H1 TIP3 5271 6.202 1.060 -4.891 1.00 0.00 WT3 H ATOM 42426 H2 TIP3 5271 7.247 12.973 8.226 1.00 0.00 WT3 H ATOM 42427 OH2 TIP3 5272 0.540 3.152 4.038 1.00 0.00 WT3 O ATOM 42428 H1 TIP3 5272 10.298 -23.687 8.040 1.00 0.00 WT3 H ATOM 42429 H2 TIP3 5272 15.361 -1.287 0.217 1.00 0.00 WT3 H ATOM 42430 OH2 TIP3 5284 1.943 -1.973 -0.323 1.00 0.00 WT3 O ATOM 42431 H1 TIP3 5284 -3.720 4.522 -12.978 1.00 0.00 WT3 H ATOM 42432 H2 TIP3 5284 7.948 -7.899 20.959 1.00 0.00 WT3 H ATOM 42433 OH2 TIP3 5286 -2.766 -5.483 3.552 1.00 0.00 WT3 O ATOM 42434 H1 TIP3 5286 11.684 3.809 6.486 1.00 0.00 WT3 H ATOM 42435 H2 TIP3 5286 10.722 9.139 -10.995 1.00 0.00 WT3 H ATOM 42436 OH2 TIP3 5296 -5.061 0.775 3.151 1.00 0.00 WT3 O ATOM 42437 H1 TIP3 5296 2.578 -2.751 5.718 1.00 0.00 WT3 H ATOM 42438 H2 TIP3 5296 -5.589 0.862 -5.840 1.00 0.00 WT3 H ATOM 42439 OH2 TIP3 5302 0.205 -2.680 0.142 1.00 0.00 WT3 O ATOM 42440 H1 TIP3 5302 -1.019 -13.588 -5.953 1.00 0.00 WT3 H ATOM 42441 H2 TIP3 5302 8.120 -20.283 25.240 1.00 0.00 WT3 H ATOM 42442 OH2 TIP3 5304 -4.539 3.955 0.417 1.00 0.00 WT3 O ATOM 42443 H1 TIP3 5304 4.016 -15.839 -9.506 1.00 0.00 WT3 H ATOM 42444 H2 TIP3 5304 -13.035 -9.259 -12.376 1.00 0.00 WT3 H ATOM 42445 OH2 TIP3 5306 -3.180 -0.179 -6.432 1.00 0.00 WT3 O ATOM 42446 H1 TIP3 5306 -15.108 -0.227 -15.542 1.00 0.00 WT3 H ATOM 42447 H2 TIP3 5306 4.548 17.213 -5.196 1.00 0.00 WT3 H ATOM 42448 OH2 TIP3 5309 5.417 1.247 2.458 1.00 0.00 WT3 O ATOM 42449 H1 TIP3 5309 6.979 4.282 10.477 1.00 0.00 WT3 H ATOM 42450 H2 TIP3 5309 0.263 -6.866 7.848 1.00 0.00 WT3 H ATOM 42451 OH2 TIP3 5314 1.071 -3.895 1.157 1.00 0.00 WT3 O ATOM 42452 H1 TIP3 5314 -24.642 13.891 -15.259 1.00 0.00 WT3 H ATOM 42453 H2 TIP3 5314 -4.462 -0.751 -15.474 1.00 0.00 WT3 H ATOM 42454 OH2 TIP3 5317 -4.393 -0.180 -7.799 1.00 0.00 WT3 O ATOM 42455 H1 TIP3 5317 -22.325 -11.611 5.520 1.00 0.00 WT3 H ATOM 42456 H2 TIP3 5317 9.020 9.301 -7.005 1.00 0.00 WT3 H ATOM 42457 OH2 TIP3 5318 -6.118 -1.907 -3.471 1.00 0.00 WT3 O ATOM 42458 H1 TIP3 5318 2.709 -6.120 -3.809 1.00 0.00 WT3 H ATOM 42459 H2 TIP3 5318 -6.575 4.998 -7.430 1.00 0.00 WT3 H ATOM 42460 OH2 TIP3 5319 0.498 -5.278 5.815 1.00 0.00 WT3 O ATOM 42461 H1 TIP3 5319 -16.928 8.232 2.771 1.00 0.00 WT3 H ATOM 42462 H2 TIP3 5319 -4.896 -13.673 16.035 1.00 0.00 WT3 H ATOM 42463 OH2 TIP3 5320 0.605 6.042 8.240 1.00 0.00 WT3 O ATOM 42464 H1 TIP3 5320 10.896 -0.317 12.001 1.00 0.00 WT3 H ATOM 42465 H2 TIP3 5320 8.244 -10.955 9.402 1.00 0.00 WT3 H ATOM 42466 OH2 TIP3 5323 -4.452 -0.566 2.014 1.00 0.00 WT3 O ATOM 42467 H1 TIP3 5323 0.474 5.735 5.096 1.00 0.00 WT3 H ATOM 42468 H2 TIP3 5323 22.764 -0.305 9.097 1.00 0.00 WT3 H ATOM 42469 OH2 TIP3 5328 4.674 -3.943 -4.743 1.00 0.00 WT3 O ATOM 42470 H1 TIP3 5328 11.541 -0.205 -0.654 1.00 0.00 WT3 H ATOM 42471 H2 TIP3 5328 -3.340 -9.199 -7.362 1.00 0.00 WT3 H ATOM 42472 OH2 TIP3 5331 -3.467 0.170 2.801 1.00 0.00 WT3 O ATOM 42473 H1 TIP3 5331 -0.903 -5.066 2.817 1.00 0.00 WT3 H ATOM 42474 H2 TIP3 5331 -18.541 24.077 2.256 1.00 0.00 WT3 H ATOM 42475 OH2 TIP3 5332 -4.986 1.581 -3.047 1.00 0.00 WT3 O ATOM 42476 H1 TIP3 5332 -11.275 10.692 -16.350 1.00 0.00 WT3 H ATOM 42477 H2 TIP3 5332 4.504 3.202 23.990 1.00 0.00 WT3 H ATOM 42478 OH2 TIP3 5334 -4.900 0.452 -0.536 1.00 0.00 WT3 O ATOM 42479 H1 TIP3 5334 26.990 0.650 -10.775 1.00 0.00 WT3 H ATOM 42480 H2 TIP3 5334 3.979 -2.516 -3.681 1.00 0.00 WT3 H ATOM 42481 OH2 TIP3 5338 1.346 -0.504 -6.623 1.00 0.00 WT3 O ATOM 42482 H1 TIP3 5338 -4.075 8.088 -6.020 1.00 0.00 WT3 H ATOM 42483 H2 TIP3 5338 7.740 -3.738 -3.487 1.00 0.00 WT3 H ATOM 42484 OH2 TIP3 5341 1.868 -2.101 -1.884 1.00 0.00 WT3 O ATOM 42485 H1 TIP3 5341 -7.142 8.138 -0.694 1.00 0.00 WT3 H ATOM 42486 H2 TIP3 5341 33.927 6.025 -7.651 1.00 0.00 WT3 H ATOM 42487 OH2 TIP3 5350 -6.257 -3.001 2.226 1.00 0.00 WT3 O ATOM 42488 H1 TIP3 5350 -21.790 5.654 -7.987 1.00 0.00 WT3 H ATOM 42489 H2 TIP3 5350 13.265 -5.428 19.323 1.00 0.00 WT3 H ATOM 42490 OH2 TIP3 5351 7.827 -1.733 1.878 1.00 0.00 WT3 O ATOM 42491 H1 TIP3 5351 26.483 -20.169 18.470 1.00 0.00 WT3 H ATOM 42492 H2 TIP3 5351 -5.849 13.928 -7.022 1.00 0.00 WT3 H ATOM 42493 OH2 TIP3 5354 4.575 0.055 -8.569 1.00 0.00 WT3 O ATOM 42494 H1 TIP3 5354 18.613 5.505 -6.807 1.00 0.00 WT3 H ATOM 42495 H2 TIP3 5354 4.296 -12.251 0.532 1.00 0.00 WT3 H ATOM 42496 OH2 TIP3 5355 3.792 -6.141 -1.259 1.00 0.00 WT3 O ATOM 42497 H1 TIP3 5355 -5.779 3.482 8.499 1.00 0.00 WT3 H ATOM 42498 H2 TIP3 5355 -23.748 22.367 24.305 1.00 0.00 WT3 H ATOM 42499 OH2 TIP3 5356 5.640 -5.205 -0.277 1.00 0.00 WT3 O ATOM 42500 H1 TIP3 5356 4.552 0.040 -5.395 1.00 0.00 WT3 H ATOM 42501 H2 TIP3 5356 10.075 -5.933 -4.112 1.00 0.00 WT3 H ATOM 42502 OH2 TIP3 5357 1.646 -7.699 0.199 1.00 0.00 WT3 O ATOM 42503 H1 TIP3 5357 12.201 -0.226 25.664 1.00 0.00 WT3 H ATOM 42504 H2 TIP3 5357 6.310 -31.284 6.311 1.00 0.00 WT3 H ATOM 42505 OH2 TIP3 5358 -2.288 4.203 4.383 1.00 0.00 WT3 O ATOM 42506 H1 TIP3 5358 -2.764 9.144 -2.755 1.00 0.00 WT3 H ATOM 42507 H2 TIP3 5358 -0.308 -1.990 0.528 1.00 0.00 WT3 H ATOM 42508 OH2 TIP3 5359 -1.425 0.621 -3.573 1.00 0.00 WT3 O ATOM 42509 H1 TIP3 5359 -3.284 18.937 -8.701 1.00 0.00 WT3 H ATOM 42510 H2 TIP3 5359 2.569 -14.754 -2.330 1.00 0.00 WT3 H ATOM 42511 OH2 TIP3 5360 5.061 1.251 3.174 1.00 0.00 WT3 O ATOM 42512 H1 TIP3 5360 6.193 -3.997 2.635 1.00 0.00 WT3 H ATOM 42513 H2 TIP3 5360 8.076 27.648 10.915 1.00 0.00 WT3 H ATOM 42514 OH2 TIP3 5363 1.653 -0.372 -5.879 1.00 0.00 WT3 O ATOM 42515 H1 TIP3 5363 -17.737 3.404 -7.733 1.00 0.00 WT3 H ATOM 42516 H2 TIP3 5363 10.694 27.110 -3.962 1.00 0.00 WT3 H ATOM 42517 OH2 TIP3 5364 4.868 1.825 -5.640 1.00 0.00 WT3 O ATOM 42518 H1 TIP3 5364 -20.401 18.571 0.455 1.00 0.00 WT3 H ATOM 42519 H2 TIP3 5364 12.538 13.595 -8.612 1.00 0.00 WT3 H ATOM 42520 OH2 TIP3 5369 0.851 1.713 4.130 1.00 0.00 WT3 O ATOM 42521 H1 TIP3 5369 -9.866 -5.078 -6.730 1.00 0.00 WT3 H ATOM 42522 H2 TIP3 5369 25.817 -12.560 -0.715 1.00 0.00 WT3 H ATOM 42523 OH2 TIP3 5370 -2.395 3.865 2.337 1.00 0.00 WT3 O ATOM 42524 H1 TIP3 5370 -14.525 -11.168 10.308 1.00 0.00 WT3 H ATOM 42525 H2 TIP3 5370 -10.963 8.207 10.493 1.00 0.00 WT3 H ATOM 42526 OH2 TIP3 5371 -1.535 -2.972 -6.059 1.00 0.00 WT3 O ATOM 42527 H1 TIP3 5371 -1.772 4.891 -1.652 1.00 0.00 WT3 H ATOM 42528 H2 TIP3 5371 -17.976 -11.522 -7.565 1.00 0.00 WT3 H ATOM 42529 OH2 TIP3 5372 7.557 -0.350 0.935 1.00 0.00 WT3 O ATOM 42530 H1 TIP3 5372 -0.923 3.916 -2.197 1.00 0.00 WT3 H ATOM 42531 H2 TIP3 5372 -6.832 -20.079 3.295 1.00 0.00 WT3 H ATOM 42532 OH2 TIP3 5374 4.588 -0.277 -1.422 1.00 0.00 WT3 O ATOM 42533 H1 TIP3 5374 -29.379 14.028 -13.004 1.00 0.00 WT3 H ATOM 42534 H2 TIP3 5374 -3.687 1.018 -10.453 1.00 0.00 WT3 H ATOM 42535 OH2 TIP3 5375 3.752 4.944 1.166 1.00 0.00 WT3 O ATOM 42536 H1 TIP3 5375 3.679 2.813 -8.188 1.00 0.00 WT3 H ATOM 42537 H2 TIP3 5375 2.043 6.311 0.087 1.00 0.00 WT3 H ATOM 42538 OH2 TIP3 5376 2.604 3.330 -5.492 1.00 0.00 WT3 O ATOM 42539 H1 TIP3 5376 6.968 12.688 5.859 1.00 0.00 WT3 H ATOM 42540 H2 TIP3 5376 9.056 -8.724 -1.738 1.00 0.00 WT3 H ATOM 42541 OH2 TIP3 5377 -0.196 -1.041 3.560 1.00 0.00 WT3 O ATOM 42542 H1 TIP3 5377 2.764 -11.290 -5.012 1.00 0.00 WT3 H ATOM 42543 H2 TIP3 5377 12.984 -2.339 10.972 1.00 0.00 WT3 H ATOM 42544 OH2 TIP3 5378 -0.558 -4.390 -0.751 1.00 0.00 WT3 O ATOM 42545 H1 TIP3 5378 19.243 -42.725 -6.283 1.00 0.00 WT3 H ATOM 42546 H2 TIP3 5378 -5.759 5.921 -3.934 1.00 0.00 WT3 H ATOM 42547 OH2 TIP3 5379 2.320 3.656 -8.770 1.00 0.00 WT3 O ATOM 42548 H1 TIP3 5379 6.035 -13.917 -2.166 1.00 0.00 WT3 H ATOM 42549 H2 TIP3 5379 -12.758 -21.150 -10.076 1.00 0.00 WT3 H ATOM 42550 OH2 TIP3 5380 -2.015 3.841 5.264 1.00 0.00 WT3 O ATOM 42551 H1 TIP3 5380 10.500 36.943 -0.771 1.00 0.00 WT3 H ATOM 42552 H2 TIP3 5380 -5.866 -21.117 -16.359 1.00 0.00 WT3 H ATOM 42553 OH2 TIP3 5381 1.846 -0.809 5.972 1.00 0.00 WT3 O ATOM 42554 H1 TIP3 5381 -1.412 -11.154 -13.284 1.00 0.00 WT3 H ATOM 42555 H2 TIP3 5381 -4.014 -18.026 -17.216 1.00 0.00 WT3 H ATOM 42556 OH2 TIP3 5382 -2.812 -0.354 -5.174 1.00 0.00 WT3 O ATOM 42557 H1 TIP3 5382 4.936 -3.411 2.035 1.00 0.00 WT3 H ATOM 42558 H2 TIP3 5382 -0.360 11.468 -16.248 1.00 0.00 WT3 H ATOM 42559 OH2 TIP3 5383 2.257 3.827 -0.544 1.00 0.00 WT3 O ATOM 42560 H1 TIP3 5383 24.849 -4.345 1.589 1.00 0.00 WT3 H ATOM 42561 H2 TIP3 5383 -8.148 -1.251 4.677 1.00 0.00 WT3 H ATOM 42562 OH2 TIP3 5384 0.177 -6.207 1.626 1.00 0.00 WT3 O ATOM 42563 H1 TIP3 5384 4.521 11.601 6.574 1.00 0.00 WT3 H ATOM 42564 H2 TIP3 5384 0.600 -10.802 -1.337 1.00 0.00 WT3 H ATOM 42565 OH2 TIP3 5385 -3.681 -1.983 4.462 1.00 0.00 WT3 O ATOM 42566 H1 TIP3 5385 2.558 0.633 1.882 1.00 0.00 WT3 H ATOM 42567 H2 TIP3 5385 -0.208 -9.721 1.103 1.00 0.00 WT3 H ATOM 42568 OH2 TIP3 5388 2.557 2.871 6.627 1.00 0.00 WT3 O ATOM 42569 H1 TIP3 5388 9.530 25.166 -20.593 1.00 0.00 WT3 H ATOM 42570 H2 TIP3 5388 5.199 7.010 -0.451 1.00 0.00 WT3 H ATOM 42571 OH2 TIP3 5389 -7.437 -0.726 0.589 1.00 0.00 WT3 O ATOM 42572 H1 TIP3 5389 -4.522 -10.665 8.476 1.00 0.00 WT3 H ATOM 42573 H2 TIP3 5389 -19.076 9.174 11.649 1.00 0.00 WT3 H ATOM 42574 OH2 TIP3 5390 3.675 -5.060 -3.741 1.00 0.00 WT3 O ATOM 42575 H1 TIP3 5390 -14.098 -4.438 -24.227 1.00 0.00 WT3 H ATOM 42576 H2 TIP3 5390 12.110 -16.966 -11.205 1.00 0.00 WT3 H ATOM 42577 OH2 TIP3 5392 4.606 7.322 1.507 1.00 0.00 WT3 O ATOM 42578 H1 TIP3 5392 12.965 6.561 4.223 1.00 0.00 WT3 H ATOM 42579 H2 TIP3 5392 16.249 12.740 -8.658 1.00 0.00 WT3 H ATOM 42580 OH2 TIP3 5393 -0.953 1.623 6.467 1.00 0.00 WT3 O ATOM 42581 H1 TIP3 5393 -15.292 15.735 -5.604 1.00 0.00 WT3 H ATOM 42582 H2 TIP3 5393 20.656 8.016 -0.532 1.00 0.00 WT3 H ATOM 42583 OH2 TIP3 5394 -3.753 -4.278 -4.988 1.00 0.00 WT3 O ATOM 42584 H1 TIP3 5394 13.405 17.096 24.280 1.00 0.00 WT3 H ATOM 42585 H2 TIP3 5394 -10.144 -10.638 -14.848 1.00 0.00 WT3 H ATOM 42586 OH2 TIP3 5396 7.160 0.392 -9.626 1.00 0.00 WT3 O ATOM 42587 H1 TIP3 5396 -15.125 -6.917 19.366 1.00 0.00 WT3 H ATOM 42588 H2 TIP3 5396 1.252 0.339 -13.306 1.00 0.00 WT3 H ATOM 42589 OH2 TIP3 5397 -4.574 0.094 0.322 1.00 0.00 WT3 O ATOM 42590 H1 TIP3 5397 -8.692 0.033 -2.292 1.00 0.00 WT3 H ATOM 42591 H2 TIP3 5397 25.271 14.625 -0.759 1.00 0.00 WT3 H ATOM 42592 OH2 TIP3 5398 -3.129 -3.849 -1.040 1.00 0.00 WT3 O ATOM 42593 H1 TIP3 5398 21.399 7.305 -1.407 1.00 0.00 WT3 H ATOM 42594 H2 TIP3 5398 -13.033 25.577 -19.887 1.00 0.00 WT3 H ATOM 42595 OH2 TIP3 5399 -1.478 3.400 -3.438 1.00 0.00 WT3 O ATOM 42596 H1 TIP3 5399 37.527 1.240 -11.085 1.00 0.00 WT3 H ATOM 42597 H2 TIP3 5399 10.730 -11.011 19.215 1.00 0.00 WT3 H ATOM 42598 OH2 TIP3 5400 -1.528 -5.439 4.593 1.00 0.00 WT3 O ATOM 42599 H1 TIP3 5400 -7.953 1.890 -2.971 1.00 0.00 WT3 H ATOM 42600 H2 TIP3 5400 6.516 -8.471 6.402 1.00 0.00 WT3 H ATOM 42601 OH2 TIP3 5401 2.184 0.750 1.031 1.00 0.00 WT3 O ATOM 42602 H1 TIP3 5401 -11.154 -9.604 8.531 1.00 0.00 WT3 H ATOM 42603 H2 TIP3 5401 5.985 9.701 1.636 1.00 0.00 WT3 H ATOM 42604 OH2 TIP3 5402 0.729 -1.829 3.141 1.00 0.00 WT3 O ATOM 42605 H1 TIP3 5402 2.428 4.656 8.006 1.00 0.00 WT3 H ATOM 42606 H2 TIP3 5402 -4.180 15.903 9.089 1.00 0.00 WT3 H ATOM 42607 OH2 TIP3 5404 -5.310 9.320 -1.374 1.00 0.00 WT3 O ATOM 42608 H1 TIP3 5404 -5.182 3.925 4.847 1.00 0.00 WT3 H ATOM 42609 H2 TIP3 5404 -7.011 0.351 -2.102 1.00 0.00 WT3 H ATOM 42610 OH2 TIP3 5408 3.718 0.805 0.233 1.00 0.00 WT3 O ATOM 42611 H1 TIP3 5408 20.411 8.977 14.078 1.00 0.00 WT3 H ATOM 42612 H2 TIP3 5408 5.528 0.305 9.122 1.00 0.00 WT3 H ATOM 42613 OH2 TIP3 5409 -5.097 -4.864 -2.051 1.00 0.00 WT3 O ATOM 42614 H1 TIP3 5409 10.858 -16.889 -6.835 1.00 0.00 WT3 H ATOM 42615 H2 TIP3 5409 3.424 -5.999 11.901 1.00 0.00 WT3 H ATOM 42616 OH2 TIP3 5413 -2.104 -4.528 -0.510 1.00 0.00 WT3 O ATOM 42617 H1 TIP3 5413 -7.831 -10.020 7.759 1.00 0.00 WT3 H ATOM 42618 H2 TIP3 5413 -2.856 -13.876 3.758 1.00 0.00 WT3 H ATOM 42619 OH2 TIP3 5414 -1.652 -4.087 -3.275 1.00 0.00 WT3 O ATOM 42620 H1 TIP3 5414 -12.477 4.991 5.520 1.00 0.00 WT3 H ATOM 42621 H2 TIP3 5414 -0.966 -3.934 -2.814 1.00 0.00 WT3 H ATOM 42622 OH2 TIP3 5417 1.685 -4.030 1.083 1.00 0.00 WT3 O ATOM 42623 H1 TIP3 5417 -12.548 -3.624 -15.025 1.00 0.00 WT3 H ATOM 42624 H2 TIP3 5417 6.699 11.977 -9.312 1.00 0.00 WT3 H ATOM 42625 OH2 TIP3 5418 -2.236 -0.033 1.776 1.00 0.00 WT3 O ATOM 42626 H1 TIP3 5418 -3.625 1.236 15.554 1.00 0.00 WT3 H ATOM 42627 H2 TIP3 5418 6.789 -13.233 -3.995 1.00 0.00 WT3 H ATOM 42628 OH2 TIP3 5419 2.828 1.950 -0.169 1.00 0.00 WT3 O ATOM 42629 H1 TIP3 5419 3.319 19.114 -4.282 1.00 0.00 WT3 H ATOM 42630 H2 TIP3 5419 -6.583 -1.163 -12.609 1.00 0.00 WT3 H ATOM 42631 OH2 TIP3 5420 -2.387 -6.373 -4.986 1.00 0.00 WT3 O ATOM 42632 H1 TIP3 5420 18.238 -2.902 -24.610 1.00 0.00 WT3 H ATOM 42633 H2 TIP3 5420 -14.387 35.666 -6.898 1.00 0.00 WT3 H ATOM 42634 OH2 TIP3 5421 3.010 1.148 2.560 1.00 0.00 WT3 O ATOM 42635 H1 TIP3 5421 1.631 -1.012 2.115 1.00 0.00 WT3 H ATOM 42636 H2 TIP3 5421 3.948 1.734 2.483 1.00 0.00 WT3 H ATOM 42637 OH2 TIP3 5422 -4.449 -1.866 2.077 1.00 0.00 WT3 O ATOM 42638 H1 TIP3 5422 15.704 19.053 -11.311 1.00 0.00 WT3 H ATOM 42639 H2 TIP3 5422 -5.244 -1.492 -0.457 1.00 0.00 WT3 H ATOM 42640 OH2 TIP3 5423 -3.734 -4.082 2.857 1.00 0.00 WT3 O ATOM 42641 H1 TIP3 5423 -5.320 -10.414 4.859 1.00 0.00 WT3 H ATOM 42642 H2 TIP3 5423 -18.839 5.893 -20.623 1.00 0.00 WT3 H ATOM 42643 OH2 TIP3 5424 13.435 2.794 -1.889 1.00 0.00 WT3 O ATOM 42644 H1 TIP3 5424 26.898 -20.880 -26.727 1.00 0.00 WT3 H ATOM 42645 H2 TIP3 5424 12.768 5.917 0.936 1.00 0.00 WT3 H ATOM 42646 OH2 TIP3 5426 -2.792 -1.445 -2.066 1.00 0.00 WT3 O ATOM 42647 H1 TIP3 5426 15.544 16.755 0.186 1.00 0.00 WT3 H ATOM 42648 H2 TIP3 5426 -3.420 -4.052 3.647 1.00 0.00 WT3 H ATOM 42649 OH2 TIP3 5427 -1.226 -4.689 0.201 1.00 0.00 WT3 O ATOM 42650 H1 TIP3 5427 -11.149 8.499 4.603 1.00 0.00 WT3 H ATOM 42651 H2 TIP3 5427 -20.685 -7.293 0.398 1.00 0.00 WT3 H ATOM 42652 OH2 TIP3 5428 5.049 0.672 -5.526 1.00 0.00 WT3 O ATOM 42653 H1 TIP3 5428 9.339 -1.396 -8.541 1.00 0.00 WT3 H ATOM 42654 H2 TIP3 5428 -0.895 3.125 -1.450 1.00 0.00 WT3 H ATOM 42655 OH2 TIP3 5429 -1.427 2.575 -1.007 1.00 0.00 WT3 O ATOM 42656 H1 TIP3 5429 -3.818 12.599 33.916 1.00 0.00 WT3 H ATOM 42657 H2 TIP3 5429 -2.752 10.788 -3.471 1.00 0.00 WT3 H ATOM 42658 OH2 TIP3 5430 -0.054 -5.781 7.849 1.00 0.00 WT3 O ATOM 42659 H1 TIP3 5430 12.904 5.141 -6.892 1.00 0.00 WT3 H ATOM 42660 H2 TIP3 5430 -3.032 -10.186 -1.107 1.00 0.00 WT3 H ATOM 42661 OH2 TIP3 5432 6.540 0.786 9.301 1.00 0.00 WT3 O ATOM 42662 H1 TIP3 5432 -1.813 1.843 2.119 1.00 0.00 WT3 H ATOM 42663 H2 TIP3 5432 -9.250 -5.912 3.206 1.00 0.00 WT3 H ATOM 42664 OH2 TIP3 5434 3.469 3.289 4.512 1.00 0.00 WT3 O ATOM 42665 H1 TIP3 5434 -1.983 -13.084 -26.992 1.00 0.00 WT3 H ATOM 42666 H2 TIP3 5434 -24.344 3.165 12.470 1.00 0.00 WT3 H ATOM 42667 OH2 TIP3 5436 -2.440 1.982 -0.117 1.00 0.00 WT3 O ATOM 42668 H1 TIP3 5436 7.543 -3.163 2.900 1.00 0.00 WT3 H ATOM 42669 H2 TIP3 5436 -0.142 4.916 6.758 1.00 0.00 WT3 H ATOM 42670 OH2 TIP3 5437 -0.615 0.001 -0.030 1.00 0.00 WT3 O ATOM 42671 H1 TIP3 5437 -24.343 -0.889 30.888 1.00 0.00 WT3 H ATOM 42672 H2 TIP3 5437 20.844 4.767 -7.408 1.00 0.00 WT3 H ATOM 42673 OH2 TIP3 5438 -0.736 -2.365 0.066 1.00 0.00 WT3 O ATOM 42674 H1 TIP3 5438 5.802 -11.062 4.945 1.00 0.00 WT3 H ATOM 42675 H2 TIP3 5438 -3.534 -6.492 6.468 1.00 0.00 WT3 H ATOM 42676 OH2 TIP3 5440 2.229 -0.016 0.158 1.00 0.00 WT3 O ATOM 42677 H1 TIP3 5440 -8.348 7.578 -2.292 1.00 0.00 WT3 H ATOM 42678 H2 TIP3 5440 -0.199 -7.953 10.616 1.00 0.00 WT3 H ATOM 42679 OH2 TIP3 5441 1.201 1.942 -2.804 1.00 0.00 WT3 O ATOM 42680 H1 TIP3 5441 4.569 -7.159 -3.836 1.00 0.00 WT3 H ATOM 42681 H2 TIP3 5441 -3.421 -11.762 -3.383 1.00 0.00 WT3 H ATOM 42682 OH2 TIP3 5442 -3.476 1.431 4.077 1.00 0.00 WT3 O ATOM 42683 H1 TIP3 5442 -5.540 -0.742 2.909 1.00 0.00 WT3 H ATOM 42684 H2 TIP3 5442 -5.343 4.621 2.184 1.00 0.00 WT3 H ATOM 42685 OH2 TIP3 5443 -0.458 1.196 -5.236 1.00 0.00 WT3 O ATOM 42686 H1 TIP3 5443 -40.166 -3.318 -2.230 1.00 0.00 WT3 H ATOM 42687 H2 TIP3 5443 9.653 19.785 0.848 1.00 0.00 WT3 H ATOM 42688 OH2 TIP3 5444 1.904 4.022 -6.103 1.00 0.00 WT3 O ATOM 42689 H1 TIP3 5444 5.632 -5.051 -8.991 1.00 0.00 WT3 H ATOM 42690 H2 TIP3 5444 22.312 -10.744 -2.490 1.00 0.00 WT3 H ATOM 42691 OH2 TIP3 5446 3.388 -7.267 0.275 1.00 0.00 WT3 O ATOM 42692 H1 TIP3 5446 7.241 9.504 2.960 1.00 0.00 WT3 H ATOM 42693 H2 TIP3 5446 2.419 -7.247 -2.814 1.00 0.00 WT3 H ATOM 42694 OH2 TIP3 5447 7.170 -4.716 5.938 1.00 0.00 WT3 O ATOM 42695 H1 TIP3 5447 -13.609 1.668 21.543 1.00 0.00 WT3 H ATOM 42696 H2 TIP3 5447 -5.198 -6.521 15.061 1.00 0.00 WT3 H ATOM 42697 OH2 TIP3 5448 4.783 -2.408 2.683 1.00 0.00 WT3 O ATOM 42698 H1 TIP3 5448 5.597 -11.409 14.626 1.00 0.00 WT3 H ATOM 42699 H2 TIP3 5448 -5.201 7.075 -4.631 1.00 0.00 WT3 H ATOM 42700 OH2 TIP3 5449 1.176 -1.553 -4.523 1.00 0.00 WT3 O ATOM 42701 H1 TIP3 5449 -9.630 -9.097 -20.890 1.00 0.00 WT3 H ATOM 42702 H2 TIP3 5449 -1.409 1.638 3.652 1.00 0.00 WT3 H ATOM 42703 OH2 TIP3 5450 0.132 -4.501 -3.996 1.00 0.00 WT3 O ATOM 42704 H1 TIP3 5450 1.850 -1.247 -0.497 1.00 0.00 WT3 H ATOM 42705 H2 TIP3 5450 -16.857 -1.712 1.161 1.00 0.00 WT3 H ATOM 42706 OH2 TIP3 5451 -5.237 -5.711 -3.553 1.00 0.00 WT3 O ATOM 42707 H1 TIP3 5451 5.087 5.866 -12.761 1.00 0.00 WT3 H ATOM 42708 H2 TIP3 5451 -17.811 -4.629 16.534 1.00 0.00 WT3 H ATOM 42709 OH2 TIP3 5452 0.478 -2.735 -4.340 1.00 0.00 WT3 O ATOM 42710 H1 TIP3 5452 -5.265 -4.329 -0.682 1.00 0.00 WT3 H ATOM 42711 H2 TIP3 5452 -6.622 1.141 -2.915 1.00 0.00 WT3 H ATOM 42712 OH2 TIP3 5453 -1.609 -5.953 -4.438 1.00 0.00 WT3 O ATOM 42713 H1 TIP3 5453 -23.728 -1.397 -1.058 1.00 0.00 WT3 H ATOM 42714 H2 TIP3 5453 5.075 12.906 0.821 1.00 0.00 WT3 H ATOM 42715 OH2 TIP3 5455 1.641 -3.267 1.688 1.00 0.00 WT3 O ATOM 42716 H1 TIP3 5455 5.429 12.651 -11.946 1.00 0.00 WT3 H ATOM 42717 H2 TIP3 5455 -1.628 -18.475 7.712 1.00 0.00 WT3 H ATOM 42718 OH2 TIP3 5456 4.250 -1.744 4.186 1.00 0.00 WT3 O ATOM 42719 H1 TIP3 5456 2.489 23.481 0.754 1.00 0.00 WT3 H ATOM 42720 H2 TIP3 5456 8.432 1.432 -36.497 1.00 0.00 WT3 H ATOM 42721 OH2 TIP3 5457 -1.503 -2.749 0.908 1.00 0.00 WT3 O ATOM 42722 H1 TIP3 5457 7.289 -9.249 -1.827 1.00 0.00 WT3 H ATOM 42723 H2 TIP3 5457 -12.999 -7.354 3.616 1.00 0.00 WT3 H ATOM 42724 OH2 TIP3 5458 1.970 3.077 -1.226 1.00 0.00 WT3 O ATOM 42725 H1 TIP3 5458 21.415 -1.571 -6.796 1.00 0.00 WT3 H ATOM 42726 H2 TIP3 5458 2.275 -4.470 -16.132 1.00 0.00 WT3 H ATOM 42727 OH2 TIP3 5459 6.294 -4.897 5.126 1.00 0.00 WT3 O ATOM 42728 H1 TIP3 5459 -3.407 -18.197 36.207 1.00 0.00 WT3 H ATOM 42729 H2 TIP3 5459 -6.879 -1.289 -1.106 1.00 0.00 WT3 H ATOM 42730 OH2 TIP3 5460 -3.508 -3.151 -3.912 1.00 0.00 WT3 O ATOM 42731 H1 TIP3 5460 28.004 8.548 -3.411 1.00 0.00 WT3 H ATOM 42732 H2 TIP3 5460 -30.804 11.553 17.072 1.00 0.00 WT3 H ATOM 42733 OH2 TIP3 5461 -2.509 -2.853 -1.036 1.00 0.00 WT3 O ATOM 42734 H1 TIP3 5461 -10.227 0.958 -2.710 1.00 0.00 WT3 H ATOM 42735 H2 TIP3 5461 12.720 2.424 4.352 1.00 0.00 WT3 H ATOM 42736 OH2 TIP3 5462 -4.568 0.271 4.729 1.00 0.00 WT3 O ATOM 42737 H1 TIP3 5462 0.094 -0.740 11.537 1.00 0.00 WT3 H ATOM 42738 H2 TIP3 5462 -12.898 -7.185 -14.352 1.00 0.00 WT3 H ATOM 42739 OH2 TIP3 5463 -0.964 -0.734 1.919 1.00 0.00 WT3 O ATOM 42740 H1 TIP3 5463 19.520 -33.617 -2.602 1.00 0.00 WT3 H ATOM 42741 H2 TIP3 5463 0.766 -9.983 -11.482 1.00 0.00 WT3 H ATOM 42742 OH2 TIP3 5464 0.706 -6.418 -1.889 1.00 0.00 WT3 O ATOM 42743 H1 TIP3 5464 -13.769 -3.523 0.563 1.00 0.00 WT3 H ATOM 42744 H2 TIP3 5464 3.072 -8.532 -3.108 1.00 0.00 WT3 H ATOM 42745 OH2 TIP3 5465 1.744 -2.895 -3.211 1.00 0.00 WT3 O ATOM 42746 H1 TIP3 5465 16.465 4.100 -34.582 1.00 0.00 WT3 H ATOM 42747 H2 TIP3 5465 7.789 -0.351 -20.741 1.00 0.00 WT3 H ATOM 42748 OH2 TIP3 5466 1.440 4.288 2.858 1.00 0.00 WT3 O ATOM 42749 H1 TIP3 5466 -20.718 -2.776 5.709 1.00 0.00 WT3 H ATOM 42750 H2 TIP3 5466 2.552 9.190 2.183 1.00 0.00 WT3 H ATOM 42751 OH2 TIP3 5469 -2.819 -0.129 -0.370 1.00 0.00 WT3 O ATOM 42752 H1 TIP3 5469 -2.746 0.175 -2.525 1.00 0.00 WT3 H ATOM 42753 H2 TIP3 5469 11.118 2.372 3.129 1.00 0.00 WT3 H ATOM 42754 OH2 TIP3 5470 -3.250 7.612 6.665 1.00 0.00 WT3 O ATOM 42755 H1 TIP3 5470 -0.272 -5.245 -9.726 1.00 0.00 WT3 H ATOM 42756 H2 TIP3 5470 -3.351 -6.293 -0.312 1.00 0.00 WT3 H ATOM 42757 OH2 TIP3 5471 1.404 -5.951 1.652 1.00 0.00 WT3 O ATOM 42758 H1 TIP3 5471 14.506 -12.350 18.895 1.00 0.00 WT3 H ATOM 42759 H2 TIP3 5471 -3.190 -2.472 -11.670 1.00 0.00 WT3 H ATOM 42760 OH2 TIP3 5472 -0.804 6.777 -1.389 1.00 0.00 WT3 O ATOM 42761 H1 TIP3 5472 19.502 0.232 -9.140 1.00 0.00 WT3 H ATOM 42762 H2 TIP3 5472 -10.834 1.801 16.975 1.00 0.00 WT3 H ATOM 42763 OH2 TIP3 5473 -6.267 0.526 -6.937 1.00 0.00 WT3 O ATOM 42764 H1 TIP3 5473 -25.441 -9.991 -11.016 1.00 0.00 WT3 H ATOM 42765 H2 TIP3 5473 14.566 14.280 -6.161 1.00 0.00 WT3 H ATOM 42766 OH2 TIP3 5474 -5.371 -2.675 -0.585 1.00 0.00 WT3 O ATOM 42767 H1 TIP3 5474 9.527 -14.539 5.465 1.00 0.00 WT3 H ATOM 42768 H2 TIP3 5474 8.636 -8.172 11.872 1.00 0.00 WT3 H ATOM 42769 OH2 TIP3 5476 3.008 -4.086 -1.287 1.00 0.00 WT3 O ATOM 42770 H1 TIP3 5476 -27.163 -14.910 -16.017 1.00 0.00 WT3 H ATOM 42771 H2 TIP3 5476 13.268 -0.547 5.476 1.00 0.00 WT3 H ATOM 42772 OH2 TIP3 5477 -0.181 -2.478 -1.781 1.00 0.00 WT3 O ATOM 42773 H1 TIP3 5477 -1.672 -8.968 6.969 1.00 0.00 WT3 H ATOM 42774 H2 TIP3 5477 -3.653 14.953 16.625 1.00 0.00 WT3 H ATOM 42775 OH2 TIP3 5478 -4.753 -5.307 2.073 1.00 0.00 WT3 O ATOM 42776 H1 TIP3 5478 -2.188 7.455 -4.025 1.00 0.00 WT3 H ATOM 42777 H2 TIP3 5478 -14.440 -14.296 -6.395 1.00 0.00 WT3 H ATOM 42778 OH2 TIP3 5479 -5.737 -3.826 0.923 1.00 0.00 WT3 O ATOM 42779 H1 TIP3 5479 -8.393 2.578 -7.132 1.00 0.00 WT3 H ATOM 42780 H2 TIP3 5479 -10.448 6.036 -11.762 1.00 0.00 WT3 H ATOM 42781 OH2 TIP3 5480 2.333 -2.253 -1.273 1.00 0.00 WT3 O ATOM 42782 H1 TIP3 5480 3.877 7.234 -5.727 1.00 0.00 WT3 H ATOM 42783 H2 TIP3 5480 4.409 6.830 -2.541 1.00 0.00 WT3 H ATOM 42784 OH2 TIP3 5481 -2.592 1.345 -2.561 1.00 0.00 WT3 O ATOM 42785 H1 TIP3 5481 -5.564 -1.055 2.157 1.00 0.00 WT3 H ATOM 42786 H2 TIP3 5481 -7.094 3.842 4.950 1.00 0.00 WT3 H ATOM 42787 OH2 TIP3 5482 -2.009 -1.588 -1.419 1.00 0.00 WT3 O ATOM 42788 H1 TIP3 5482 -0.722 -13.397 -14.869 1.00 0.00 WT3 H ATOM 42789 H2 TIP3 5482 11.657 5.913 19.077 1.00 0.00 WT3 H ATOM 42790 OH2 TIP3 5484 5.792 -1.018 0.383 1.00 0.00 WT3 O ATOM 42791 H1 TIP3 5484 5.608 0.023 -1.421 1.00 0.00 WT3 H ATOM 42792 H2 TIP3 5484 -0.392 12.151 -14.714 1.00 0.00 WT3 H ATOM 42793 OH2 TIP3 5485 -0.732 -8.687 3.291 1.00 0.00 WT3 O ATOM 42794 H1 TIP3 5485 6.145 -6.527 10.069 1.00 0.00 WT3 H ATOM 42795 H2 TIP3 5485 1.356 -12.083 8.094 1.00 0.00 WT3 H ATOM 42796 OH2 TIP3 5487 1.620 1.148 2.987 1.00 0.00 WT3 O ATOM 42797 H1 TIP3 5487 -6.872 9.197 8.483 1.00 0.00 WT3 H ATOM 42798 H2 TIP3 5487 -24.502 4.960 13.537 1.00 0.00 WT3 H ATOM 42799 OH2 TIP3 5489 4.396 4.566 0.940 1.00 0.00 WT3 O ATOM 42800 H1 TIP3 5489 4.778 16.493 9.245 1.00 0.00 WT3 H ATOM 42801 H2 TIP3 5489 4.818 -6.728 14.168 1.00 0.00 WT3 H ATOM 42802 OH2 TIP3 5490 3.167 4.058 -4.257 1.00 0.00 WT3 O ATOM 42803 H1 TIP3 5490 -10.175 17.917 -20.239 1.00 0.00 WT3 H ATOM 42804 H2 TIP3 5490 -1.188 0.004 7.880 1.00 0.00 WT3 H ATOM 42805 OH2 TIP3 5491 -4.654 5.909 -2.540 1.00 0.00 WT3 O ATOM 42806 H1 TIP3 5491 3.503 17.731 -7.228 1.00 0.00 WT3 H ATOM 42807 H2 TIP3 5491 -3.285 13.356 -0.175 1.00 0.00 WT3 H ATOM 42808 OH2 TIP3 5492 -0.620 -1.867 -0.877 1.00 0.00 WT3 O ATOM 42809 H1 TIP3 5492 15.368 15.722 1.891 1.00 0.00 WT3 H ATOM 42810 H2 TIP3 5492 13.035 10.883 1.664 1.00 0.00 WT3 H ATOM 42811 OH2 TIP3 5493 0.134 4.860 0.242 1.00 0.00 WT3 O ATOM 42812 H1 TIP3 5493 -0.272 7.089 -3.728 1.00 0.00 WT3 H ATOM 42813 H2 TIP3 5493 -0.151 -11.102 -9.555 1.00 0.00 WT3 H ATOM 42814 OH2 TIP3 5494 -2.169 -0.180 4.093 1.00 0.00 WT3 O ATOM 42815 H1 TIP3 5494 11.241 6.052 4.576 1.00 0.00 WT3 H ATOM 42816 H2 TIP3 5494 1.065 -34.858 -1.330 1.00 0.00 WT3 H ATOM 42817 OH2 TIP3 5496 5.699 9.047 -9.793 1.00 0.00 WT3 O ATOM 42818 H1 TIP3 5496 -4.344 8.444 -13.337 1.00 0.00 WT3 H ATOM 42819 H2 TIP3 5496 10.402 17.099 -8.197 1.00 0.00 WT3 H ATOM 42820 OH2 TIP3 5497 -2.610 1.563 -4.013 1.00 0.00 WT3 O ATOM 42821 H1 TIP3 5497 -11.011 -11.379 7.235 1.00 0.00 WT3 H ATOM 42822 H2 TIP3 5497 8.171 10.226 -8.839 1.00 0.00 WT3 H ATOM 42823 OH2 TIP3 5498 0.033 0.110 -1.864 1.00 0.00 WT3 O ATOM 42824 H1 TIP3 5498 7.011 -33.286 -16.878 1.00 0.00 WT3 H ATOM 42825 H2 TIP3 5498 -5.527 6.853 8.681 1.00 0.00 WT3 H ATOM 42826 OH2 TIP3 5503 5.848 -2.457 -6.258 1.00 0.00 WT3 O ATOM 42827 H1 TIP3 5503 -9.896 6.876 -36.239 1.00 0.00 WT3 H ATOM 42828 H2 TIP3 5503 13.531 20.978 4.759 1.00 0.00 WT3 H ATOM 42829 OH2 TIP3 5504 -0.397 -4.428 0.009 1.00 0.00 WT3 O ATOM 42830 H1 TIP3 5504 7.518 13.673 -14.837 1.00 0.00 WT3 H ATOM 42831 H2 TIP3 5504 -2.596 -28.346 -0.865 1.00 0.00 WT3 H ATOM 42832 OH2 TIP3 5505 -1.634 2.200 1.171 1.00 0.00 WT3 O ATOM 42833 H1 TIP3 5505 -4.830 -1.659 -14.623 1.00 0.00 WT3 H ATOM 42834 H2 TIP3 5505 -7.120 4.528 5.225 1.00 0.00 WT3 H ATOM 42835 OH2 TIP3 5513 1.391 -0.856 -0.261 1.00 0.00 WT3 O ATOM 42836 H1 TIP3 5513 -8.546 11.866 6.402 1.00 0.00 WT3 H ATOM 42837 H2 TIP3 5513 -9.920 5.950 1.613 1.00 0.00 WT3 H ATOM 42838 OH2 TIP3 5514 -0.511 3.428 -0.892 1.00 0.00 WT3 O ATOM 42839 H1 TIP3 5514 -17.578 -0.736 5.789 1.00 0.00 WT3 H ATOM 42840 H2 TIP3 5514 23.506 -2.817 16.181 1.00 0.00 WT3 H ATOM 42841 OH2 TIP3 5517 -0.046 -0.821 1.598 1.00 0.00 WT3 O ATOM 42842 H1 TIP3 5517 -9.842 -0.409 10.207 1.00 0.00 WT3 H ATOM 42843 H2 TIP3 5517 1.184 -14.440 -3.266 1.00 0.00 WT3 H ATOM 42844 OH2 TIP3 5518 -2.744 11.628 -2.511 1.00 0.00 WT3 O ATOM 42845 H1 TIP3 5518 -1.725 13.118 5.218 1.00 0.00 WT3 H ATOM 42846 H2 TIP3 5518 -6.139 5.416 2.417 1.00 0.00 WT3 H ATOM 42847 OH2 TIP3 5519 -3.538 2.644 -3.411 1.00 0.00 WT3 O ATOM 42848 H1 TIP3 5519 0.904 -7.064 -3.105 1.00 0.00 WT3 H ATOM 42849 H2 TIP3 5519 -10.681 0.151 16.229 1.00 0.00 WT3 H ATOM 42850 OH2 TIP3 5520 -6.224 0.438 -1.629 1.00 0.00 WT3 O ATOM 42851 H1 TIP3 5520 -2.601 3.209 -7.360 1.00 0.00 WT3 H ATOM 42852 H2 TIP3 5520 -0.750 -3.143 -2.190 1.00 0.00 WT3 H ATOM 42853 OH2 TIP3 5523 -7.079 4.544 -1.335 1.00 0.00 WT3 O ATOM 42854 H1 TIP3 5523 33.461 -6.421 10.327 1.00 0.00 WT3 H ATOM 42855 H2 TIP3 5523 -13.789 -27.173 -29.208 1.00 0.00 WT3 H ATOM 42856 OH2 TIP3 5526 5.726 1.935 -4.905 1.00 0.00 WT3 O ATOM 42857 H1 TIP3 5526 -7.469 -27.305 -13.778 1.00 0.00 WT3 H ATOM 42858 H2 TIP3 5526 9.523 9.370 -1.687 1.00 0.00 WT3 H ATOM 42859 OH2 TIP3 5528 5.231 1.231 -4.150 1.00 0.00 WT3 O ATOM 42860 H1 TIP3 5528 5.327 9.246 5.286 1.00 0.00 WT3 H ATOM 42861 H2 TIP3 5528 4.893 10.731 5.018 1.00 0.00 WT3 H ATOM 42862 OH2 TIP3 5529 -0.577 -2.980 3.902 1.00 0.00 WT3 O ATOM 42863 H1 TIP3 5529 8.477 7.861 1.296 1.00 0.00 WT3 H ATOM 42864 H2 TIP3 5529 3.067 3.083 1.524 1.00 0.00 WT3 H ATOM 42865 OH2 TIP3 5537 -3.058 0.697 -0.208 1.00 0.00 WT3 O ATOM 42866 H1 TIP3 5537 7.364 11.537 -9.595 1.00 0.00 WT3 H ATOM 42867 H2 TIP3 5537 -8.214 3.466 11.929 1.00 0.00 WT3 H ATOM 42868 OH2 TIP3 5538 -4.975 -3.831 1.019 1.00 0.00 WT3 O ATOM 42869 H1 TIP3 5538 -18.391 0.736 2.048 1.00 0.00 WT3 H ATOM 42870 H2 TIP3 5538 -3.197 13.282 8.159 1.00 0.00 WT3 H ATOM 42871 OH2 TIP3 5544 0.175 3.127 -8.189 1.00 0.00 WT3 O ATOM 42872 H1 TIP3 5544 28.072 21.515 -2.438 1.00 0.00 WT3 H ATOM 42873 H2 TIP3 5544 11.760 4.869 -14.937 1.00 0.00 WT3 H ATOM 42874 OH2 TIP3 5553 -8.566 -3.066 7.168 1.00 0.00 WT3 O ATOM 42875 H1 TIP3 5553 -8.960 -16.891 -7.674 1.00 0.00 WT3 H ATOM 42876 H2 TIP3 5553 2.002 -10.638 14.777 1.00 0.00 WT3 H ATOM 42877 OH2 TIP3 5561 1.953 1.771 5.380 1.00 0.00 WT3 O ATOM 42878 H1 TIP3 5561 -10.230 -7.408 -18.448 1.00 0.00 WT3 H ATOM 42879 H2 TIP3 5561 21.106 17.390 -1.834 1.00 0.00 WT3 H ATOM 42880 OH2 TIP3 5650 4.093 8.648 -5.266 1.00 0.00 WT3 O ATOM 42881 H1 TIP3 5650 23.552 -15.390 -3.037 1.00 0.00 WT3 H ATOM 42882 H2 TIP3 5650 14.787 -16.979 -8.739 1.00 0.00 WT3 H ATOM 42883 OH2 TIP3 5654 3.268 -2.882 -0.027 1.00 0.00 WT3 O ATOM 42884 H1 TIP3 5654 -1.157 -3.104 -3.766 1.00 0.00 WT3 H ATOM 42885 H2 TIP3 5654 -26.547 -6.026 -6.727 1.00 0.00 WT3 H ATOM 42886 OH2 TIP3 5669 -4.922 3.719 1.327 1.00 0.00 WT3 O ATOM 42887 H1 TIP3 5669 -29.040 -16.130 9.806 1.00 0.00 WT3 H ATOM 42888 H2 TIP3 5669 23.942 2.882 30.692 1.00 0.00 WT3 H ATOM 42889 OH2 TIP3 5676 0.502 -4.030 -7.505 1.00 0.00 WT3 O ATOM 42890 H1 TIP3 5676 -4.320 -13.786 -23.830 1.00 0.00 WT3 H ATOM 42891 H2 TIP3 5676 22.358 -7.369 -9.840 1.00 0.00 WT3 H ATOM 42892 OH2 TIP3 5678 9.704 -4.976 -6.844 1.00 0.00 WT3 O ATOM 42893 H1 TIP3 5678 3.354 6.140 -7.419 1.00 0.00 WT3 H ATOM 42894 H2 TIP3 5678 10.090 2.098 -20.646 1.00 0.00 WT3 H ATOM 42895 OH2 TIP3 5679 -2.722 4.557 -0.403 1.00 0.00 WT3 O ATOM 42896 H1 TIP3 5679 -7.361 4.140 -5.040 1.00 0.00 WT3 H ATOM 42897 H2 TIP3 5679 0.305 -2.079 -2.900 1.00 0.00 WT3 H ATOM 42898 OH2 TIP3 5690 5.109 0.854 1.839 1.00 0.00 WT3 O ATOM 42899 H1 TIP3 5690 -1.587 -20.701 8.127 1.00 0.00 WT3 H ATOM 42900 H2 TIP3 5690 7.725 -0.931 2.345 1.00 0.00 WT3 H ATOM 42901 OH2 TIP3 5691 -5.452 -6.053 0.776 1.00 0.00 WT3 O ATOM 42902 H1 TIP3 5691 -14.528 2.014 -6.408 1.00 0.00 WT3 H ATOM 42903 H2 TIP3 5691 4.719 -15.689 4.848 1.00 0.00 WT3 H ATOM 42904 OH2 TIP3 5692 -5.297 -1.868 4.229 1.00 0.00 WT3 O ATOM 42905 H1 TIP3 5692 -5.851 -12.630 11.619 1.00 0.00 WT3 H ATOM 42906 H2 TIP3 5692 -24.199 -8.555 10.332 1.00 0.00 WT3 H ATOM 42907 OH2 TIP3 5697 0.121 -5.929 -5.807 1.00 0.00 WT3 O ATOM 42908 H1 TIP3 5697 34.160 -15.242 -13.275 1.00 0.00 WT3 H ATOM 42909 H2 TIP3 5697 -14.373 5.897 -1.586 1.00 0.00 WT3 H ATOM 42910 OH2 TIP3 5706 6.006 -9.975 2.368 1.00 0.00 WT3 O ATOM 42911 H1 TIP3 5706 16.764 -14.149 -4.192 1.00 0.00 WT3 H ATOM 42912 H2 TIP3 5706 -6.190 4.305 -18.530 1.00 0.00 WT3 H ATOM 42913 OH2 TIP3 5710 -1.087 1.417 0.979 1.00 0.00 WT3 O ATOM 42914 H1 TIP3 5710 2.207 -0.450 4.625 1.00 0.00 WT3 H ATOM 42915 H2 TIP3 5710 8.899 -2.145 -13.195 1.00 0.00 WT3 H ATOM 42916 OH2 TIP3 5711 8.268 -4.990 -3.843 1.00 0.00 WT3 O ATOM 42917 H1 TIP3 5711 4.452 -2.772 -10.106 1.00 0.00 WT3 H ATOM 42918 H2 TIP3 5711 8.878 0.829 -14.358 1.00 0.00 WT3 H ATOM 42919 OH2 TIP3 5714 2.557 1.033 -0.615 1.00 0.00 WT3 O ATOM 42920 H1 TIP3 5714 -42.277 5.916 -6.243 1.00 0.00 WT3 H ATOM 42921 H2 TIP3 5714 -17.516 5.278 -3.584 1.00 0.00 WT3 H ATOM 42922 OH2 TIP3 5715 2.980 -3.968 3.484 1.00 0.00 WT3 O ATOM 42923 H1 TIP3 5715 -6.780 -17.924 19.290 1.00 0.00 WT3 H ATOM 42924 H2 TIP3 5715 7.761 -18.059 -5.502 1.00 0.00 WT3 H ATOM 42925 OH2 TIP3 5720 4.537 -1.652 -1.645 1.00 0.00 WT3 O ATOM 42926 H1 TIP3 5720 9.549 0.444 -21.331 1.00 0.00 WT3 H ATOM 42927 H2 TIP3 5720 12.243 -33.715 -2.521 1.00 0.00 WT3 H ATOM 42928 OH2 TIP3 5723 -2.372 2.421 -0.692 1.00 0.00 WT3 O ATOM 42929 H1 TIP3 5723 -29.009 17.692 -0.060 1.00 0.00 WT3 H ATOM 42930 H2 TIP3 5723 -0.134 -13.384 -25.963 1.00 0.00 WT3 H ATOM 42931 OH2 TIP3 5727 3.852 -2.600 0.987 1.00 0.00 WT3 O ATOM 42932 H1 TIP3 5727 5.120 -1.266 -4.566 1.00 0.00 WT3 H ATOM 42933 H2 TIP3 5727 7.049 0.786 -22.243 1.00 0.00 WT3 H ATOM 42934 OH2 TIP3 5733 6.332 -1.655 -0.866 1.00 0.00 WT3 O ATOM 42935 H1 TIP3 5733 8.990 -0.925 13.340 1.00 0.00 WT3 H ATOM 42936 H2 TIP3 5733 1.156 -9.058 35.821 1.00 0.00 WT3 H ATOM 42937 OH2 TIP3 5734 -2.849 -0.298 -2.556 1.00 0.00 WT3 O ATOM 42938 H1 TIP3 5734 -2.876 2.194 7.399 1.00 0.00 WT3 H ATOM 42939 H2 TIP3 5734 16.212 0.622 14.649 1.00 0.00 WT3 H ATOM 42940 OH2 TIP3 5736 6.338 -2.590 -4.818 1.00 0.00 WT3 O ATOM 42941 H1 TIP3 5736 -9.846 10.476 -22.973 1.00 0.00 WT3 H ATOM 42942 H2 TIP3 5736 -0.158 -15.828 -11.008 1.00 0.00 WT3 H ATOM 42943 OH2 TIP3 5738 -0.760 -1.192 -0.016 1.00 0.00 WT3 O ATOM 42944 H1 TIP3 5738 -9.949 -9.376 15.743 1.00 0.00 WT3 H ATOM 42945 H2 TIP3 5738 -12.076 -17.112 14.638 1.00 0.00 WT3 H ATOM 42946 OH2 TIP3 5744 -0.685 -1.361 3.926 1.00 0.00 WT3 O ATOM 42947 H1 TIP3 5744 -1.902 -19.873 -12.946 1.00 0.00 WT3 H ATOM 42948 H2 TIP3 5744 21.461 -2.584 3.708 1.00 0.00 WT3 H ATOM 42949 OH2 TIP3 5749 -8.780 -3.490 1.758 1.00 0.00 WT3 O ATOM 42950 H1 TIP3 5749 -6.472 8.755 7.744 1.00 0.00 WT3 H ATOM 42951 H2 TIP3 5749 -10.476 -13.052 24.728 1.00 0.00 WT3 H ATOM 42952 OH2 TIP3 5750 -0.287 0.164 1.208 1.00 0.00 WT3 O ATOM 42953 H1 TIP3 5750 -25.829 1.345 -23.033 1.00 0.00 WT3 H ATOM 42954 H2 TIP3 5750 -20.688 -2.622 -0.804 1.00 0.00 WT3 H ATOM 42955 OH2 TIP3 5753 -3.539 0.242 4.732 1.00 0.00 WT3 O ATOM 42956 H1 TIP3 5753 -4.333 -5.802 -0.580 1.00 0.00 WT3 H ATOM 42957 H2 TIP3 5753 13.429 -5.472 19.541 1.00 0.00 WT3 H ATOM 42958 OH2 TIP3 5754 0.606 -1.501 -5.393 1.00 0.00 WT3 O ATOM 42959 H1 TIP3 5754 23.107 9.912 -21.328 1.00 0.00 WT3 H ATOM 42960 H2 TIP3 5754 -21.633 -13.563 5.097 1.00 0.00 WT3 H ATOM 42961 OH2 TIP3 5755 1.795 -0.062 1.645 1.00 0.00 WT3 O ATOM 42962 H1 TIP3 5755 -6.872 -4.184 -15.828 1.00 0.00 WT3 H ATOM 42963 H2 TIP3 5755 18.433 10.429 -7.946 1.00 0.00 WT3 H ATOM 42964 OH2 TIP3 5756 -0.894 0.912 0.858 1.00 0.00 WT3 O ATOM 42965 H1 TIP3 5756 -0.829 3.691 -11.799 1.00 0.00 WT3 H ATOM 42966 H2 TIP3 5756 -2.112 -10.056 5.514 1.00 0.00 WT3 H ATOM 42967 OH2 TIP3 5757 -0.065 -5.312 -6.408 1.00 0.00 WT3 O ATOM 42968 H1 TIP3 5757 -17.772 13.640 -10.837 1.00 0.00 WT3 H ATOM 42969 H2 TIP3 5757 -10.015 -7.731 9.381 1.00 0.00 WT3 H ATOM 42970 OH2 TIP3 5758 -2.678 -2.636 -0.007 1.00 0.00 WT3 O ATOM 42971 H1 TIP3 5758 26.408 -19.814 12.443 1.00 0.00 WT3 H ATOM 42972 H2 TIP3 5758 -3.824 1.077 2.741 1.00 0.00 WT3 H ATOM 42973 OH2 TIP3 5764 -5.102 -7.207 7.118 1.00 0.00 WT3 O ATOM 42974 H1 TIP3 5764 -7.788 -13.533 7.131 1.00 0.00 WT3 H ATOM 42975 H2 TIP3 5764 14.730 7.883 20.558 1.00 0.00 WT3 H ATOM 42976 OH2 TIP3 5768 1.557 9.485 1.999 1.00 0.00 WT3 O ATOM 42977 H1 TIP3 5768 25.202 19.845 34.514 1.00 0.00 WT3 H ATOM 42978 H2 TIP3 5768 -5.612 -0.703 -4.164 1.00 0.00 WT3 H ATOM 42979 OH2 TIP3 5772 4.667 -2.742 -3.298 1.00 0.00 WT3 O ATOM 42980 H1 TIP3 5772 5.297 -4.503 -9.034 1.00 0.00 WT3 H ATOM 42981 H2 TIP3 5772 -3.061 11.480 -5.317 1.00 0.00 WT3 H ATOM 42982 OH2 TIP3 5774 0.809 -5.534 -0.572 1.00 0.00 WT3 O ATOM 42983 H1 TIP3 5774 1.900 -4.909 -1.111 1.00 0.00 WT3 H ATOM 42984 H2 TIP3 5774 17.892 15.768 29.801 1.00 0.00 WT3 H ATOM 42985 OH2 TIP3 5776 -3.522 -3.178 4.083 1.00 0.00 WT3 O ATOM 42986 H1 TIP3 5776 14.960 15.920 9.599 1.00 0.00 WT3 H ATOM 42987 H2 TIP3 5776 -1.698 -1.872 4.988 1.00 0.00 WT3 H ATOM 42988 OH2 TIP3 5777 -2.206 -6.134 -0.128 1.00 0.00 WT3 O ATOM 42989 H1 TIP3 5777 -0.757 -6.598 -0.919 1.00 0.00 WT3 H ATOM 42990 H2 TIP3 5777 -3.758 -3.019 -5.441 1.00 0.00 WT3 H ATOM 42991 OH2 TIP3 5778 1.171 -0.085 1.807 1.00 0.00 WT3 O ATOM 42992 H1 TIP3 5778 -2.419 7.895 4.549 1.00 0.00 WT3 H ATOM 42993 H2 TIP3 5778 -9.751 23.237 9.574 1.00 0.00 WT3 H ATOM 42994 OH2 TIP3 5779 0.500 0.371 -2.324 1.00 0.00 WT3 O ATOM 42995 H1 TIP3 5779 0.605 -1.779 -4.842 1.00 0.00 WT3 H ATOM 42996 H2 TIP3 5779 4.827 6.846 1.597 1.00 0.00 WT3 H ATOM 42997 OH2 TIP3 5780 1.644 0.777 -1.062 1.00 0.00 WT3 O ATOM 42998 H1 TIP3 5780 11.250 2.295 8.361 1.00 0.00 WT3 H ATOM 42999 H2 TIP3 5780 -3.875 1.830 -5.440 1.00 0.00 WT3 H ATOM 43000 OH2 TIP3 5781 5.379 -3.027 -0.564 1.00 0.00 WT3 O ATOM 43001 H1 TIP3 5781 23.494 24.336 1.790 1.00 0.00 WT3 H ATOM 43002 H2 TIP3 5781 -28.653 26.164 -10.067 1.00 0.00 WT3 H ATOM 43003 OH2 TIP3 5782 7.652 -4.312 0.811 1.00 0.00 WT3 O ATOM 43004 H1 TIP3 5782 12.261 -3.948 4.566 1.00 0.00 WT3 H ATOM 43005 H2 TIP3 5782 6.505 -3.755 -0.474 1.00 0.00 WT3 H ATOM 43006 OH2 TIP3 5787 5.284 0.939 5.618 1.00 0.00 WT3 O ATOM 43007 H1 TIP3 5787 6.793 2.088 7.428 1.00 0.00 WT3 H ATOM 43008 H2 TIP3 5787 6.519 8.855 -11.673 1.00 0.00 WT3 H ATOM 43009 OH2 TIP3 5790 4.796 3.691 -3.782 1.00 0.00 WT3 O ATOM 43010 H1 TIP3 5790 -25.395 25.250 -8.135 1.00 0.00 WT3 H ATOM 43011 H2 TIP3 5790 3.298 10.515 9.210 1.00 0.00 WT3 H ATOM 43012 OH2 TIP3 5795 -2.592 6.093 1.530 1.00 0.00 WT3 O ATOM 43013 H1 TIP3 5795 9.467 13.032 0.813 1.00 0.00 WT3 H ATOM 43014 H2 TIP3 5795 3.258 9.457 1.427 1.00 0.00 WT3 H ATOM 43015 OH2 TIP3 5797 -2.888 -0.956 -3.797 1.00 0.00 WT3 O ATOM 43016 H1 TIP3 5797 -1.928 -1.005 -5.058 1.00 0.00 WT3 H ATOM 43017 H2 TIP3 5797 0.831 -9.340 8.654 1.00 0.00 WT3 H ATOM 43018 OH2 TIP3 5798 -2.540 2.197 1.720 1.00 0.00 WT3 O ATOM 43019 H1 TIP3 5798 5.037 -0.043 1.219 1.00 0.00 WT3 H ATOM 43020 H2 TIP3 5798 -9.756 2.510 17.302 1.00 0.00 WT3 H ATOM 43021 OH2 TIP3 5799 -4.157 -2.022 2.318 1.00 0.00 WT3 O ATOM 43022 H1 TIP3 5799 -25.219 -2.130 0.401 1.00 0.00 WT3 H ATOM 43023 H2 TIP3 5799 2.209 -1.698 -19.456 1.00 0.00 WT3 H ATOM 43024 OH2 TIP3 5800 1.466 -0.672 0.075 1.00 0.00 WT3 O ATOM 43025 H1 TIP3 5800 18.498 15.917 -9.715 1.00 0.00 WT3 H ATOM 43026 H2 TIP3 5800 -2.419 27.690 7.102 1.00 0.00 WT3 H ATOM 43027 OH2 TIP3 5801 0.742 -1.732 0.801 1.00 0.00 WT3 O ATOM 43028 H1 TIP3 5801 -19.138 -1.579 9.811 1.00 0.00 WT3 H ATOM 43029 H2 TIP3 5801 -9.145 9.055 -17.476 1.00 0.00 WT3 H ATOM 43030 OH2 TIP3 5802 0.479 -3.339 -4.312 1.00 0.00 WT3 O ATOM 43031 H1 TIP3 5802 16.040 18.071 -7.232 1.00 0.00 WT3 H ATOM 43032 H2 TIP3 5802 -8.815 -2.033 8.958 1.00 0.00 WT3 H ATOM 43033 OH2 TIP3 5803 -7.286 -3.356 0.078 1.00 0.00 WT3 O ATOM 43034 H1 TIP3 5803 -6.977 -6.571 -1.984 1.00 0.00 WT3 H ATOM 43035 H2 TIP3 5803 4.253 -29.625 -2.411 1.00 0.00 WT3 H ATOM 43036 OH2 TIP3 5808 -1.300 2.416 3.223 1.00 0.00 WT3 O ATOM 43037 H1 TIP3 5808 -17.113 -11.069 -2.166 1.00 0.00 WT3 H ATOM 43038 H2 TIP3 5808 12.601 14.195 7.740 1.00 0.00 WT3 H ATOM 43039 OH2 TIP3 5809 1.520 4.066 -6.814 1.00 0.00 WT3 O ATOM 43040 H1 TIP3 5809 14.134 -5.839 15.925 1.00 0.00 WT3 H ATOM 43041 H2 TIP3 5809 -0.332 -25.989 -13.927 1.00 0.00 WT3 H ATOM 43042 OH2 TIP3 5810 -5.509 2.606 1.855 1.00 0.00 WT3 O ATOM 43043 H1 TIP3 5810 -21.418 5.899 -9.835 1.00 0.00 WT3 H ATOM 43044 H2 TIP3 5810 2.475 -1.362 20.649 1.00 0.00 WT3 H ATOM 43045 OH2 TIP3 5812 -1.359 -2.042 -5.841 1.00 0.00 WT3 O ATOM 43046 H1 TIP3 5812 2.947 1.134 -3.245 1.00 0.00 WT3 H ATOM 43047 H2 TIP3 5812 17.122 -0.192 7.827 1.00 0.00 WT3 H ATOM 43048 OH2 TIP3 5813 1.106 -1.977 -5.132 1.00 0.00 WT3 O ATOM 43049 H1 TIP3 5813 4.502 -0.241 12.187 1.00 0.00 WT3 H ATOM 43050 H2 TIP3 5813 9.347 -4.978 15.169 1.00 0.00 WT3 H ATOM 43051 OH2 TIP3 5814 -3.281 -2.683 -2.070 1.00 0.00 WT3 O ATOM 43052 H1 TIP3 5814 -0.256 12.866 -24.208 1.00 0.00 WT3 H ATOM 43053 H2 TIP3 5814 -8.029 10.553 20.284 1.00 0.00 WT3 H ATOM 43054 OH2 TIP3 5815 7.239 -2.119 -2.123 1.00 0.00 WT3 O ATOM 43055 H1 TIP3 5815 2.300 -15.174 -2.129 1.00 0.00 WT3 H ATOM 43056 H2 TIP3 5815 5.793 -3.494 -17.141 1.00 0.00 WT3 H ATOM 43057 OH2 TIP3 5816 -0.848 -2.286 -2.222 1.00 0.00 WT3 O ATOM 43058 H1 TIP3 5816 3.185 -1.636 -4.231 1.00 0.00 WT3 H ATOM 43059 H2 TIP3 5816 -4.979 8.132 -10.847 1.00 0.00 WT3 H ATOM 43060 OH2 TIP3 5817 0.367 -1.732 2.402 1.00 0.00 WT3 O ATOM 43061 H1 TIP3 5817 4.141 10.913 -4.177 1.00 0.00 WT3 H ATOM 43062 H2 TIP3 5817 -9.528 22.662 24.982 1.00 0.00 WT3 H ATOM 43063 OH2 TIP3 5818 -1.069 8.511 -2.030 1.00 0.00 WT3 O ATOM 43064 H1 TIP3 5818 2.503 5.061 -7.748 1.00 0.00 WT3 H ATOM 43065 H2 TIP3 5818 -16.867 10.519 19.129 1.00 0.00 WT3 H ATOM 43066 OH2 TIP3 5819 -4.919 -6.436 -2.111 1.00 0.00 WT3 O ATOM 43067 H1 TIP3 5819 -23.421 6.886 12.120 1.00 0.00 WT3 H ATOM 43068 H2 TIP3 5819 11.123 0.511 -14.419 1.00 0.00 WT3 H ATOM 43069 OH2 TIP3 5820 0.782 -5.929 -0.625 1.00 0.00 WT3 O ATOM 43070 H1 TIP3 5820 12.561 11.330 8.047 1.00 0.00 WT3 H ATOM 43071 H2 TIP3 5820 -8.669 6.163 -1.256 1.00 0.00 WT3 H ATOM 43072 OH2 TIP3 5821 1.103 -4.866 -2.104 1.00 0.00 WT3 O ATOM 43073 H1 TIP3 5821 -16.733 -2.835 -1.717 1.00 0.00 WT3 H ATOM 43074 H2 TIP3 5821 -17.252 -12.285 15.473 1.00 0.00 WT3 H ATOM 43075 OH2 TIP3 5823 -1.676 -3.676 -4.559 1.00 0.00 WT3 O ATOM 43076 H1 TIP3 5823 13.293 1.122 -10.055 1.00 0.00 WT3 H ATOM 43077 H2 TIP3 5823 -16.272 -3.578 -14.346 1.00 0.00 WT3 H ATOM 43078 OH2 TIP3 5827 4.917 -7.589 0.549 1.00 0.00 WT3 O ATOM 43079 H1 TIP3 5827 -13.435 8.323 1.876 1.00 0.00 WT3 H ATOM 43080 H2 TIP3 5827 6.340 -9.670 17.962 1.00 0.00 WT3 H ATOM 43081 OH2 TIP3 5828 6.214 1.325 -3.442 1.00 0.00 WT3 O ATOM 43082 H1 TIP3 5828 6.377 33.667 -11.320 1.00 0.00 WT3 H ATOM 43083 H2 TIP3 5828 -0.680 10.778 23.396 1.00 0.00 WT3 H ATOM 43084 OH2 TIP3 5829 -3.255 -5.463 -5.031 1.00 0.00 WT3 O ATOM 43085 H1 TIP3 5829 10.897 4.827 -0.325 1.00 0.00 WT3 H ATOM 43086 H2 TIP3 5829 2.499 2.292 -5.595 1.00 0.00 WT3 H ATOM 43087 OH2 TIP3 5830 1.823 -3.094 -0.955 1.00 0.00 WT3 O ATOM 43088 H1 TIP3 5830 5.931 -9.239 -17.862 1.00 0.00 WT3 H ATOM 43089 H2 TIP3 5830 3.416 -1.330 12.610 1.00 0.00 WT3 H ATOM 43090 OH2 TIP3 5832 2.259 -0.380 -1.375 1.00 0.00 WT3 O ATOM 43091 H1 TIP3 5832 4.649 1.416 9.343 1.00 0.00 WT3 H ATOM 43092 H2 TIP3 5832 24.462 -0.702 -4.861 1.00 0.00 WT3 H ATOM 43093 OH2 TIP3 5835 -2.570 -2.766 -7.772 1.00 0.00 WT3 O ATOM 43094 H1 TIP3 5835 -5.364 -3.803 -7.679 1.00 0.00 WT3 H ATOM 43095 H2 TIP3 5835 14.947 -34.050 -2.028 1.00 0.00 WT3 H ATOM 43096 OH2 TIP3 5836 0.913 2.054 -2.374 1.00 0.00 WT3 O ATOM 43097 H1 TIP3 5836 -28.467 3.389 21.425 1.00 0.00 WT3 H ATOM 43098 H2 TIP3 5836 -10.985 5.312 4.162 1.00 0.00 WT3 H ATOM 43099 OH2 TIP3 5837 1.915 3.036 -2.779 1.00 0.00 WT3 O ATOM 43100 H1 TIP3 5837 -9.837 6.726 11.073 1.00 0.00 WT3 H ATOM 43101 H2 TIP3 5837 -4.966 4.609 -16.083 1.00 0.00 WT3 H ATOM 43102 OH2 TIP3 5838 -1.377 9.625 -1.781 1.00 0.00 WT3 O ATOM 43103 H1 TIP3 5838 -10.616 -3.348 -3.374 1.00 0.00 WT3 H ATOM 43104 H2 TIP3 5838 -3.613 -15.048 -5.047 1.00 0.00 WT3 H ATOM 43105 OH2 TIP3 5839 1.855 9.939 -3.484 1.00 0.00 WT3 O ATOM 43106 H1 TIP3 5839 -10.456 -13.321 -2.045 1.00 0.00 WT3 H ATOM 43107 H2 TIP3 5839 0.249 11.354 0.651 1.00 0.00 WT3 H ATOM 43108 OH2 TIP3 5840 1.393 0.209 -3.661 1.00 0.00 WT3 O ATOM 43109 H1 TIP3 5840 1.980 1.222 -7.108 1.00 0.00 WT3 H ATOM 43110 H2 TIP3 5840 -9.068 10.295 4.757 1.00 0.00 WT3 H ATOM 43111 OH2 TIP3 5841 0.772 1.158 1.789 1.00 0.00 WT3 O ATOM 43112 H1 TIP3 5841 3.598 -19.064 13.064 1.00 0.00 WT3 H ATOM 43113 H2 TIP3 5841 9.331 -0.359 -4.468 1.00 0.00 WT3 H ATOM 43114 OH2 TIP3 5842 -4.400 -0.115 0.971 1.00 0.00 WT3 O ATOM 43115 H1 TIP3 5842 -12.153 -14.981 -4.792 1.00 0.00 WT3 H ATOM 43116 H2 TIP3 5842 3.847 -7.002 -5.246 1.00 0.00 WT3 H ATOM 43117 OH2 TIP3 5843 -5.083 -4.552 8.688 1.00 0.00 WT3 O ATOM 43118 H1 TIP3 5843 4.522 1.883 22.791 1.00 0.00 WT3 H ATOM 43119 H2 TIP3 5843 -16.007 -4.478 15.570 1.00 0.00 WT3 H ATOM 43120 OH2 TIP3 5844 4.518 5.176 0.648 1.00 0.00 WT3 O ATOM 43121 H1 TIP3 5844 -0.737 -8.610 -12.286 1.00 0.00 WT3 H ATOM 43122 H2 TIP3 5844 7.406 -4.175 12.772 1.00 0.00 WT3 H ATOM 43123 OH2 TIP3 5845 -3.331 4.257 -3.107 1.00 0.00 WT3 O ATOM 43124 H1 TIP3 5845 0.068 5.724 -1.064 1.00 0.00 WT3 H ATOM 43125 H2 TIP3 5845 -12.634 -2.515 -12.980 1.00 0.00 WT3 H ATOM 43126 OH2 TIP3 5846 4.943 -3.480 3.634 1.00 0.00 WT3 O ATOM 43127 H1 TIP3 5846 -8.657 6.594 13.034 1.00 0.00 WT3 H ATOM 43128 H2 TIP3 5846 -22.000 17.779 -3.048 1.00 0.00 WT3 H ATOM 43129 OH2 TIP3 5848 -4.014 -1.930 0.555 1.00 0.00 WT3 O ATOM 43130 H1 TIP3 5848 -1.896 -7.884 0.178 1.00 0.00 WT3 H ATOM 43131 H2 TIP3 5848 -2.023 2.007 -4.028 1.00 0.00 WT3 H ATOM 43132 OH2 TIP3 5850 -7.093 -0.306 -0.151 1.00 0.00 WT3 O ATOM 43133 H1 TIP3 5850 -30.222 8.431 10.553 1.00 0.00 WT3 H ATOM 43134 H2 TIP3 5850 3.906 16.723 -2.652 1.00 0.00 WT3 H ATOM 43135 OH2 TIP3 5851 6.759 2.635 3.932 1.00 0.00 WT3 O ATOM 43136 H1 TIP3 5851 -9.644 9.852 0.544 1.00 0.00 WT3 H ATOM 43137 H2 TIP3 5851 -4.145 2.922 -3.458 1.00 0.00 WT3 H ATOM 43138 OH2 TIP3 5853 -8.918 -6.049 -3.931 1.00 0.00 WT3 O ATOM 43139 H1 TIP3 5853 -24.197 1.605 12.596 1.00 0.00 WT3 H ATOM 43140 H2 TIP3 5853 -0.842 8.414 -5.467 1.00 0.00 WT3 H ATOM 43141 OH2 TIP3 5854 -3.726 -6.255 -0.535 1.00 0.00 WT3 O ATOM 43142 H1 TIP3 5854 -4.187 2.923 1.447 1.00 0.00 WT3 H ATOM 43143 H2 TIP3 5854 0.194 21.847 32.587 1.00 0.00 WT3 H ATOM 43144 OH2 TIP3 5855 0.905 -3.970 -6.252 1.00 0.00 WT3 O ATOM 43145 H1 TIP3 5855 11.850 -9.791 0.492 1.00 0.00 WT3 H ATOM 43146 H2 TIP3 5855 18.691 -11.937 0.707 1.00 0.00 WT3 H ATOM 43147 OH2 TIP3 5856 1.246 4.518 -4.560 1.00 0.00 WT3 O ATOM 43148 H1 TIP3 5856 -1.143 -4.190 0.970 1.00 0.00 WT3 H ATOM 43149 H2 TIP3 5856 -0.019 -2.430 -3.454 1.00 0.00 WT3 H ATOM 43150 OH2 TIP3 5857 3.595 4.482 2.360 1.00 0.00 WT3 O ATOM 43151 H1 TIP3 5857 4.457 16.888 -0.230 1.00 0.00 WT3 H ATOM 43152 H2 TIP3 5857 15.483 -22.141 12.347 1.00 0.00 WT3 H ATOM 43153 OH2 TIP3 5858 5.173 7.802 6.979 1.00 0.00 WT3 O ATOM 43154 H1 TIP3 5858 21.824 1.277 -6.521 1.00 0.00 WT3 H ATOM 43155 H2 TIP3 5858 -8.815 21.074 11.816 1.00 0.00 WT3 H ATOM 43156 OH2 TIP3 5859 1.277 2.629 -0.936 1.00 0.00 WT3 O ATOM 43157 H1 TIP3 5859 8.765 -1.301 34.051 1.00 0.00 WT3 H ATOM 43158 H2 TIP3 5859 2.106 -4.710 25.658 1.00 0.00 WT3 H ATOM 43159 OH2 TIP3 5860 -3.281 -2.118 -0.584 1.00 0.00 WT3 O ATOM 43160 H1 TIP3 5860 -3.594 13.665 -10.311 1.00 0.00 WT3 H ATOM 43161 H2 TIP3 5860 16.254 -26.469 4.494 1.00 0.00 WT3 H ATOM 43162 OH2 TIP3 5861 6.242 5.972 4.687 1.00 0.00 WT3 O ATOM 43163 H1 TIP3 5861 -4.501 2.305 -2.072 1.00 0.00 WT3 H ATOM 43164 H2 TIP3 5861 -21.696 -5.348 -14.976 1.00 0.00 WT3 H ATOM 43165 OH2 TIP3 5862 5.139 4.320 2.041 1.00 0.00 WT3 O ATOM 43166 H1 TIP3 5862 7.085 -2.671 8.121 1.00 0.00 WT3 H ATOM 43167 H2 TIP3 5862 1.419 15.913 -10.253 1.00 0.00 WT3 H ATOM 43168 OH2 TIP3 5863 6.702 1.387 3.488 1.00 0.00 WT3 O ATOM 43169 H1 TIP3 5863 8.220 0.336 0.751 1.00 0.00 WT3 H ATOM 43170 H2 TIP3 5863 10.603 7.025 1.276 1.00 0.00 WT3 H ATOM 43171 OH2 TIP3 5864 -2.209 1.078 -0.585 1.00 0.00 WT3 O ATOM 43172 H1 TIP3 5864 13.050 16.063 -6.217 1.00 0.00 WT3 H ATOM 43173 H2 TIP3 5864 -20.815 -12.727 -8.002 1.00 0.00 WT3 H ATOM 43174 OH2 TIP3 5865 0.333 2.541 1.745 1.00 0.00 WT3 O ATOM 43175 H1 TIP3 5865 -14.426 1.488 19.780 1.00 0.00 WT3 H ATOM 43176 H2 TIP3 5865 17.170 -0.273 -0.516 1.00 0.00 WT3 H ATOM 43177 OH2 TIP3 5866 -1.315 -0.230 -3.307 1.00 0.00 WT3 O ATOM 43178 H1 TIP3 5866 -2.449 -1.493 -11.111 1.00 0.00 WT3 H ATOM 43179 H2 TIP3 5866 1.286 1.036 5.731 1.00 0.00 WT3 H ATOM 43180 OH2 TIP3 5868 -5.442 -1.914 3.709 1.00 0.00 WT3 O ATOM 43181 H1 TIP3 5868 -3.446 -2.328 2.272 1.00 0.00 WT3 H ATOM 43182 H2 TIP3 5868 2.636 -3.652 -1.919 1.00 0.00 WT3 H ATOM 43183 OH2 TIP3 5870 0.299 2.165 0.209 1.00 0.00 WT3 O ATOM 43184 H1 TIP3 5870 11.863 14.830 16.408 1.00 0.00 WT3 H ATOM 43185 H2 TIP3 5870 -7.726 -23.802 4.339 1.00 0.00 WT3 H ATOM 43186 OH2 TIP3 5871 4.475 7.643 2.035 1.00 0.00 WT3 O ATOM 43187 H1 TIP3 5871 -18.435 1.539 1.291 1.00 0.00 WT3 H ATOM 43188 H2 TIP3 5871 -24.793 22.274 -31.708 1.00 0.00 WT3 H ATOM 43189 OH2 TIP3 5872 1.488 -1.300 2.830 1.00 0.00 WT3 O ATOM 43190 H1 TIP3 5872 5.272 20.441 15.147 1.00 0.00 WT3 H ATOM 43191 H2 TIP3 5872 -0.803 -10.211 -6.409 1.00 0.00 WT3 H ATOM 43192 OH2 TIP3 5874 -11.178 3.514 -4.384 1.00 0.00 WT3 O ATOM 43193 H1 TIP3 5874 -28.646 6.693 3.868 1.00 0.00 WT3 H ATOM 43194 H2 TIP3 5874 -2.253 -24.960 5.219 1.00 0.00 WT3 H ATOM 43195 OH2 TIP3 5875 7.199 -1.793 4.529 1.00 0.00 WT3 O ATOM 43196 H1 TIP3 5875 6.610 -2.988 2.756 1.00 0.00 WT3 H ATOM 43197 H2 TIP3 5875 2.071 -5.538 1.222 1.00 0.00 WT3 H ATOM 43198 OH2 TIP3 5876 0.610 7.265 0.152 1.00 0.00 WT3 O ATOM 43199 H1 TIP3 5876 -22.621 -9.449 17.559 1.00 0.00 WT3 H ATOM 43200 H2 TIP3 5876 -38.665 -15.281 33.816 1.00 0.00 WT3 H ATOM 43201 OH2 TIP3 5877 -8.658 -2.721 -0.856 1.00 0.00 WT3 O ATOM 43202 H1 TIP3 5877 -13.902 20.101 -15.875 1.00 0.00 WT3 H ATOM 43203 H2 TIP3 5877 20.150 6.211 -0.334 1.00 0.00 WT3 H ATOM 43204 OH2 TIP3 5878 -4.729 -3.523 -3.354 1.00 0.00 WT3 O ATOM 43205 H1 TIP3 5878 9.887 2.165 3.403 1.00 0.00 WT3 H ATOM 43206 H2 TIP3 5878 15.546 15.413 -29.960 1.00 0.00 WT3 H ATOM 43207 OH2 TIP3 5879 0.309 -0.214 -1.747 1.00 0.00 WT3 O ATOM 43208 H1 TIP3 5879 11.801 12.023 1.069 1.00 0.00 WT3 H ATOM 43209 H2 TIP3 5879 15.239 17.390 -6.414 1.00 0.00 WT3 H ATOM 43210 OH2 TIP3 5880 -1.001 -0.947 -4.050 1.00 0.00 WT3 O ATOM 43211 H1 TIP3 5880 5.798 -10.112 2.221 1.00 0.00 WT3 H ATOM 43212 H2 TIP3 5880 22.902 -18.791 -4.760 1.00 0.00 WT3 H ATOM 43213 OH2 TIP3 5881 -4.941 4.011 -2.826 1.00 0.00 WT3 O ATOM 43214 H1 TIP3 5881 3.322 -2.058 -4.036 1.00 0.00 WT3 H ATOM 43215 H2 TIP3 5881 1.572 16.657 -9.382 1.00 0.00 WT3 H ATOM 43216 OH2 TIP3 5882 1.985 -1.170 1.836 1.00 0.00 WT3 O ATOM 43217 H1 TIP3 5882 -10.034 -2.359 2.398 1.00 0.00 WT3 H ATOM 43218 H2 TIP3 5882 -2.745 -6.226 3.129 1.00 0.00 WT3 H ATOM 43219 OH2 TIP3 5883 2.423 10.128 -2.551 1.00 0.00 WT3 O ATOM 43220 H1 TIP3 5883 9.254 -22.272 6.018 1.00 0.00 WT3 H ATOM 43221 H2 TIP3 5883 9.958 -16.575 -4.543 1.00 0.00 WT3 H ATOM 43222 OH2 TIP3 5884 6.655 -5.656 4.678 1.00 0.00 WT3 O ATOM 43223 H1 TIP3 5884 5.854 -5.154 8.684 1.00 0.00 WT3 H ATOM 43224 H2 TIP3 5884 7.622 -0.645 1.586 1.00 0.00 WT3 H ATOM 43225 OH2 TIP3 5886 -0.898 2.553 -4.747 1.00 0.00 WT3 O ATOM 43226 H1 TIP3 5886 -1.325 8.535 -17.058 1.00 0.00 WT3 H ATOM 43227 H2 TIP3 5886 -3.744 6.546 10.842 1.00 0.00 WT3 H ATOM 43228 OH2 TIP3 5887 1.689 -0.035 -6.428 1.00 0.00 WT3 O ATOM 43229 H1 TIP3 5887 -5.762 2.390 -5.382 1.00 0.00 WT3 H ATOM 43230 H2 TIP3 5887 9.896 4.678 -6.324 1.00 0.00 WT3 H ATOM 43231 OH2 TIP3 5888 0.916 -2.501 2.911 1.00 0.00 WT3 O ATOM 43232 H1 TIP3 5888 5.004 -9.260 5.478 1.00 0.00 WT3 H ATOM 43233 H2 TIP3 5888 5.382 4.208 1.755 1.00 0.00 WT3 H ATOM 43234 OH2 TIP3 5889 4.010 1.707 -4.455 1.00 0.00 WT3 O ATOM 43235 H1 TIP3 5889 -5.692 -19.530 -5.590 1.00 0.00 WT3 H ATOM 43236 H2 TIP3 5889 7.260 2.231 -13.572 1.00 0.00 WT3 H ATOM 43237 OH2 TIP3 5890 1.439 1.722 0.531 1.00 0.00 WT3 O ATOM 43238 H1 TIP3 5890 13.309 21.440 16.069 1.00 0.00 WT3 H ATOM 43239 H2 TIP3 5890 10.146 11.388 -2.280 1.00 0.00 WT3 H ATOM 43240 OH2 TIP3 5891 1.372 1.081 -2.039 1.00 0.00 WT3 O ATOM 43241 H1 TIP3 5891 8.091 -5.519 -24.168 1.00 0.00 WT3 H ATOM 43242 H2 TIP3 5891 15.875 -6.664 -11.658 1.00 0.00 WT3 H ATOM 43243 OH2 TIP3 5892 2.540 -1.487 8.879 1.00 0.00 WT3 O ATOM 43244 H1 TIP3 5892 2.485 11.825 -1.649 1.00 0.00 WT3 H ATOM 43245 H2 TIP3 5892 3.747 24.370 22.487 1.00 0.00 WT3 H ATOM 43246 OH2 TIP3 5893 1.449 -0.418 2.113 1.00 0.00 WT3 O ATOM 43247 H1 TIP3 5893 6.812 6.803 12.531 1.00 0.00 WT3 H ATOM 43248 H2 TIP3 5893 1.387 4.893 -1.156 1.00 0.00 WT3 H ATOM 43249 OH2 TIP3 5894 -2.438 2.874 3.341 1.00 0.00 WT3 O ATOM 43250 H1 TIP3 5894 -4.982 0.177 -7.915 1.00 0.00 WT3 H ATOM 43251 H2 TIP3 5894 4.764 -4.070 -11.510 1.00 0.00 WT3 H ATOM 43252 OH2 TIP3 5895 -2.606 -0.802 2.540 1.00 0.00 WT3 O ATOM 43253 H1 TIP3 5895 -12.426 7.856 12.961 1.00 0.00 WT3 H ATOM 43254 H2 TIP3 5895 1.271 4.684 -3.997 1.00 0.00 WT3 H ATOM 43255 OH2 TIP3 5898 2.139 1.986 3.709 1.00 0.00 WT3 O ATOM 43256 H1 TIP3 5898 -20.861 -26.113 13.693 1.00 0.00 WT3 H ATOM 43257 H2 TIP3 5898 -3.022 0.472 5.950 1.00 0.00 WT3 H ATOM 43258 OH2 TIP3 5899 4.257 -4.239 0.059 1.00 0.00 WT3 O ATOM 43259 H1 TIP3 5899 -2.959 -6.578 -2.275 1.00 0.00 WT3 H ATOM 43260 H2 TIP3 5899 -2.260 -6.290 -12.953 1.00 0.00 WT3 H ATOM 43261 OH2 TIP3 5900 0.670 -3.536 9.896 1.00 0.00 WT3 O ATOM 43262 H1 TIP3 5900 -12.632 12.569 1.424 1.00 0.00 WT3 H ATOM 43263 H2 TIP3 5900 -0.598 -9.690 -11.832 1.00 0.00 WT3 H ATOM 43264 OH2 TIP3 5901 3.111 -5.024 0.747 1.00 0.00 WT3 O ATOM 43265 H1 TIP3 5901 2.663 -1.978 1.697 1.00 0.00 WT3 H ATOM 43266 H2 TIP3 5901 0.775 -8.563 -0.762 1.00 0.00 WT3 H ATOM 43267 OH2 TIP3 5902 3.657 -9.074 4.672 1.00 0.00 WT3 O ATOM 43268 H1 TIP3 5902 -10.800 -20.510 2.659 1.00 0.00 WT3 H ATOM 43269 H2 TIP3 5902 7.611 -2.874 5.753 1.00 0.00 WT3 H ATOM 43270 OH2 TIP3 5903 1.605 -7.687 -2.108 1.00 0.00 WT3 O ATOM 43271 H1 TIP3 5903 0.542 -8.930 -3.284 1.00 0.00 WT3 H ATOM 43272 H2 TIP3 5903 -13.954 2.058 -10.839 1.00 0.00 WT3 H ATOM 43273 OH2 TIP3 5906 5.202 1.842 2.497 1.00 0.00 WT3 O ATOM 43274 H1 TIP3 5906 12.025 7.300 -4.744 1.00 0.00 WT3 H ATOM 43275 H2 TIP3 5906 4.509 15.594 -18.946 1.00 0.00 WT3 H ATOM 43276 OH2 TIP3 5907 -1.854 0.516 -5.012 1.00 0.00 WT3 O ATOM 43277 H1 TIP3 5907 6.901 9.169 1.675 1.00 0.00 WT3 H ATOM 43278 H2 TIP3 5907 3.919 -4.589 -4.724 1.00 0.00 WT3 H ATOM 43279 OH2 TIP3 5909 10.870 7.185 2.460 1.00 0.00 WT3 O ATOM 43280 H1 TIP3 5909 11.459 17.483 23.587 1.00 0.00 WT3 H ATOM 43281 H2 TIP3 5909 -10.918 8.025 -4.201 1.00 0.00 WT3 H ATOM 43282 OH2 TIP3 5910 4.476 -0.708 6.137 1.00 0.00 WT3 O ATOM 43283 H1 TIP3 5910 -13.164 36.008 9.085 1.00 0.00 WT3 H ATOM 43284 H2 TIP3 5910 -6.782 -0.247 6.671 1.00 0.00 WT3 H ATOM 43285 OH2 TIP3 5911 -4.763 6.485 -2.253 1.00 0.00 WT3 O ATOM 43286 H1 TIP3 5911 17.846 17.234 9.947 1.00 0.00 WT3 H ATOM 43287 H2 TIP3 5911 -5.170 5.961 1.238 1.00 0.00 WT3 H ATOM 43288 OH2 TIP3 5912 -4.480 -1.279 -3.594 1.00 0.00 WT3 O ATOM 43289 H1 TIP3 5912 -3.458 12.189 -10.426 1.00 0.00 WT3 H ATOM 43290 H2 TIP3 5912 0.984 -15.481 -16.171 1.00 0.00 WT3 H ATOM 43291 OH2 TIP3 5913 -1.267 -1.811 -5.314 1.00 0.00 WT3 O ATOM 43292 H1 TIP3 5913 3.848 17.866 -8.403 1.00 0.00 WT3 H ATOM 43293 H2 TIP3 5913 -6.311 -21.574 -2.786 1.00 0.00 WT3 H ATOM 43294 OH2 TIP3 5916 2.633 -3.607 0.578 1.00 0.00 WT3 O ATOM 43295 H1 TIP3 5916 -7.596 7.299 1.610 1.00 0.00 WT3 H ATOM 43296 H2 TIP3 5916 -10.563 -5.035 0.920 1.00 0.00 WT3 H ATOM 43297 OH2 TIP3 5917 1.477 0.770 0.241 1.00 0.00 WT3 O ATOM 43298 H1 TIP3 5917 8.485 17.591 -6.997 1.00 0.00 WT3 H ATOM 43299 H2 TIP3 5917 1.414 -6.361 33.722 1.00 0.00 WT3 H ATOM 43300 OH2 TIP3 5918 -0.780 6.492 -1.290 1.00 0.00 WT3 O ATOM 43301 H1 TIP3 5918 -4.940 11.532 -2.136 1.00 0.00 WT3 H ATOM 43302 H2 TIP3 5918 6.789 5.236 0.641 1.00 0.00 WT3 H ATOM 43303 OH2 TIP3 5919 2.304 -1.429 6.694 1.00 0.00 WT3 O ATOM 43304 H1 TIP3 5919 -9.075 -5.604 10.625 1.00 0.00 WT3 H ATOM 43305 H2 TIP3 5919 3.482 2.978 11.226 1.00 0.00 WT3 H ATOM 43306 OH2 TIP3 5920 -6.977 2.761 -3.650 1.00 0.00 WT3 O ATOM 43307 H1 TIP3 5920 -21.231 -22.798 5.000 1.00 0.00 WT3 H ATOM 43308 H2 TIP3 5920 -7.928 10.054 -10.642 1.00 0.00 WT3 H ATOM 43309 OH2 TIP3 5921 -3.282 -4.051 -2.885 1.00 0.00 WT3 O ATOM 43310 H1 TIP3 5921 4.829 16.622 6.175 1.00 0.00 WT3 H ATOM 43311 H2 TIP3 5921 18.190 -6.356 -20.232 1.00 0.00 WT3 H ATOM 43312 OH2 TIP3 5922 -4.297 -6.143 2.466 1.00 0.00 WT3 O ATOM 43313 H1 TIP3 5922 4.411 -3.122 0.076 1.00 0.00 WT3 H ATOM 43314 H2 TIP3 5922 -7.821 -11.524 -7.268 1.00 0.00 WT3 H ATOM 43315 OH2 TIP3 5923 0.083 0.527 -0.444 1.00 0.00 WT3 O ATOM 43316 H1 TIP3 5923 -12.343 16.480 -7.357 1.00 0.00 WT3 H ATOM 43317 H2 TIP3 5923 -15.183 -9.985 12.076 1.00 0.00 WT3 H ATOM 43318 OH2 TIP3 5924 3.641 2.644 1.022 1.00 0.00 WT3 O ATOM 43319 H1 TIP3 5924 8.185 -0.628 -7.386 1.00 0.00 WT3 H ATOM 43320 H2 TIP3 5924 -1.214 6.893 8.853 1.00 0.00 WT3 H ATOM 43321 OH2 TIP3 5926 -3.965 1.984 -2.420 1.00 0.00 WT3 O ATOM 43322 H1 TIP3 5926 -7.341 22.483 7.467 1.00 0.00 WT3 H ATOM 43323 H2 TIP3 5926 4.164 -6.130 2.577 1.00 0.00 WT3 H ATOM 43324 OH2 TIP3 5931 -1.537 -1.081 7.957 1.00 0.00 WT3 O ATOM 43325 H1 TIP3 5931 5.184 8.248 20.029 1.00 0.00 WT3 H ATOM 43326 H2 TIP3 5931 -31.419 -16.807 -3.255 1.00 0.00 WT3 H ATOM 43327 OH2 TIP3 5932 4.984 -3.977 1.821 1.00 0.00 WT3 O ATOM 43328 H1 TIP3 5932 3.294 -1.275 0.281 1.00 0.00 WT3 H ATOM 43329 H2 TIP3 5932 4.570 -17.156 -11.477 1.00 0.00 WT3 H ATOM 43330 OH2 TIP3 5934 4.500 -0.222 4.369 1.00 0.00 WT3 O ATOM 43331 H1 TIP3 5934 -0.610 4.128 -7.093 1.00 0.00 WT3 H ATOM 43332 H2 TIP3 5934 -6.253 -7.009 0.389 1.00 0.00 WT3 H ATOM 43333 OH2 TIP3 5935 2.977 -5.734 1.133 1.00 0.00 WT3 O ATOM 43334 H1 TIP3 5935 -11.209 -8.895 -8.516 1.00 0.00 WT3 H ATOM 43335 H2 TIP3 5935 -0.536 -5.655 -1.047 1.00 0.00 WT3 H ATOM 43336 OH2 TIP3 5936 -8.371 2.964 -2.302 1.00 0.00 WT3 O ATOM 43337 H1 TIP3 5936 -20.895 -10.020 -21.307 1.00 0.00 WT3 H ATOM 43338 H2 TIP3 5936 13.670 -1.664 -7.712 1.00 0.00 WT3 H ATOM 43339 OH2 TIP3 5938 -6.266 -0.875 -1.631 1.00 0.00 WT3 O ATOM 43340 H1 TIP3 5938 -13.083 -1.135 -11.366 1.00 0.00 WT3 H ATOM 43341 H2 TIP3 5938 36.044 -1.843 26.538 1.00 0.00 WT3 H ATOM 43342 OH2 TIP3 5939 -5.003 3.438 -0.839 1.00 0.00 WT3 O ATOM 43343 H1 TIP3 5939 -12.398 0.791 11.369 1.00 0.00 WT3 H ATOM 43344 H2 TIP3 5939 -13.672 8.438 2.833 1.00 0.00 WT3 H ATOM 43345 OH2 TIP3 5942 5.731 -0.457 -10.164 1.00 0.00 WT3 O ATOM 43346 H1 TIP3 5942 -19.186 -2.147 -10.841 1.00 0.00 WT3 H ATOM 43347 H2 TIP3 5942 -1.462 -26.094 7.218 1.00 0.00 WT3 H ATOM 43348 OH2 TIP3 5945 7.223 -0.113 -3.542 1.00 0.00 WT3 O ATOM 43349 H1 TIP3 5945 3.166 -9.531 10.136 1.00 0.00 WT3 H ATOM 43350 H2 TIP3 5945 4.508 -8.185 19.396 1.00 0.00 WT3 H ATOM 43351 OH2 TIP3 5948 9.253 1.362 3.137 1.00 0.00 WT3 O ATOM 43352 H1 TIP3 5948 6.398 8.776 10.558 1.00 0.00 WT3 H ATOM 43353 H2 TIP3 5948 -6.310 22.408 17.772 1.00 0.00 WT3 H ATOM 43354 OH2 TIP3 5949 3.693 2.802 0.592 1.00 0.00 WT3 O ATOM 43355 H1 TIP3 5949 29.771 -12.403 -19.117 1.00 0.00 WT3 H ATOM 43356 H2 TIP3 5949 -7.224 3.578 3.000 1.00 0.00 WT3 H ATOM 43357 OH2 TIP3 5951 -0.682 8.779 -1.847 1.00 0.00 WT3 O ATOM 43358 H1 TIP3 5951 4.092 -15.300 15.032 1.00 0.00 WT3 H ATOM 43359 H2 TIP3 5951 -13.730 27.256 -10.931 1.00 0.00 WT3 H ATOM 43360 OH2 TIP3 5952 3.218 -5.796 5.720 1.00 0.00 WT3 O ATOM 43361 H1 TIP3 5952 13.600 -13.689 2.863 1.00 0.00 WT3 H ATOM 43362 H2 TIP3 5952 5.307 12.091 12.998 1.00 0.00 WT3 H ATOM 43363 OH2 TIP3 5953 -2.992 1.835 3.085 1.00 0.00 WT3 O ATOM 43364 H1 TIP3 5953 5.625 19.926 17.168 1.00 0.00 WT3 H ATOM 43365 H2 TIP3 5953 -20.667 -5.419 17.385 1.00 0.00 WT3 H ATOM 43366 OH2 TIP3 5954 4.473 2.904 4.293 1.00 0.00 WT3 O ATOM 43367 H1 TIP3 5954 7.784 -16.786 17.731 1.00 0.00 WT3 H ATOM 43368 H2 TIP3 5954 -9.355 6.425 4.254 1.00 0.00 WT3 H ATOM 43369 OH2 TIP3 5955 4.681 -4.777 -2.267 1.00 0.00 WT3 O ATOM 43370 H1 TIP3 5955 1.835 -8.566 -10.839 1.00 0.00 WT3 H ATOM 43371 H2 TIP3 5955 4.293 -6.478 -0.154 1.00 0.00 WT3 H ATOM 43372 OH2 TIP3 5956 4.753 0.250 4.705 1.00 0.00 WT3 O ATOM 43373 H1 TIP3 5956 7.615 4.521 8.487 1.00 0.00 WT3 H ATOM 43374 H2 TIP3 5956 -2.226 -3.371 -1.024 1.00 0.00 WT3 H ATOM 43375 OH2 TIP3 5957 -2.609 1.772 -1.046 1.00 0.00 WT3 O ATOM 43376 H1 TIP3 5957 0.174 5.508 -7.759 1.00 0.00 WT3 H ATOM 43377 H2 TIP3 5957 -4.382 23.864 -11.505 1.00 0.00 WT3 H ATOM 43378 OH2 TIP3 5959 6.939 -1.143 0.355 1.00 0.00 WT3 O ATOM 43379 H1 TIP3 5959 9.578 -1.072 -8.270 1.00 0.00 WT3 H ATOM 43380 H2 TIP3 5959 15.365 2.428 -22.713 1.00 0.00 WT3 H ATOM 43381 OH2 TIP3 5965 6.706 -1.376 -3.006 1.00 0.00 WT3 O ATOM 43382 H1 TIP3 5965 21.777 -0.429 5.542 1.00 0.00 WT3 H ATOM 43383 H2 TIP3 5965 4.841 6.921 -5.940 1.00 0.00 WT3 H ATOM 43384 OH2 TIP3 5971 -10.174 -2.780 2.742 1.00 0.00 WT3 O ATOM 43385 H1 TIP3 5971 -21.950 -31.288 -30.045 1.00 0.00 WT3 H ATOM 43386 H2 TIP3 5971 -8.588 -5.485 -12.136 1.00 0.00 WT3 H ATOM 43387 OH2 TIP3 5972 0.748 4.129 9.662 1.00 0.00 WT3 O ATOM 43388 H1 TIP3 5972 0.820 7.565 9.636 1.00 0.00 WT3 H ATOM 43389 H2 TIP3 5972 0.280 1.388 9.675 1.00 0.00 WT3 H ATOM 43390 OH2 TIP3 5975 -3.344 -3.682 -2.458 1.00 0.00 WT3 O ATOM 43391 H1 TIP3 5975 -22.642 3.128 11.764 1.00 0.00 WT3 H ATOM 43392 H2 TIP3 5975 -1.982 -4.848 -8.579 1.00 0.00 WT3 H ATOM 43393 OH2 TIP3 5977 6.229 0.444 0.870 1.00 0.00 WT3 O ATOM 43394 H1 TIP3 5977 0.768 -8.238 17.024 1.00 0.00 WT3 H ATOM 43395 H2 TIP3 5977 2.711 4.050 4.754 1.00 0.00 WT3 H ATOM 43396 OH2 TIP3 5981 -1.464 1.824 -1.457 1.00 0.00 WT3 O ATOM 43397 H1 TIP3 5981 2.094 -16.231 -12.262 1.00 0.00 WT3 H ATOM 43398 H2 TIP3 5981 2.409 24.253 14.047 1.00 0.00 WT3 H ATOM 43399 OH2 TIP3 5983 -7.574 -1.006 2.897 1.00 0.00 WT3 O ATOM 43400 H1 TIP3 5983 -4.014 1.970 -9.373 1.00 0.00 WT3 H ATOM 43401 H2 TIP3 5983 -3.666 -1.808 -5.895 1.00 0.00 WT3 H ATOM 43402 OH2 TIP3 5985 -1.782 8.028 -6.385 1.00 0.00 WT3 O ATOM 43403 H1 TIP3 5985 13.340 5.801 -2.041 1.00 0.00 WT3 H ATOM 43404 H2 TIP3 5985 -21.346 22.642 -8.672 1.00 0.00 WT3 H ATOM 43405 OH2 TIP3 5994 -3.629 0.546 3.901 1.00 0.00 WT3 O ATOM 43406 H1 TIP3 5994 -16.425 1.776 -4.783 1.00 0.00 WT3 H ATOM 43407 H2 TIP3 5994 8.900 -8.647 -8.595 1.00 0.00 WT3 H ATOM 43408 OH2 TIP3 5996 -0.158 -5.517 -6.521 1.00 0.00 WT3 O ATOM 43409 H1 TIP3 5996 6.357 -6.683 -8.850 1.00 0.00 WT3 H ATOM 43410 H2 TIP3 5996 11.553 -17.146 -2.035 1.00 0.00 WT3 H ATOM 43411 OH2 TIP3 6004 -5.682 2.916 0.658 1.00 0.00 WT3 O ATOM 43412 H1 TIP3 6004 -3.152 5.803 1.543 1.00 0.00 WT3 H ATOM 43413 H2 TIP3 6004 -8.544 -3.494 -0.811 1.00 0.00 WT3 H ATOM 43414 OH2 TIP3 6090 -0.903 -3.630 1.327 1.00 0.00 WT3 O ATOM 43415 H1 TIP3 6090 11.700 -4.656 5.015 1.00 0.00 WT3 H ATOM 43416 H2 TIP3 6090 4.822 -7.535 34.777 1.00 0.00 WT3 H ATOM 43417 OH2 TIP3 6091 -1.241 -4.803 1.150 1.00 0.00 WT3 O ATOM 43418 H1 TIP3 6091 -12.185 13.288 34.185 1.00 0.00 WT3 H ATOM 43419 H2 TIP3 6091 -4.214 10.664 26.963 1.00 0.00 WT3 H ATOM 43420 OH2 TIP3 6107 7.340 -3.743 1.743 1.00 0.00 WT3 O ATOM 43421 H1 TIP3 6107 20.472 5.397 -5.236 1.00 0.00 WT3 H ATOM 43422 H2 TIP3 6107 1.247 0.694 4.028 1.00 0.00 WT3 H ATOM 43423 OH2 TIP3 6110 0.860 -0.131 1.434 1.00 0.00 WT3 O ATOM 43424 H1 TIP3 6110 10.626 5.516 -10.806 1.00 0.00 WT3 H ATOM 43425 H2 TIP3 6110 9.995 -17.258 5.098 1.00 0.00 WT3 H ATOM 43426 OH2 TIP3 6126 2.701 2.606 0.260 1.00 0.00 WT3 O ATOM 43427 H1 TIP3 6126 -3.778 -3.043 15.911 1.00 0.00 WT3 H ATOM 43428 H2 TIP3 6126 21.184 -5.763 -2.651 1.00 0.00 WT3 H ATOM 43429 OH2 TIP3 6131 9.002 -1.715 7.356 1.00 0.00 WT3 O ATOM 43430 H1 TIP3 6131 -5.451 26.046 -2.887 1.00 0.00 WT3 H ATOM 43431 H2 TIP3 6131 11.253 1.243 -1.204 1.00 0.00 WT3 H ATOM 43432 OH2 TIP3 6134 3.376 -1.553 1.632 1.00 0.00 WT3 O ATOM 43433 H1 TIP3 6134 -28.404 -14.082 -14.199 1.00 0.00 WT3 H ATOM 43434 H2 TIP3 6134 -7.902 -6.203 -6.765 1.00 0.00 WT3 H ATOM 43435 OH2 TIP3 6136 0.167 -4.500 -5.245 1.00 0.00 WT3 O ATOM 43436 H1 TIP3 6136 -4.791 8.256 -1.615 1.00 0.00 WT3 H ATOM 43437 H2 TIP3 6136 -0.442 2.668 3.099 1.00 0.00 WT3 H ATOM 43438 OH2 TIP3 6138 3.058 3.013 -3.782 1.00 0.00 WT3 O ATOM 43439 H1 TIP3 6138 1.132 5.126 -11.239 1.00 0.00 WT3 H ATOM 43440 H2 TIP3 6138 5.384 -2.091 -14.414 1.00 0.00 WT3 H ATOM 43441 OH2 TIP3 6146 0.268 0.311 -3.382 1.00 0.00 WT3 O ATOM 43442 H1 TIP3 6146 2.209 -8.691 -10.006 1.00 0.00 WT3 H ATOM 43443 H2 TIP3 6146 3.445 4.348 12.884 1.00 0.00 WT3 H ATOM 43444 OH2 TIP3 6147 -7.729 4.420 -1.586 1.00 0.00 WT3 O ATOM 43445 H1 TIP3 6147 -7.975 5.150 1.252 1.00 0.00 WT3 H ATOM 43446 H2 TIP3 6147 -22.327 8.243 9.789 1.00 0.00 WT3 H ATOM 43447 OH2 TIP3 6157 3.898 0.147 9.235 1.00 0.00 WT3 O ATOM 43448 H1 TIP3 6157 6.646 8.417 -16.256 1.00 0.00 WT3 H ATOM 43449 H2 TIP3 6157 8.482 9.094 -18.776 1.00 0.00 WT3 H ATOM 43450 OH2 TIP3 6158 -2.248 2.443 3.276 1.00 0.00 WT3 O ATOM 43451 H1 TIP3 6158 -16.345 9.637 2.504 1.00 0.00 WT3 H ATOM 43452 H2 TIP3 6158 -4.284 -4.064 15.303 1.00 0.00 WT3 H ATOM 43453 OH2 TIP3 6163 -0.799 -2.860 0.346 1.00 0.00 WT3 O ATOM 43454 H1 TIP3 6163 -26.809 -18.110 -16.459 1.00 0.00 WT3 H ATOM 43455 H2 TIP3 6163 9.892 -5.742 -4.549 1.00 0.00 WT3 H ATOM 43456 OH2 TIP3 6166 4.828 -3.997 -1.577 1.00 0.00 WT3 O ATOM 43457 H1 TIP3 6166 -15.135 -11.112 1.441 1.00 0.00 WT3 H ATOM 43458 H2 TIP3 6166 2.949 12.552 -15.808 1.00 0.00 WT3 H ATOM 43459 OH2 TIP3 6174 -0.187 5.183 3.509 1.00 0.00 WT3 O ATOM 43460 H1 TIP3 6174 0.607 -2.554 21.186 1.00 0.00 WT3 H ATOM 43461 H2 TIP3 6174 -1.744 10.406 -11.203 1.00 0.00 WT3 H ATOM 43462 OH2 TIP3 6176 1.028 -7.237 -2.651 1.00 0.00 WT3 O ATOM 43463 H1 TIP3 6176 -7.257 5.584 -11.955 1.00 0.00 WT3 H ATOM 43464 H2 TIP3 6176 1.574 -1.506 -1.651 1.00 0.00 WT3 H ATOM 43465 OH2 TIP3 6177 -0.596 -0.640 -3.135 1.00 0.00 WT3 O ATOM 43466 H1 TIP3 6177 -6.073 -7.413 1.241 1.00 0.00 WT3 H ATOM 43467 H2 TIP3 6177 -8.937 -0.394 3.610 1.00 0.00 WT3 H ATOM 43468 OH2 TIP3 6178 -1.885 1.147 0.637 1.00 0.00 WT3 O ATOM 43469 H1 TIP3 6178 -6.836 5.946 7.333 1.00 0.00 WT3 H ATOM 43470 H2 TIP3 6178 -8.828 3.405 9.040 1.00 0.00 WT3 H ATOM 43471 OH2 TIP3 6179 -5.081 -0.595 -2.628 1.00 0.00 WT3 O ATOM 43472 H1 TIP3 6179 -0.931 -29.704 -12.761 1.00 0.00 WT3 H ATOM 43473 H2 TIP3 6179 -18.015 1.350 3.050 1.00 0.00 WT3 H ATOM 43474 OH2 TIP3 6181 3.174 2.497 0.431 1.00 0.00 WT3 O ATOM 43475 H1 TIP3 6181 13.821 10.440 8.236 1.00 0.00 WT3 H ATOM 43476 H2 TIP3 6181 -6.398 -6.130 14.868 1.00 0.00 WT3 H ATOM 43477 OH2 TIP3 6183 -0.726 -1.228 0.808 1.00 0.00 WT3 O ATOM 43478 H1 TIP3 6183 9.763 -0.521 9.867 1.00 0.00 WT3 H ATOM 43479 H2 TIP3 6183 7.801 4.407 -11.314 1.00 0.00 WT3 H ATOM 43480 OH2 TIP3 6189 2.377 1.640 -1.549 1.00 0.00 WT3 O ATOM 43481 H1 TIP3 6189 -2.439 7.045 -8.606 1.00 0.00 WT3 H ATOM 43482 H2 TIP3 6189 -10.539 -20.220 22.409 1.00 0.00 WT3 H ATOM 43483 OH2 TIP3 6192 -1.690 -2.816 2.760 1.00 0.00 WT3 O ATOM 43484 H1 TIP3 6192 -1.948 -0.204 29.306 1.00 0.00 WT3 H ATOM 43485 H2 TIP3 6192 3.488 2.734 11.855 1.00 0.00 WT3 H ATOM 43486 OH2 TIP3 6194 -3.456 -5.139 0.984 1.00 0.00 WT3 O ATOM 43487 H1 TIP3 6194 36.949 8.414 21.653 1.00 0.00 WT3 H ATOM 43488 H2 TIP3 6194 23.089 -2.583 -9.866 1.00 0.00 WT3 H ATOM 43489 OH2 TIP3 6195 2.570 0.739 -3.538 1.00 0.00 WT3 O ATOM 43490 H1 TIP3 6195 -25.820 7.872 -11.581 1.00 0.00 WT3 H ATOM 43491 H2 TIP3 6195 -26.965 -1.819 -27.660 1.00 0.00 WT3 H ATOM 43492 OH2 TIP3 6198 6.439 1.897 1.882 1.00 0.00 WT3 O ATOM 43493 H1 TIP3 6198 -15.284 -2.975 1.375 1.00 0.00 WT3 H ATOM 43494 H2 TIP3 6198 9.506 3.296 9.057 1.00 0.00 WT3 H ATOM 43495 OH2 TIP3 6199 -3.186 -7.984 -1.002 1.00 0.00 WT3 O ATOM 43496 H1 TIP3 6199 8.962 -17.777 9.901 1.00 0.00 WT3 H ATOM 43497 H2 TIP3 6199 -15.014 15.832 -3.509 1.00 0.00 WT3 H ATOM 43498 OH2 TIP3 6200 -1.837 -1.932 2.733 1.00 0.00 WT3 O ATOM 43499 H1 TIP3 6200 -8.947 18.428 -0.931 1.00 0.00 WT3 H ATOM 43500 H2 TIP3 6200 -13.224 -8.912 -9.207 1.00 0.00 WT3 H ATOM 43501 OH2 TIP3 6202 0.604 -3.507 -0.378 1.00 0.00 WT3 O ATOM 43502 H1 TIP3 6202 2.144 -4.610 -2.969 1.00 0.00 WT3 H ATOM 43503 H2 TIP3 6202 28.210 -3.944 -1.804 1.00 0.00 WT3 H ATOM 43504 OH2 TIP3 6203 2.924 0.744 -0.114 1.00 0.00 WT3 O ATOM 43505 H1 TIP3 6203 8.757 -3.922 -0.687 1.00 0.00 WT3 H ATOM 43506 H2 TIP3 6203 -3.457 21.231 1.380 1.00 0.00 WT3 H ATOM 43507 OH2 TIP3 6205 1.268 4.690 4.551 1.00 0.00 WT3 O ATOM 43508 H1 TIP3 6205 -4.558 -17.135 12.019 1.00 0.00 WT3 H ATOM 43509 H2 TIP3 6205 10.890 -24.934 -10.349 1.00 0.00 WT3 H ATOM 43510 OH2 TIP3 6207 2.820 -7.309 1.843 1.00 0.00 WT3 O ATOM 43511 H1 TIP3 6207 -14.758 2.675 14.436 1.00 0.00 WT3 H ATOM 43512 H2 TIP3 6207 14.150 0.648 8.025 1.00 0.00 WT3 H ATOM 43513 OH2 TIP3 6212 0.250 -1.580 -0.511 1.00 0.00 WT3 O ATOM 43514 H1 TIP3 6212 -7.504 2.641 3.517 1.00 0.00 WT3 H ATOM 43515 H2 TIP3 6212 14.954 0.560 -5.405 1.00 0.00 WT3 H ATOM 43516 OH2 TIP3 6213 -7.817 -1.164 -1.915 1.00 0.00 WT3 O ATOM 43517 H1 TIP3 6213 3.523 0.362 -22.307 1.00 0.00 WT3 H ATOM 43518 H2 TIP3 6213 0.035 2.830 -8.847 1.00 0.00 WT3 H ATOM 43519 OH2 TIP3 6214 -10.376 -0.422 -3.399 1.00 0.00 WT3 O ATOM 43520 H1 TIP3 6214 2.552 -17.040 24.389 1.00 0.00 WT3 H ATOM 43521 H2 TIP3 6214 -6.767 -13.169 12.849 1.00 0.00 WT3 H ATOM 43522 OH2 TIP3 6215 5.235 -0.397 6.432 1.00 0.00 WT3 O ATOM 43523 H1 TIP3 6215 6.883 -13.859 5.414 1.00 0.00 WT3 H ATOM 43524 H2 TIP3 6215 2.135 19.065 -2.441 1.00 0.00 WT3 H ATOM 43525 OH2 TIP3 6216 3.930 1.263 1.973 1.00 0.00 WT3 O ATOM 43526 H1 TIP3 6216 15.297 16.613 -1.675 1.00 0.00 WT3 H ATOM 43527 H2 TIP3 6216 -5.038 -20.167 11.751 1.00 0.00 WT3 H ATOM 43528 OH2 TIP3 6217 -3.715 -1.887 4.420 1.00 0.00 WT3 O ATOM 43529 H1 TIP3 6217 -10.622 -17.540 6.671 1.00 0.00 WT3 H ATOM 43530 H2 TIP3 6217 -6.629 -14.075 -3.148 1.00 0.00 WT3 H ATOM 43531 OH2 TIP3 6218 1.722 -3.400 -0.519 1.00 0.00 WT3 O ATOM 43532 H1 TIP3 6218 -8.719 -8.001 -2.531 1.00 0.00 WT3 H ATOM 43533 H2 TIP3 6218 -3.302 0.824 5.931 1.00 0.00 WT3 H ATOM 43534 OH2 TIP3 6219 -6.270 3.034 -2.360 1.00 0.00 WT3 O ATOM 43535 H1 TIP3 6219 2.675 4.277 16.408 1.00 0.00 WT3 H ATOM 43536 H2 TIP3 6219 22.268 -33.265 -7.589 1.00 0.00 WT3 H ATOM 43537 OH2 TIP3 6220 2.265 3.339 1.675 1.00 0.00 WT3 O ATOM 43538 H1 TIP3 6220 10.129 3.273 -7.348 1.00 0.00 WT3 H ATOM 43539 H2 TIP3 6220 -1.616 -3.620 -0.340 1.00 0.00 WT3 H ATOM 43540 OH2 TIP3 6221 -0.896 -4.080 -2.835 1.00 0.00 WT3 O ATOM 43541 H1 TIP3 6221 27.940 17.053 -15.527 1.00 0.00 WT3 H ATOM 43542 H2 TIP3 6221 10.789 -1.490 20.363 1.00 0.00 WT3 H ATOM 43543 OH2 TIP3 6223 -3.329 -4.013 0.843 1.00 0.00 WT3 O ATOM 43544 H1 TIP3 6223 -11.712 4.430 5.658 1.00 0.00 WT3 H ATOM 43545 H2 TIP3 6223 -5.185 -4.392 1.504 1.00 0.00 WT3 H ATOM 43546 OH2 TIP3 6224 0.858 -5.770 -2.941 1.00 0.00 WT3 O ATOM 43547 H1 TIP3 6224 -5.096 3.580 -15.825 1.00 0.00 WT3 H ATOM 43548 H2 TIP3 6224 10.019 -22.673 18.316 1.00 0.00 WT3 H ATOM 43549 OH2 TIP3 6225 -2.182 0.678 -3.196 1.00 0.00 WT3 O ATOM 43550 H1 TIP3 6225 -6.548 12.792 -5.969 1.00 0.00 WT3 H ATOM 43551 H2 TIP3 6225 -4.429 6.449 -4.724 1.00 0.00 WT3 H ATOM 43552 OH2 TIP3 6227 -5.492 -4.109 -3.530 1.00 0.00 WT3 O ATOM 43553 H1 TIP3 6227 -7.683 -11.683 3.236 1.00 0.00 WT3 H ATOM 43554 H2 TIP3 6227 -5.977 -4.471 -3.396 1.00 0.00 WT3 H ATOM 43555 OH2 TIP3 6230 -1.177 0.793 6.348 1.00 0.00 WT3 O ATOM 43556 H1 TIP3 6230 -0.556 15.242 8.477 1.00 0.00 WT3 H ATOM 43557 H2 TIP3 6230 5.494 12.169 -13.164 1.00 0.00 WT3 H ATOM 43558 OH2 TIP3 6231 -7.988 -2.026 -3.647 1.00 0.00 WT3 O ATOM 43559 H1 TIP3 6231 -2.800 -10.051 -5.310 1.00 0.00 WT3 H ATOM 43560 H2 TIP3 6231 0.945 -14.012 2.744 1.00 0.00 WT3 H ATOM 43561 OH2 TIP3 6232 -0.668 -1.013 -6.604 1.00 0.00 WT3 O ATOM 43562 H1 TIP3 6232 10.601 -14.363 -2.499 1.00 0.00 WT3 H ATOM 43563 H2 TIP3 6232 -4.661 -9.222 -27.083 1.00 0.00 WT3 H ATOM 43564 OH2 TIP3 6233 -4.162 -0.690 4.269 1.00 0.00 WT3 O ATOM 43565 H1 TIP3 6233 -30.347 3.055 17.217 1.00 0.00 WT3 H ATOM 43566 H2 TIP3 6233 -24.358 10.365 10.513 1.00 0.00 WT3 H ATOM 43567 OH2 TIP3 6235 6.384 2.151 6.512 1.00 0.00 WT3 O ATOM 43568 H1 TIP3 6235 17.105 4.729 -8.531 1.00 0.00 WT3 H ATOM 43569 H2 TIP3 6235 -5.515 -12.189 1.553 1.00 0.00 WT3 H ATOM 43570 OH2 TIP3 6236 5.734 7.072 0.429 1.00 0.00 WT3 O ATOM 43571 H1 TIP3 6236 -21.335 -8.325 7.747 1.00 0.00 WT3 H ATOM 43572 H2 TIP3 6236 -3.221 15.940 -22.801 1.00 0.00 WT3 H ATOM 43573 OH2 TIP3 6237 7.296 -2.906 -2.323 1.00 0.00 WT3 O ATOM 43574 H1 TIP3 6237 2.272 -14.938 9.424 1.00 0.00 WT3 H ATOM 43575 H2 TIP3 6237 -3.613 5.803 -0.047 1.00 0.00 WT3 H ATOM 43576 OH2 TIP3 6238 1.174 -1.215 -0.608 1.00 0.00 WT3 O ATOM 43577 H1 TIP3 6238 -3.041 9.643 -27.015 1.00 0.00 WT3 H ATOM 43578 H2 TIP3 6238 6.282 10.666 -15.682 1.00 0.00 WT3 H ATOM 43579 OH2 TIP3 6240 -0.379 -1.930 0.233 1.00 0.00 WT3 O ATOM 43580 H1 TIP3 6240 -10.139 -25.060 8.075 1.00 0.00 WT3 H ATOM 43581 H2 TIP3 6240 0.344 -1.543 -1.117 1.00 0.00 WT3 H ATOM 43582 OH2 TIP3 6241 5.146 -4.125 5.425 1.00 0.00 WT3 O ATOM 43583 H1 TIP3 6241 -2.790 4.484 11.202 1.00 0.00 WT3 H ATOM 43584 H2 TIP3 6241 7.190 15.462 1.390 1.00 0.00 WT3 H ATOM 43585 OH2 TIP3 6242 -8.414 -3.964 7.047 1.00 0.00 WT3 O ATOM 43586 H1 TIP3 6242 -7.240 -0.048 2.645 1.00 0.00 WT3 H ATOM 43587 H2 TIP3 6242 -13.855 1.327 12.362 1.00 0.00 WT3 H ATOM 43588 OH2 TIP3 6243 -2.489 5.152 -5.022 1.00 0.00 WT3 O ATOM 43589 H1 TIP3 6243 1.057 -3.195 -2.813 1.00 0.00 WT3 H ATOM 43590 H2 TIP3 6243 -12.849 12.464 5.782 1.00 0.00 WT3 H ATOM 43591 OH2 TIP3 6245 0.045 -3.730 0.896 1.00 0.00 WT3 O ATOM 43592 H1 TIP3 6245 -0.346 -9.402 15.192 1.00 0.00 WT3 H ATOM 43593 H2 TIP3 6245 11.733 13.304 -4.163 1.00 0.00 WT3 H ATOM 43594 OH2 TIP3 6246 0.680 -1.375 -4.124 1.00 0.00 WT3 O ATOM 43595 H1 TIP3 6246 3.123 -5.104 -15.112 1.00 0.00 WT3 H ATOM 43596 H2 TIP3 6246 -1.089 5.421 20.717 1.00 0.00 WT3 H ATOM 43597 OH2 TIP3 6247 3.108 -7.703 7.443 1.00 0.00 WT3 O ATOM 43598 H1 TIP3 6247 20.652 8.637 10.137 1.00 0.00 WT3 H ATOM 43599 H2 TIP3 6247 -9.721 9.060 -10.749 1.00 0.00 WT3 H ATOM 43600 OH2 TIP3 6248 2.068 -0.488 -2.237 1.00 0.00 WT3 O ATOM 43601 H1 TIP3 6248 5.303 -14.321 13.627 1.00 0.00 WT3 H ATOM 43602 H2 TIP3 6248 -7.136 8.662 -25.730 1.00 0.00 WT3 H ATOM 43603 OH2 TIP3 6249 -1.382 1.850 -4.620 1.00 0.00 WT3 O ATOM 43604 H1 TIP3 6249 14.468 4.459 -6.800 1.00 0.00 WT3 H ATOM 43605 H2 TIP3 6249 1.468 4.338 -4.374 1.00 0.00 WT3 H ATOM 43606 OH2 TIP3 6250 1.786 5.074 -9.957 1.00 0.00 WT3 O ATOM 43607 H1 TIP3 6250 20.417 -15.918 -3.261 1.00 0.00 WT3 H ATOM 43608 H2 TIP3 6250 16.627 5.374 9.451 1.00 0.00 WT3 H ATOM 43609 OH2 TIP3 6251 -1.587 -4.490 2.544 1.00 0.00 WT3 O ATOM 43610 H1 TIP3 6251 7.570 19.353 3.742 1.00 0.00 WT3 H ATOM 43611 H2 TIP3 6251 1.303 3.594 -39.624 1.00 0.00 WT3 H ATOM 43612 OH2 TIP3 6253 -2.268 4.734 0.307 1.00 0.00 WT3 O ATOM 43613 H1 TIP3 6253 16.359 6.577 -24.296 1.00 0.00 WT3 H ATOM 43614 H2 TIP3 6253 8.494 8.085 -13.874 1.00 0.00 WT3 H ATOM 43615 OH2 TIP3 6254 -0.179 0.820 -5.902 1.00 0.00 WT3 O ATOM 43616 H1 TIP3 6254 -12.776 -1.787 -9.828 1.00 0.00 WT3 H ATOM 43617 H2 TIP3 6254 6.365 10.951 -12.595 1.00 0.00 WT3 H ATOM 43618 OH2 TIP3 6255 3.058 -4.516 2.479 1.00 0.00 WT3 O ATOM 43619 H1 TIP3 6255 -3.601 -23.073 7.348 1.00 0.00 WT3 H ATOM 43620 H2 TIP3 6255 5.930 -3.104 -1.605 1.00 0.00 WT3 H ATOM 43621 OH2 TIP3 6256 1.536 -6.963 1.907 1.00 0.00 WT3 O ATOM 43622 H1 TIP3 6256 -9.707 -23.495 8.113 1.00 0.00 WT3 H ATOM 43623 H2 TIP3 6256 16.188 -13.628 -12.404 1.00 0.00 WT3 H ATOM 43624 OH2 TIP3 6257 4.121 -0.116 1.811 1.00 0.00 WT3 O ATOM 43625 H1 TIP3 6257 4.159 -0.531 1.442 1.00 0.00 WT3 H ATOM 43626 H2 TIP3 6257 6.741 22.069 22.448 1.00 0.00 WT3 H ATOM 43627 OH2 TIP3 6258 -3.809 -3.338 2.919 1.00 0.00 WT3 O ATOM 43628 H1 TIP3 6258 -6.843 -14.900 2.543 1.00 0.00 WT3 H ATOM 43629 H2 TIP3 6258 -3.121 7.309 -18.932 1.00 0.00 WT3 H ATOM 43630 OH2 TIP3 6260 4.387 -1.616 -4.926 1.00 0.00 WT3 O ATOM 43631 H1 TIP3 6260 5.052 -15.726 -7.859 1.00 0.00 WT3 H ATOM 43632 H2 TIP3 6260 5.520 5.778 -17.179 1.00 0.00 WT3 H ATOM 43633 OH2 TIP3 6261 -5.322 -6.756 -0.011 1.00 0.00 WT3 O ATOM 43634 H1 TIP3 6261 16.060 -1.856 -0.318 1.00 0.00 WT3 H ATOM 43635 H2 TIP3 6261 -12.776 -9.781 -6.976 1.00 0.00 WT3 H ATOM 43636 OH2 TIP3 6263 3.059 -0.365 4.895 1.00 0.00 WT3 O ATOM 43637 H1 TIP3 6263 -14.310 -13.206 0.581 1.00 0.00 WT3 H ATOM 43638 H2 TIP3 6263 -1.451 10.404 -0.557 1.00 0.00 WT3 H ATOM 43639 OH2 TIP3 6264 -2.795 0.520 1.008 1.00 0.00 WT3 O ATOM 43640 H1 TIP3 6264 -1.904 15.486 -1.742 1.00 0.00 WT3 H ATOM 43641 H2 TIP3 6264 1.444 -5.675 -12.157 1.00 0.00 WT3 H ATOM 43642 OH2 TIP3 6266 0.831 -6.099 1.538 1.00 0.00 WT3 O ATOM 43643 H1 TIP3 6266 5.391 -17.175 -7.567 1.00 0.00 WT3 H ATOM 43644 H2 TIP3 6266 -21.374 2.826 -17.539 1.00 0.00 WT3 H ATOM 43645 OH2 TIP3 6268 4.477 3.233 1.351 1.00 0.00 WT3 O ATOM 43646 H1 TIP3 6268 10.443 -4.158 -3.590 1.00 0.00 WT3 H ATOM 43647 H2 TIP3 6268 3.450 -2.743 -12.412 1.00 0.00 WT3 H ATOM 43648 OH2 TIP3 6269 -6.251 1.934 -1.152 1.00 0.00 WT3 O ATOM 43649 H1 TIP3 6269 16.464 -3.294 17.303 1.00 0.00 WT3 H ATOM 43650 H2 TIP3 6269 -12.041 -4.386 1.078 1.00 0.00 WT3 H ATOM 43651 OH2 TIP3 6270 1.838 -1.223 -4.586 1.00 0.00 WT3 O ATOM 43652 H1 TIP3 6270 -5.126 -5.830 -11.604 1.00 0.00 WT3 H ATOM 43653 H2 TIP3 6270 -0.068 -6.922 0.775 1.00 0.00 WT3 H ATOM 43654 OH2 TIP3 6271 2.432 -3.620 -4.488 1.00 0.00 WT3 O ATOM 43655 H1 TIP3 6271 -1.030 -36.424 -5.471 1.00 0.00 WT3 H ATOM 43656 H2 TIP3 6271 7.791 16.123 -5.511 1.00 0.00 WT3 H ATOM 43657 OH2 TIP3 6272 1.574 4.984 -1.681 1.00 0.00 WT3 O ATOM 43658 H1 TIP3 6272 18.521 -12.221 13.056 1.00 0.00 WT3 H ATOM 43659 H2 TIP3 6272 -18.429 -13.440 -14.175 1.00 0.00 WT3 H ATOM 43660 OH2 TIP3 6273 1.733 0.829 -1.027 1.00 0.00 WT3 O ATOM 43661 H1 TIP3 6273 0.579 -15.808 -23.378 1.00 0.00 WT3 H ATOM 43662 H2 TIP3 6273 1.933 3.944 2.294 1.00 0.00 WT3 H ATOM 43663 OH2 TIP3 6274 -5.819 0.251 6.507 1.00 0.00 WT3 O ATOM 43664 H1 TIP3 6274 -6.910 -0.250 6.752 1.00 0.00 WT3 H ATOM 43665 H2 TIP3 6274 5.329 15.954 -5.667 1.00 0.00 WT3 H ATOM 43666 OH2 TIP3 6275 2.631 3.231 -6.027 1.00 0.00 WT3 O ATOM 43667 H1 TIP3 6275 18.132 -7.242 -8.902 1.00 0.00 WT3 H ATOM 43668 H2 TIP3 6275 8.034 3.126 2.804 1.00 0.00 WT3 H ATOM 43669 OH2 TIP3 6276 -2.311 -1.902 0.425 1.00 0.00 WT3 O ATOM 43670 H1 TIP3 6276 6.056 14.416 6.338 1.00 0.00 WT3 H ATOM 43671 H2 TIP3 6276 -1.255 18.779 -2.719 1.00 0.00 WT3 H ATOM 43672 OH2 TIP3 6277 -3.837 -2.934 1.396 1.00 0.00 WT3 O ATOM 43673 H1 TIP3 6277 7.307 11.005 21.178 1.00 0.00 WT3 H ATOM 43674 H2 TIP3 6277 11.848 -21.996 29.398 1.00 0.00 WT3 H ATOM 43675 OH2 TIP3 6278 -2.342 -0.231 8.168 1.00 0.00 WT3 O ATOM 43676 H1 TIP3 6278 -19.681 0.662 6.420 1.00 0.00 WT3 H ATOM 43677 H2 TIP3 6278 7.139 -9.444 5.325 1.00 0.00 WT3 H ATOM 43678 OH2 TIP3 6279 -6.075 -0.561 -3.494 1.00 0.00 WT3 O ATOM 43679 H1 TIP3 6279 6.091 -8.391 -38.042 1.00 0.00 WT3 H ATOM 43680 H2 TIP3 6279 -0.887 7.402 20.043 1.00 0.00 WT3 H ATOM 43681 OH2 TIP3 6280 6.378 -7.743 3.291 1.00 0.00 WT3 O ATOM 43682 H1 TIP3 6280 9.064 -7.367 -11.025 1.00 0.00 WT3 H ATOM 43683 H2 TIP3 6280 6.668 -6.097 -1.016 1.00 0.00 WT3 H ATOM 43684 OH2 TIP3 6281 -0.457 -0.406 0.623 1.00 0.00 WT3 O ATOM 43685 H1 TIP3 6281 -1.213 7.838 16.893 1.00 0.00 WT3 H ATOM 43686 H2 TIP3 6281 -8.743 -11.442 -15.635 1.00 0.00 WT3 H ATOM 43687 OH2 TIP3 6282 2.606 1.463 1.069 1.00 0.00 WT3 O ATOM 43688 H1 TIP3 6282 -0.137 -2.053 0.468 1.00 0.00 WT3 H ATOM 43689 H2 TIP3 6282 1.530 18.409 10.926 1.00 0.00 WT3 H ATOM 43690 OH2 TIP3 6283 -5.102 1.533 -5.645 1.00 0.00 WT3 O ATOM 43691 H1 TIP3 6283 -21.982 3.959 -15.849 1.00 0.00 WT3 H ATOM 43692 H2 TIP3 6283 -4.309 -5.448 -3.359 1.00 0.00 WT3 H ATOM 43693 OH2 TIP3 6284 -4.687 1.192 1.340 1.00 0.00 WT3 O ATOM 43694 H1 TIP3 6284 4.089 16.128 -6.550 1.00 0.00 WT3 H ATOM 43695 H2 TIP3 6284 7.580 -6.785 13.488 1.00 0.00 WT3 H ATOM 43696 OH2 TIP3 6285 -0.853 -2.428 -6.082 1.00 0.00 WT3 O ATOM 43697 H1 TIP3 6285 2.740 -13.458 -2.164 1.00 0.00 WT3 H ATOM 43698 H2 TIP3 6285 -5.974 4.654 -5.380 1.00 0.00 WT3 H ATOM 43699 OH2 TIP3 6286 2.194 6.852 4.211 1.00 0.00 WT3 O ATOM 43700 H1 TIP3 6286 7.290 1.093 -8.538 1.00 0.00 WT3 H ATOM 43701 H2 TIP3 6286 -3.865 11.345 1.019 1.00 0.00 WT3 H ATOM 43702 OH2 TIP3 6287 -3.604 0.757 -5.048 1.00 0.00 WT3 O ATOM 43703 H1 TIP3 6287 16.050 2.187 -4.904 1.00 0.00 WT3 H ATOM 43704 H2 TIP3 6287 6.766 10.674 -18.244 1.00 0.00 WT3 H ATOM 43705 OH2 TIP3 6288 4.891 6.423 -7.152 1.00 0.00 WT3 O ATOM 43706 H1 TIP3 6288 32.222 -8.823 -2.643 1.00 0.00 WT3 H ATOM 43707 H2 TIP3 6288 -12.765 34.982 -10.685 1.00 0.00 WT3 H ATOM 43708 OH2 TIP3 6289 -2.024 -2.761 0.516 1.00 0.00 WT3 O ATOM 43709 H1 TIP3 6289 -6.539 21.687 6.692 1.00 0.00 WT3 H ATOM 43710 H2 TIP3 6289 -9.624 2.467 6.239 1.00 0.00 WT3 H ATOM 43711 OH2 TIP3 6290 -5.186 -0.403 3.722 1.00 0.00 WT3 O ATOM 43712 H1 TIP3 6290 2.401 4.552 9.722 1.00 0.00 WT3 H ATOM 43713 H2 TIP3 6290 -16.530 -1.593 0.539 1.00 0.00 WT3 H ATOM 43714 OH2 TIP3 6292 -2.185 -0.642 -5.666 1.00 0.00 WT3 O ATOM 43715 H1 TIP3 6292 -4.227 -22.160 -1.888 1.00 0.00 WT3 H ATOM 43716 H2 TIP3 6292 -4.231 -19.494 -3.019 1.00 0.00 WT3 H ATOM 43717 OH2 TIP3 6295 -2.201 1.336 0.397 1.00 0.00 WT3 O ATOM 43718 H1 TIP3 6295 3.476 -1.795 3.442 1.00 0.00 WT3 H ATOM 43719 H2 TIP3 6295 -8.855 -3.263 -8.398 1.00 0.00 WT3 H ATOM 43720 OH2 TIP3 6296 -10.366 -5.771 3.574 1.00 0.00 WT3 O ATOM 43721 H1 TIP3 6296 -10.685 -11.372 7.535 1.00 0.00 WT3 H ATOM 43722 H2 TIP3 6296 -3.675 -6.909 -8.369 1.00 0.00 WT3 H ATOM 43723 OH2 TIP3 6297 3.502 3.359 3.287 1.00 0.00 WT3 O ATOM 43724 H1 TIP3 6297 19.042 -3.897 17.884 1.00 0.00 WT3 H ATOM 43725 H2 TIP3 6297 -2.332 6.943 -1.590 1.00 0.00 WT3 H ATOM 43726 OH2 TIP3 6298 -1.495 4.529 -2.151 1.00 0.00 WT3 O ATOM 43727 H1 TIP3 6298 14.672 6.185 -8.207 1.00 0.00 WT3 H ATOM 43728 H2 TIP3 6298 4.079 9.834 23.870 1.00 0.00 WT3 H ATOM 43729 OH2 TIP3 6299 6.261 1.601 5.421 1.00 0.00 WT3 O ATOM 43730 H1 TIP3 6299 4.241 -7.586 -8.471 1.00 0.00 WT3 H ATOM 43731 H2 TIP3 6299 -12.261 8.333 8.396 1.00 0.00 WT3 H ATOM 43732 OH2 TIP3 6300 -4.023 -2.017 -6.446 1.00 0.00 WT3 O ATOM 43733 H1 TIP3 6300 -16.623 -9.857 8.822 1.00 0.00 WT3 H ATOM 43734 H2 TIP3 6300 -0.748 8.079 -2.973 1.00 0.00 WT3 H ATOM 43735 OH2 TIP3 6301 -7.025 -3.533 -0.384 1.00 0.00 WT3 O ATOM 43736 H1 TIP3 6301 -0.380 -5.533 2.084 1.00 0.00 WT3 H ATOM 43737 H2 TIP3 6301 -4.173 -24.462 29.104 1.00 0.00 WT3 H ATOM 43738 OH2 TIP3 6303 4.822 0.472 -2.143 1.00 0.00 WT3 O ATOM 43739 H1 TIP3 6303 -0.638 2.223 5.583 1.00 0.00 WT3 H ATOM 43740 H2 TIP3 6303 5.866 1.776 -3.844 1.00 0.00 WT3 H ATOM 43741 OH2 TIP3 6304 5.053 1.672 -1.327 1.00 0.00 WT3 O ATOM 43742 H1 TIP3 6304 14.037 -10.250 0.921 1.00 0.00 WT3 H ATOM 43743 H2 TIP3 6304 15.954 12.641 -3.063 1.00 0.00 WT3 H ATOM 43744 OH2 TIP3 6305 5.889 7.508 -1.659 1.00 0.00 WT3 O ATOM 43745 H1 TIP3 6305 10.623 5.377 -1.866 1.00 0.00 WT3 H ATOM 43746 H2 TIP3 6305 -0.674 8.963 -3.661 1.00 0.00 WT3 H ATOM 43747 OH2 TIP3 6307 -2.525 -0.966 -3.207 1.00 0.00 WT3 O ATOM 43748 H1 TIP3 6307 1.545 21.720 -10.878 1.00 0.00 WT3 H ATOM 43749 H2 TIP3 6307 -4.939 -18.004 2.276 1.00 0.00 WT3 H ATOM 43750 OH2 TIP3 6308 -4.618 -6.061 2.190 1.00 0.00 WT3 O ATOM 43751 H1 TIP3 6308 3.908 13.923 -4.629 1.00 0.00 WT3 H ATOM 43752 H2 TIP3 6308 -2.450 -0.126 24.015 1.00 0.00 WT3 H ATOM 43753 OH2 TIP3 6309 1.277 1.639 -1.920 1.00 0.00 WT3 O ATOM 43754 H1 TIP3 6309 22.595 -11.741 9.497 1.00 0.00 WT3 H ATOM 43755 H2 TIP3 6309 12.702 12.633 7.355 1.00 0.00 WT3 H ATOM 43756 OH2 TIP3 6311 -5.878 3.801 -0.174 1.00 0.00 WT3 O ATOM 43757 H1 TIP3 6311 19.938 -5.478 -12.477 1.00 0.00 WT3 H ATOM 43758 H2 TIP3 6311 1.965 -6.270 -8.662 1.00 0.00 WT3 H ATOM 43759 OH2 TIP3 6312 1.648 -0.609 -2.440 1.00 0.00 WT3 O ATOM 43760 H1 TIP3 6312 0.614 0.234 -7.002 1.00 0.00 WT3 H ATOM 43761 H2 TIP3 6312 -9.202 -1.119 18.921 1.00 0.00 WT3 H ATOM 43762 OH2 TIP3 6313 7.583 -6.916 -3.644 1.00 0.00 WT3 O ATOM 43763 H1 TIP3 6313 29.380 -10.078 -28.447 1.00 0.00 WT3 H ATOM 43764 H2 TIP3 6313 -6.003 -7.362 8.281 1.00 0.00 WT3 H ATOM 43765 OH2 TIP3 6317 -0.263 -4.504 -3.444 1.00 0.00 WT3 O ATOM 43766 H1 TIP3 6317 1.019 -12.036 1.577 1.00 0.00 WT3 H ATOM 43767 H2 TIP3 6317 -2.268 1.618 -5.435 1.00 0.00 WT3 H ATOM 43768 OH2 TIP3 6318 -1.837 3.797 6.701 1.00 0.00 WT3 O ATOM 43769 H1 TIP3 6318 -3.136 0.564 -9.831 1.00 0.00 WT3 H ATOM 43770 H2 TIP3 6318 3.864 7.884 -6.245 1.00 0.00 WT3 H ATOM 43771 OH2 TIP3 6319 -0.251 -3.701 2.942 1.00 0.00 WT3 O ATOM 43772 H1 TIP3 6319 8.264 39.654 1.982 1.00 0.00 WT3 H ATOM 43773 H2 TIP3 6319 -3.055 -27.842 44.094 1.00 0.00 WT3 H ATOM 43774 OH2 TIP3 6320 8.599 2.665 -0.688 1.00 0.00 WT3 O ATOM 43775 H1 TIP3 6320 -27.053 -10.776 13.834 1.00 0.00 WT3 H ATOM 43776 H2 TIP3 6320 0.987 3.589 4.560 1.00 0.00 WT3 H ATOM 43777 OH2 TIP3 6321 2.302 0.819 4.265 1.00 0.00 WT3 O ATOM 43778 H1 TIP3 6321 6.108 -0.643 2.737 1.00 0.00 WT3 H ATOM 43779 H2 TIP3 6321 1.246 9.985 -5.213 1.00 0.00 WT3 H ATOM 43780 OH2 TIP3 6323 3.385 -0.757 3.534 1.00 0.00 WT3 O ATOM 43781 H1 TIP3 6323 -10.259 -16.456 25.530 1.00 0.00 WT3 H ATOM 43782 H2 TIP3 6323 26.120 2.361 -12.790 1.00 0.00 WT3 H ATOM 43783 OH2 TIP3 6325 4.602 2.260 1.675 1.00 0.00 WT3 O ATOM 43784 H1 TIP3 6325 5.967 -10.059 13.824 1.00 0.00 WT3 H ATOM 43785 H2 TIP3 6325 -5.439 1.115 -0.804 1.00 0.00 WT3 H ATOM 43786 OH2 TIP3 6327 -4.860 2.005 -0.651 1.00 0.00 WT3 O ATOM 43787 H1 TIP3 6327 -11.171 3.217 -0.070 1.00 0.00 WT3 H ATOM 43788 H2 TIP3 6327 -5.349 -5.773 5.217 1.00 0.00 WT3 H ATOM 43789 OH2 TIP3 6328 -2.563 1.485 -4.950 1.00 0.00 WT3 O ATOM 43790 H1 TIP3 6328 -28.550 -14.793 -3.602 1.00 0.00 WT3 H ATOM 43791 H2 TIP3 6328 -26.095 19.044 -25.274 1.00 0.00 WT3 H ATOM 43792 OH2 TIP3 6329 -3.818 -2.244 -3.725 1.00 0.00 WT3 O ATOM 43793 H1 TIP3 6329 10.975 -12.716 -14.083 1.00 0.00 WT3 H ATOM 43794 H2 TIP3 6329 5.886 -20.062 -25.141 1.00 0.00 WT3 H ATOM 43795 OH2 TIP3 6330 5.194 -2.875 1.725 1.00 0.00 WT3 O ATOM 43796 H1 TIP3 6330 3.515 1.140 2.511 1.00 0.00 WT3 H ATOM 43797 H2 TIP3 6330 5.081 -0.011 16.316 1.00 0.00 WT3 H ATOM 43798 OH2 TIP3 6331 2.392 2.174 -4.027 1.00 0.00 WT3 O ATOM 43799 H1 TIP3 6331 8.369 -9.269 -16.575 1.00 0.00 WT3 H ATOM 43800 H2 TIP3 6331 -19.253 18.783 1.136 1.00 0.00 WT3 H ATOM 43801 OH2 TIP3 6332 3.373 -4.840 3.137 1.00 0.00 WT3 O ATOM 43802 H1 TIP3 6332 -12.298 1.378 3.438 1.00 0.00 WT3 H ATOM 43803 H2 TIP3 6332 11.688 -7.211 3.291 1.00 0.00 WT3 H ATOM 43804 OH2 TIP3 6333 4.067 1.002 1.406 1.00 0.00 WT3 O ATOM 43805 H1 TIP3 6333 -5.421 -7.261 14.126 1.00 0.00 WT3 H ATOM 43806 H2 TIP3 6333 -1.765 -5.785 -4.730 1.00 0.00 WT3 H ATOM 43807 OH2 TIP3 6335 -5.110 -1.222 0.585 1.00 0.00 WT3 O ATOM 43808 H1 TIP3 6335 -10.325 -11.704 -6.295 1.00 0.00 WT3 H ATOM 43809 H2 TIP3 6335 -17.007 6.537 5.046 1.00 0.00 WT3 H ATOM 43810 OH2 TIP3 6337 -0.833 5.008 1.214 1.00 0.00 WT3 O ATOM 43811 H1 TIP3 6337 -0.861 21.126 5.396 1.00 0.00 WT3 H ATOM 43812 H2 TIP3 6337 -10.227 6.297 -9.438 1.00 0.00 WT3 H ATOM 43813 OH2 TIP3 6339 1.101 -0.979 1.991 1.00 0.00 WT3 O ATOM 43814 H1 TIP3 6339 14.817 -3.135 -2.867 1.00 0.00 WT3 H ATOM 43815 H2 TIP3 6339 -4.621 -13.292 0.723 1.00 0.00 WT3 H ATOM 43816 OH2 TIP3 6340 2.715 -0.876 6.281 1.00 0.00 WT3 O ATOM 43817 H1 TIP3 6340 -19.647 17.599 -6.736 1.00 0.00 WT3 H ATOM 43818 H2 TIP3 6340 1.910 -9.070 27.245 1.00 0.00 WT3 H ATOM 43819 OH2 TIP3 6342 -3.618 5.524 0.517 1.00 0.00 WT3 O ATOM 43820 H1 TIP3 6342 5.144 -0.438 -28.417 1.00 0.00 WT3 H ATOM 43821 H2 TIP3 6342 16.208 -10.932 17.763 1.00 0.00 WT3 H ATOM 43822 OH2 TIP3 6344 4.037 -1.625 -3.753 1.00 0.00 WT3 O ATOM 43823 H1 TIP3 6344 -0.462 0.540 16.956 1.00 0.00 WT3 H ATOM 43824 H2 TIP3 6344 22.904 4.234 0.282 1.00 0.00 WT3 H ATOM 43825 OH2 TIP3 6345 4.399 -0.162 -3.753 1.00 0.00 WT3 O ATOM 43826 H1 TIP3 6345 30.735 -8.169 -20.623 1.00 0.00 WT3 H ATOM 43827 H2 TIP3 6345 18.434 -11.089 -13.652 1.00 0.00 WT3 H ATOM 43828 OH2 TIP3 6346 3.268 -3.892 7.364 1.00 0.00 WT3 O ATOM 43829 H1 TIP3 6346 -14.756 2.795 31.903 1.00 0.00 WT3 H ATOM 43830 H2 TIP3 6346 -9.326 -6.415 -22.887 1.00 0.00 WT3 H ATOM 43831 OH2 TIP3 6347 -3.476 -0.072 1.919 1.00 0.00 WT3 O ATOM 43832 H1 TIP3 6347 11.625 8.729 25.576 1.00 0.00 WT3 H ATOM 43833 H2 TIP3 6347 -4.681 -5.479 4.852 1.00 0.00 WT3 H ATOM 43834 OH2 TIP3 6348 -4.222 3.014 -5.689 1.00 0.00 WT3 O ATOM 43835 H1 TIP3 6348 -18.447 17.078 -12.224 1.00 0.00 WT3 H ATOM 43836 H2 TIP3 6348 -7.118 1.084 -11.981 1.00 0.00 WT3 H ATOM 43837 OH2 TIP3 6349 -0.796 1.297 -6.401 1.00 0.00 WT3 O ATOM 43838 H1 TIP3 6349 -9.689 15.185 -5.927 1.00 0.00 WT3 H ATOM 43839 H2 TIP3 6349 5.209 -2.805 -9.525 1.00 0.00 WT3 H ATOM 43840 OH2 TIP3 6351 -1.108 -3.282 -3.864 1.00 0.00 WT3 O ATOM 43841 H1 TIP3 6351 -9.002 19.827 -6.490 1.00 0.00 WT3 H ATOM 43842 H2 TIP3 6351 2.726 -14.296 -2.045 1.00 0.00 WT3 H ATOM 43843 OH2 TIP3 6353 0.940 0.605 3.600 1.00 0.00 WT3 O ATOM 43844 H1 TIP3 6353 -2.501 5.822 -11.940 1.00 0.00 WT3 H ATOM 43845 H2 TIP3 6353 18.846 5.689 3.075 1.00 0.00 WT3 H ATOM 43846 OH2 TIP3 6356 -0.051 -4.633 0.664 1.00 0.00 WT3 O ATOM 43847 H1 TIP3 6356 -6.467 -4.557 -20.663 1.00 0.00 WT3 H ATOM 43848 H2 TIP3 6356 -21.754 17.457 13.394 1.00 0.00 WT3 H ATOM 43849 OH2 TIP3 6357 2.916 -1.056 -1.005 1.00 0.00 WT3 O ATOM 43850 H1 TIP3 6357 3.779 -22.337 12.229 1.00 0.00 WT3 H ATOM 43851 H2 TIP3 6357 7.621 0.384 -0.447 1.00 0.00 WT3 H ATOM 43852 OH2 TIP3 6359 -3.406 1.891 1.897 1.00 0.00 WT3 O ATOM 43853 H1 TIP3 6359 -30.756 -33.676 -11.250 1.00 0.00 WT3 H ATOM 43854 H2 TIP3 6359 -6.545 1.180 4.131 1.00 0.00 WT3 H ATOM 43855 OH2 TIP3 6360 -2.795 -4.864 1.701 1.00 0.00 WT3 O ATOM 43856 H1 TIP3 6360 18.079 10.564 -3.377 1.00 0.00 WT3 H ATOM 43857 H2 TIP3 6360 -14.235 -5.548 8.995 1.00 0.00 WT3 H ATOM 43858 OH2 TIP3 6361 3.451 -2.597 0.929 1.00 0.00 WT3 O ATOM 43859 H1 TIP3 6361 4.850 12.838 12.438 1.00 0.00 WT3 H ATOM 43860 H2 TIP3 6361 -1.738 -15.256 -1.598 1.00 0.00 WT3 H ATOM 43861 OH2 TIP3 6362 -1.843 -8.390 6.810 1.00 0.00 WT3 O ATOM 43862 H1 TIP3 6362 7.410 0.179 1.522 1.00 0.00 WT3 H ATOM 43863 H2 TIP3 6362 -5.218 -9.634 21.695 1.00 0.00 WT3 H ATOM 43864 OH2 TIP3 6363 -1.657 -4.024 1.877 1.00 0.00 WT3 O ATOM 43865 H1 TIP3 6363 -6.361 3.407 -1.212 1.00 0.00 WT3 H ATOM 43866 H2 TIP3 6363 0.561 -8.699 -10.774 1.00 0.00 WT3 H ATOM 43867 OH2 TIP3 6364 -6.042 4.021 -1.425 1.00 0.00 WT3 O ATOM 43868 H1 TIP3 6364 -8.030 5.641 -13.941 1.00 0.00 WT3 H ATOM 43869 H2 TIP3 6364 -9.001 -3.085 -7.463 1.00 0.00 WT3 H ATOM 43870 OH2 TIP3 6365 7.375 0.427 -2.270 1.00 0.00 WT3 O ATOM 43871 H1 TIP3 6365 -9.917 -10.717 -19.132 1.00 0.00 WT3 H ATOM 43872 H2 TIP3 6365 -2.235 -5.145 -8.746 1.00 0.00 WT3 H ATOM 43873 OH2 TIP3 6366 -0.923 -3.416 1.310 1.00 0.00 WT3 O ATOM 43874 H1 TIP3 6366 6.034 -7.220 26.127 1.00 0.00 WT3 H ATOM 43875 H2 TIP3 6366 8.984 -24.473 -3.912 1.00 0.00 WT3 H ATOM 43876 OH2 TIP3 6369 -2.367 3.958 3.442 1.00 0.00 WT3 O ATOM 43877 H1 TIP3 6369 0.093 -0.796 12.594 1.00 0.00 WT3 H ATOM 43878 H2 TIP3 6369 12.307 30.841 -10.620 1.00 0.00 WT3 H ATOM 43879 OH2 TIP3 6370 4.248 0.315 0.836 1.00 0.00 WT3 O ATOM 43880 H1 TIP3 6370 14.900 15.174 -8.226 1.00 0.00 WT3 H ATOM 43881 H2 TIP3 6370 -1.634 -7.634 6.213 1.00 0.00 WT3 H ATOM 43882 OH2 TIP3 6371 5.930 5.359 6.100 1.00 0.00 WT3 O ATOM 43883 H1 TIP3 6371 -7.407 8.462 3.418 1.00 0.00 WT3 H ATOM 43884 H2 TIP3 6371 -18.469 -17.843 1.747 1.00 0.00 WT3 H ATOM 43885 OH2 TIP3 6372 -1.393 -5.361 -8.747 1.00 0.00 WT3 O ATOM 43886 H1 TIP3 6372 -3.798 -7.757 -6.775 1.00 0.00 WT3 H ATOM 43887 H2 TIP3 6372 5.597 4.607 2.332 1.00 0.00 WT3 H ATOM 43888 OH2 TIP3 6373 -8.161 -0.851 3.925 1.00 0.00 WT3 O ATOM 43889 H1 TIP3 6373 -10.949 -7.947 9.883 1.00 0.00 WT3 H ATOM 43890 H2 TIP3 6373 -5.278 4.068 -23.818 1.00 0.00 WT3 H ATOM 43891 OH2 TIP3 6374 0.397 3.354 2.973 1.00 0.00 WT3 O ATOM 43892 H1 TIP3 6374 8.188 -19.170 4.754 1.00 0.00 WT3 H ATOM 43893 H2 TIP3 6374 -7.096 -0.444 2.470 1.00 0.00 WT3 H ATOM 43894 OH2 TIP3 6375 -5.263 2.546 2.664 1.00 0.00 WT3 O ATOM 43895 H1 TIP3 6375 -7.911 4.757 4.751 1.00 0.00 WT3 H ATOM 43896 H2 TIP3 6375 -1.822 5.222 -17.792 1.00 0.00 WT3 H ATOM 43897 OH2 TIP3 6377 1.885 2.416 -3.756 1.00 0.00 WT3 O ATOM 43898 H1 TIP3 6377 -15.609 -15.253 4.858 1.00 0.00 WT3 H ATOM 43899 H2 TIP3 6377 6.737 7.939 -7.338 1.00 0.00 WT3 H ATOM 43900 OH2 TIP3 6380 5.959 -3.727 2.361 1.00 0.00 WT3 O ATOM 43901 H1 TIP3 6380 -9.374 -14.139 6.268 1.00 0.00 WT3 H ATOM 43902 H2 TIP3 6380 -6.046 -13.163 -17.329 1.00 0.00 WT3 H ATOM 43903 OH2 TIP3 6381 2.439 1.564 -0.079 1.00 0.00 WT3 O ATOM 43904 H1 TIP3 6381 -2.651 3.372 22.553 1.00 0.00 WT3 H ATOM 43905 H2 TIP3 6381 -4.814 15.635 -11.775 1.00 0.00 WT3 H ATOM 43906 OH2 TIP3 6384 -4.458 -2.408 -3.400 1.00 0.00 WT3 O ATOM 43907 H1 TIP3 6384 16.441 -10.504 41.482 1.00 0.00 WT3 H ATOM 43908 H2 TIP3 6384 21.685 19.056 11.296 1.00 0.00 WT3 H ATOM 43909 OH2 TIP3 6386 -0.473 1.068 -0.420 1.00 0.00 WT3 O ATOM 43910 H1 TIP3 6386 -1.512 0.343 -0.686 1.00 0.00 WT3 H ATOM 43911 H2 TIP3 6386 -1.265 0.336 -0.679 1.00 0.00 WT3 H ATOM 43912 OH2 TIP3 6388 -7.836 -1.157 -2.282 1.00 0.00 WT3 O ATOM 43913 H1 TIP3 6388 -7.413 -7.498 4.978 1.00 0.00 WT3 H ATOM 43914 H2 TIP3 6388 1.601 -3.617 -8.558 1.00 0.00 WT3 H ATOM 43915 OH2 TIP3 6390 3.802 1.846 -1.066 1.00 0.00 WT3 O ATOM 43916 H1 TIP3 6390 -8.570 -6.829 12.396 1.00 0.00 WT3 H ATOM 43917 H2 TIP3 6390 -4.546 -13.748 -6.586 1.00 0.00 WT3 H ATOM 43918 OH2 TIP3 6391 -2.109 4.678 -0.980 1.00 0.00 WT3 O ATOM 43919 H1 TIP3 6391 4.908 -8.811 15.401 1.00 0.00 WT3 H ATOM 43920 H2 TIP3 6391 1.203 1.912 27.125 1.00 0.00 WT3 H ATOM 43921 OH2 TIP3 6393 1.664 -0.404 0.366 1.00 0.00 WT3 O ATOM 43922 H1 TIP3 6393 0.574 -3.719 15.470 1.00 0.00 WT3 H ATOM 43923 H2 TIP3 6393 -2.066 10.922 -6.433 1.00 0.00 WT3 H ATOM 43924 OH2 TIP3 6395 7.390 1.388 0.354 1.00 0.00 WT3 O ATOM 43925 H1 TIP3 6395 1.956 21.144 9.440 1.00 0.00 WT3 H ATOM 43926 H2 TIP3 6395 16.405 2.285 -6.425 1.00 0.00 WT3 H ATOM 43927 OH2 TIP3 6400 -3.894 5.988 4.790 1.00 0.00 WT3 O ATOM 43928 H1 TIP3 6400 2.334 -1.845 15.451 1.00 0.00 WT3 H ATOM 43929 H2 TIP3 6400 -8.447 -12.155 -0.369 1.00 0.00 WT3 H ATOM 43930 OH2 TIP3 6401 -4.412 -7.901 -2.507 1.00 0.00 WT3 O ATOM 43931 H1 TIP3 6401 12.556 -5.464 -6.563 1.00 0.00 WT3 H ATOM 43932 H2 TIP3 6401 8.955 22.825 10.654 1.00 0.00 WT3 H ATOM 43933 OH2 TIP3 6403 -0.700 2.754 4.098 1.00 0.00 WT3 O ATOM 43934 H1 TIP3 6403 5.606 8.618 -0.496 1.00 0.00 WT3 H ATOM 43935 H2 TIP3 6403 -7.957 -6.906 8.649 1.00 0.00 WT3 H ATOM 43936 OH2 TIP3 6411 2.736 4.774 0.769 1.00 0.00 WT3 O ATOM 43937 H1 TIP3 6411 2.105 8.171 17.975 1.00 0.00 WT3 H ATOM 43938 H2 TIP3 6411 7.058 2.631 -0.570 1.00 0.00 WT3 H ATOM 43939 OH2 TIP3 6417 3.821 5.347 -2.144 1.00 0.00 WT3 O ATOM 43940 H1 TIP3 6417 6.423 6.626 -3.656 1.00 0.00 WT3 H ATOM 43941 H2 TIP3 6417 -4.656 14.324 -7.055 1.00 0.00 WT3 H ATOM 43942 OH2 TIP3 6420 0.472 -1.420 2.434 1.00 0.00 WT3 O ATOM 43943 H1 TIP3 6420 0.309 -9.707 -14.295 1.00 0.00 WT3 H ATOM 43944 H2 TIP3 6420 34.958 7.176 8.215 1.00 0.00 WT3 H ATOM 43945 OH2 TIP3 6421 -4.163 -4.857 6.658 1.00 0.00 WT3 O ATOM 43946 H1 TIP3 6421 -21.205 -2.400 -2.421 1.00 0.00 WT3 H ATOM 43947 H2 TIP3 6421 13.704 15.302 1.617 1.00 0.00 WT3 H ATOM 43948 OH2 TIP3 6424 1.521 4.576 -1.069 1.00 0.00 WT3 O ATOM 43949 H1 TIP3 6424 -5.010 11.126 10.867 1.00 0.00 WT3 H ATOM 43950 H2 TIP3 6424 15.721 12.389 -17.219 1.00 0.00 WT3 H ATOM 43951 OH2 TIP3 6428 -1.758 -1.969 -0.659 1.00 0.00 WT3 O ATOM 43952 H1 TIP3 6428 -5.758 12.134 -1.625 1.00 0.00 WT3 H ATOM 43953 H2 TIP3 6428 -15.413 -9.745 3.783 1.00 0.00 WT3 H ATOM 43954 OH2 TIP3 6429 -1.501 1.223 0.408 1.00 0.00 WT3 O ATOM 43955 H1 TIP3 6429 1.642 25.462 8.401 1.00 0.00 WT3 H ATOM 43956 H2 TIP3 6429 -2.575 -20.491 -6.622 1.00 0.00 WT3 H ATOM 43957 OH2 TIP3 6441 -6.002 5.890 0.344 1.00 0.00 WT3 O ATOM 43958 H1 TIP3 6441 -17.895 -1.388 0.037 1.00 0.00 WT3 H ATOM 43959 H2 TIP3 6441 -11.108 2.752 0.088 1.00 0.00 WT3 H ATOM 43960 OH2 TIP3 6492 -0.134 0.521 1.221 1.00 0.00 WT3 O ATOM 43961 H1 TIP3 6492 -4.615 -10.920 -1.253 1.00 0.00 WT3 H ATOM 43962 H2 TIP3 6492 12.969 17.552 1.326 1.00 0.00 WT3 H ATOM 43963 OH2 TIP3 6499 2.850 4.636 -3.205 1.00 0.00 WT3 O ATOM 43964 H1 TIP3 6499 -1.682 11.176 -0.538 1.00 0.00 WT3 H ATOM 43965 H2 TIP3 6499 -7.063 11.515 14.664 1.00 0.00 WT3 H ATOM 43966 OH2 TIP3 6536 4.609 0.573 4.503 1.00 0.00 WT3 O ATOM 43967 H1 TIP3 6536 -5.290 2.325 8.030 1.00 0.00 WT3 H ATOM 43968 H2 TIP3 6536 -4.486 1.883 16.314 1.00 0.00 WT3 H ATOM 43969 OH2 TIP3 6551 -3.606 -2.833 -0.629 1.00 0.00 WT3 O ATOM 43970 H1 TIP3 6551 2.768 -7.345 -1.457 1.00 0.00 WT3 H ATOM 43971 H2 TIP3 6551 -9.703 11.056 2.541 1.00 0.00 WT3 H ATOM 43972 OH2 TIP3 6555 4.656 -4.768 5.917 1.00 0.00 WT3 O ATOM 43973 H1 TIP3 6555 6.248 -22.310 -0.264 1.00 0.00 WT3 H ATOM 43974 H2 TIP3 6555 -18.153 0.198 10.431 1.00 0.00 WT3 H ATOM 43975 OH2 TIP3 6569 1.715 11.473 1.831 1.00 0.00 WT3 O ATOM 43976 H1 TIP3 6569 -3.827 1.653 11.981 1.00 0.00 WT3 H ATOM 43977 H2 TIP3 6569 -2.214 -12.069 12.688 1.00 0.00 WT3 H ATOM 43978 OH2 TIP3 6571 -0.873 -5.150 -0.106 1.00 0.00 WT3 O ATOM 43979 H1 TIP3 6571 -2.319 -3.191 -3.044 1.00 0.00 WT3 H ATOM 43980 H2 TIP3 6571 -9.588 7.178 -13.954 1.00 0.00 WT3 H ATOM 43981 OH2 TIP3 6575 8.764 -2.441 -7.380 1.00 0.00 WT3 O ATOM 43982 H1 TIP3 6575 -13.461 -2.463 -3.802 1.00 0.00 WT3 H ATOM 43983 H2 TIP3 6575 10.742 -2.900 -20.394 1.00 0.00 WT3 H ATOM 43984 OH2 TIP3 6579 -4.165 -0.818 -4.669 1.00 0.00 WT3 O ATOM 43985 H1 TIP3 6579 1.396 -14.250 -28.754 1.00 0.00 WT3 H ATOM 43986 H2 TIP3 6579 -9.553 2.440 27.729 1.00 0.00 WT3 H ATOM 43987 OH2 TIP3 6592 2.112 -0.440 4.172 1.00 0.00 WT3 O ATOM 43988 H1 TIP3 6592 -7.883 7.383 -4.661 1.00 0.00 WT3 H ATOM 43989 H2 TIP3 6592 -5.752 -17.292 6.317 1.00 0.00 WT3 H ATOM 43990 OH2 TIP3 6595 -4.090 0.979 -12.273 1.00 0.00 WT3 O ATOM 43991 H1 TIP3 6595 -8.242 17.920 6.099 1.00 0.00 WT3 H ATOM 43992 H2 TIP3 6595 -7.146 1.718 -9.001 1.00 0.00 WT3 H ATOM 43993 OH2 TIP3 6597 4.777 -0.654 -2.851 1.00 0.00 WT3 O ATOM 43994 H1 TIP3 6597 5.074 11.034 -14.373 1.00 0.00 WT3 H ATOM 43995 H2 TIP3 6597 10.341 -15.664 -5.399 1.00 0.00 WT3 H ATOM 43996 OH2 TIP3 6602 -4.717 -0.414 -4.242 1.00 0.00 WT3 O ATOM 43997 H1 TIP3 6602 -17.652 19.685 5.905 1.00 0.00 WT3 H ATOM 43998 H2 TIP3 6602 -15.739 3.188 5.978 1.00 0.00 WT3 H ATOM 43999 OH2 TIP3 6603 6.217 -1.342 -7.236 1.00 0.00 WT3 O ATOM 44000 H1 TIP3 6603 13.182 7.997 2.413 1.00 0.00 WT3 H ATOM 44001 H2 TIP3 6603 11.269 16.713 13.713 1.00 0.00 WT3 H ATOM 44002 OH2 TIP3 6606 -0.191 5.813 2.360 1.00 0.00 WT3 O ATOM 44003 H1 TIP3 6606 -5.061 7.508 -2.956 1.00 0.00 WT3 H ATOM 44004 H2 TIP3 6606 -8.661 6.982 -0.887 1.00 0.00 WT3 H ATOM 44005 OH2 TIP3 6613 0.454 -2.955 3.843 1.00 0.00 WT3 O ATOM 44006 H1 TIP3 6613 -16.914 12.204 10.207 1.00 0.00 WT3 H ATOM 44007 H2 TIP3 6613 17.691 10.928 2.070 1.00 0.00 WT3 H ATOM 44008 OH2 TIP3 6614 0.522 -1.907 3.263 1.00 0.00 WT3 O ATOM 44009 H1 TIP3 6614 14.724 0.622 4.582 1.00 0.00 WT3 H ATOM 44010 H2 TIP3 6614 -4.124 5.902 -14.394 1.00 0.00 WT3 H ATOM 44011 OH2 TIP3 6615 5.929 3.654 -6.135 1.00 0.00 WT3 O ATOM 44012 H1 TIP3 6615 0.653 6.994 -0.616 1.00 0.00 WT3 H ATOM 44013 H2 TIP3 6615 -17.942 34.225 -19.942 1.00 0.00 WT3 H ATOM 44014 OH2 TIP3 6616 1.833 -6.793 2.514 1.00 0.00 WT3 O ATOM 44015 H1 TIP3 6616 -25.761 16.902 -2.151 1.00 0.00 WT3 H ATOM 44016 H2 TIP3 6616 -9.081 -0.722 4.288 1.00 0.00 WT3 H ATOM 44017 OH2 TIP3 6618 -4.129 3.657 3.997 1.00 0.00 WT3 O ATOM 44018 H1 TIP3 6618 -2.623 8.436 -13.789 1.00 0.00 WT3 H ATOM 44019 H2 TIP3 6618 3.846 10.174 -8.423 1.00 0.00 WT3 H ATOM 44020 OH2 TIP3 6620 -2.546 -0.754 -3.390 1.00 0.00 WT3 O ATOM 44021 H1 TIP3 6620 -15.771 3.788 -11.656 1.00 0.00 WT3 H ATOM 44022 H2 TIP3 6620 10.555 -7.389 5.467 1.00 0.00 WT3 H ATOM 44023 OH2 TIP3 6621 -0.736 -6.130 -1.180 1.00 0.00 WT3 O ATOM 44024 H1 TIP3 6621 -1.539 -7.370 -0.983 1.00 0.00 WT3 H ATOM 44025 H2 TIP3 6621 -1.206 -5.397 2.268 1.00 0.00 WT3 H ATOM 44026 OH2 TIP3 6622 6.590 2.203 -4.760 1.00 0.00 WT3 O ATOM 44027 H1 TIP3 6622 7.385 10.664 -2.790 1.00 0.00 WT3 H ATOM 44028 H2 TIP3 6622 5.651 -2.076 -4.769 1.00 0.00 WT3 H ATOM 44029 OH2 TIP3 6623 -1.318 -1.372 1.945 1.00 0.00 WT3 O ATOM 44030 H1 TIP3 6623 -16.000 -20.871 9.721 1.00 0.00 WT3 H ATOM 44031 H2 TIP3 6623 -6.894 -8.431 5.088 1.00 0.00 WT3 H ATOM 44032 OH2 TIP3 6625 0.090 -6.666 -2.867 1.00 0.00 WT3 O ATOM 44033 H1 TIP3 6625 22.019 9.321 -13.621 1.00 0.00 WT3 H ATOM 44034 H2 TIP3 6625 18.332 20.933 25.788 1.00 0.00 WT3 H ATOM 44035 OH2 TIP3 6627 -6.369 -7.604 -7.016 1.00 0.00 WT3 O ATOM 44036 H1 TIP3 6627 10.695 12.266 -8.657 1.00 0.00 WT3 H ATOM 44037 H2 TIP3 6627 15.557 10.525 -2.060 1.00 0.00 WT3 H ATOM 44038 OH2 TIP3 6628 3.883 -3.549 2.676 1.00 0.00 WT3 O ATOM 44039 H1 TIP3 6628 -5.364 -0.051 5.956 1.00 0.00 WT3 H ATOM 44040 H2 TIP3 6628 25.161 -4.262 -2.912 1.00 0.00 WT3 H ATOM 44041 OH2 TIP3 6629 -2.898 2.088 0.832 1.00 0.00 WT3 O ATOM 44042 H1 TIP3 6629 12.545 2.870 -10.757 1.00 0.00 WT3 H ATOM 44043 H2 TIP3 6629 1.828 14.631 -24.439 1.00 0.00 WT3 H ATOM 44044 OH2 TIP3 6632 3.193 1.544 0.684 1.00 0.00 WT3 O ATOM 44045 H1 TIP3 6632 -7.305 4.026 -9.011 1.00 0.00 WT3 H ATOM 44046 H2 TIP3 6632 14.466 5.874 0.824 1.00 0.00 WT3 H ATOM 44047 OH2 TIP3 6634 -4.130 -4.096 1.042 1.00 0.00 WT3 O ATOM 44048 H1 TIP3 6634 9.082 6.821 -6.869 1.00 0.00 WT3 H ATOM 44049 H2 TIP3 6634 -9.541 -28.920 13.647 1.00 0.00 WT3 H ATOM 44050 OH2 TIP3 6637 1.414 -0.046 -0.833 1.00 0.00 WT3 O ATOM 44051 H1 TIP3 6637 1.541 -9.053 -15.210 1.00 0.00 WT3 H ATOM 44052 H2 TIP3 6637 30.539 -9.082 -16.536 1.00 0.00 WT3 H ATOM 44053 OH2 TIP3 6639 -0.812 -1.426 -1.916 1.00 0.00 WT3 O ATOM 44054 H1 TIP3 6639 -7.456 -3.098 0.557 1.00 0.00 WT3 H ATOM 44055 H2 TIP3 6639 8.467 -1.788 -7.581 1.00 0.00 WT3 H ATOM 44056 OH2 TIP3 6640 1.655 -0.143 4.570 1.00 0.00 WT3 O ATOM 44057 H1 TIP3 6640 11.194 47.404 12.329 1.00 0.00 WT3 H ATOM 44058 H2 TIP3 6640 -2.476 -4.458 -26.999 1.00 0.00 WT3 H ATOM 44059 OH2 TIP3 6641 3.028 -2.196 -3.978 1.00 0.00 WT3 O ATOM 44060 H1 TIP3 6641 5.604 -7.494 24.041 1.00 0.00 WT3 H ATOM 44061 H2 TIP3 6641 12.486 -19.175 -23.844 1.00 0.00 WT3 H ATOM 44062 OH2 TIP3 6644 -2.324 -2.860 -1.207 1.00 0.00 WT3 O ATOM 44063 H1 TIP3 6644 -24.839 9.018 9.101 1.00 0.00 WT3 H ATOM 44064 H2 TIP3 6644 9.520 -15.569 -5.806 1.00 0.00 WT3 H ATOM 44065 OH2 TIP3 6645 -0.233 -0.505 -2.798 1.00 0.00 WT3 O ATOM 44066 H1 TIP3 6645 1.991 -0.001 -4.226 1.00 0.00 WT3 H ATOM 44067 H2 TIP3 6645 -0.159 -2.261 -3.381 1.00 0.00 WT3 H ATOM 44068 OH2 TIP3 6648 -2.602 2.120 5.559 1.00 0.00 WT3 O ATOM 44069 H1 TIP3 6648 1.580 16.571 -23.525 1.00 0.00 WT3 H ATOM 44070 H2 TIP3 6648 -12.426 8.881 16.408 1.00 0.00 WT3 H ATOM 44071 OH2 TIP3 6649 -7.709 -4.259 2.213 1.00 0.00 WT3 O ATOM 44072 H1 TIP3 6649 1.440 -16.019 24.373 1.00 0.00 WT3 H ATOM 44073 H2 TIP3 6649 -35.665 -12.690 1.686 1.00 0.00 WT3 H ATOM 44074 OH2 TIP3 6650 2.483 5.291 1.503 1.00 0.00 WT3 O ATOM 44075 H1 TIP3 6650 23.064 -12.444 -3.383 1.00 0.00 WT3 H ATOM 44076 H2 TIP3 6650 -9.219 -6.531 -6.143 1.00 0.00 WT3 H ATOM 44077 OH2 TIP3 6651 3.723 1.881 -1.141 1.00 0.00 WT3 O ATOM 44078 H1 TIP3 6651 -18.366 9.156 -10.002 1.00 0.00 WT3 H ATOM 44079 H2 TIP3 6651 -1.503 -12.832 10.501 1.00 0.00 WT3 H ATOM 44080 OH2 TIP3 6652 2.597 -3.945 8.195 1.00 0.00 WT3 O ATOM 44081 H1 TIP3 6652 2.485 -11.762 13.157 1.00 0.00 WT3 H ATOM 44082 H2 TIP3 6652 11.725 13.414 3.937 1.00 0.00 WT3 H ATOM 44083 OH2 TIP3 6653 1.434 -0.593 1.027 1.00 0.00 WT3 O ATOM 44084 H1 TIP3 6653 14.120 -8.689 14.484 1.00 0.00 WT3 H ATOM 44085 H2 TIP3 6653 13.103 12.361 -11.613 1.00 0.00 WT3 H ATOM 44086 OH2 TIP3 6655 -1.867 0.388 -5.544 1.00 0.00 WT3 O ATOM 44087 H1 TIP3 6655 -14.542 -10.011 -14.784 1.00 0.00 WT3 H ATOM 44088 H2 TIP3 6655 -1.143 8.982 8.735 1.00 0.00 WT3 H ATOM 44089 OH2 TIP3 6658 7.169 1.937 1.971 1.00 0.00 WT3 O ATOM 44090 H1 TIP3 6658 17.209 -8.435 5.358 1.00 0.00 WT3 H ATOM 44091 H2 TIP3 6658 -15.584 15.134 -1.261 1.00 0.00 WT3 H ATOM 44092 OH2 TIP3 6659 3.801 1.737 3.363 1.00 0.00 WT3 O ATOM 44093 H1 TIP3 6659 -7.466 -5.604 -12.739 1.00 0.00 WT3 H ATOM 44094 H2 TIP3 6659 10.211 1.927 7.269 1.00 0.00 WT3 H ATOM 44095 OH2 TIP3 6660 3.312 -0.928 2.209 1.00 0.00 WT3 O ATOM 44096 H1 TIP3 6660 1.465 3.277 -7.490 1.00 0.00 WT3 H ATOM 44097 H2 TIP3 6660 2.092 9.912 -7.278 1.00 0.00 WT3 H ATOM 44098 OH2 TIP3 6661 2.682 0.237 6.141 1.00 0.00 WT3 O ATOM 44099 H1 TIP3 6661 13.828 0.735 -5.234 1.00 0.00 WT3 H ATOM 44100 H2 TIP3 6661 0.959 -20.603 5.057 1.00 0.00 WT3 H ATOM 44101 OH2 TIP3 6662 -1.845 -1.284 -1.476 1.00 0.00 WT3 O ATOM 44102 H1 TIP3 6662 -4.010 1.404 7.135 1.00 0.00 WT3 H ATOM 44103 H2 TIP3 6662 -6.279 4.703 16.954 1.00 0.00 WT3 H ATOM 44104 OH2 TIP3 6664 0.760 -4.618 2.334 1.00 0.00 WT3 O ATOM 44105 H1 TIP3 6664 -2.506 13.855 6.541 1.00 0.00 WT3 H ATOM 44106 H2 TIP3 6664 -7.592 -9.217 -5.697 1.00 0.00 WT3 H ATOM 44107 OH2 TIP3 6665 2.318 0.908 4.401 1.00 0.00 WT3 O ATOM 44108 H1 TIP3 6665 9.033 15.835 23.716 1.00 0.00 WT3 H ATOM 44109 H2 TIP3 6665 14.055 10.961 5.263 1.00 0.00 WT3 H ATOM 44110 OH2 TIP3 6666 -1.006 -1.334 -0.340 1.00 0.00 WT3 O ATOM 44111 H1 TIP3 6666 10.430 9.049 3.435 1.00 0.00 WT3 H ATOM 44112 H2 TIP3 6666 -13.889 6.594 -11.792 1.00 0.00 WT3 H ATOM 44113 OH2 TIP3 6668 0.442 -4.325 -4.803 1.00 0.00 WT3 O ATOM 44114 H1 TIP3 6668 8.474 4.884 11.722 1.00 0.00 WT3 H ATOM 44115 H2 TIP3 6668 12.226 -6.360 -15.109 1.00 0.00 WT3 H ATOM 44116 OH2 TIP3 6670 8.199 5.332 -1.777 1.00 0.00 WT3 O ATOM 44117 H1 TIP3 6670 -6.567 -8.566 -23.829 1.00 0.00 WT3 H ATOM 44118 H2 TIP3 6670 -4.751 20.939 -5.543 1.00 0.00 WT3 H ATOM 44119 OH2 TIP3 6671 1.328 -0.840 -4.800 1.00 0.00 WT3 O ATOM 44120 H1 TIP3 6671 2.726 -2.431 -2.188 1.00 0.00 WT3 H ATOM 44121 H2 TIP3 6671 -0.738 -0.724 -7.680 1.00 0.00 WT3 H ATOM 44122 OH2 TIP3 6673 1.890 2.001 7.522 1.00 0.00 WT3 O ATOM 44123 H1 TIP3 6673 14.244 5.982 -16.957 1.00 0.00 WT3 H ATOM 44124 H2 TIP3 6673 11.434 4.362 9.036 1.00 0.00 WT3 H ATOM 44125 OH2 TIP3 6674 5.035 -2.704 2.099 1.00 0.00 WT3 O ATOM 44126 H1 TIP3 6674 5.038 -1.960 1.215 1.00 0.00 WT3 H ATOM 44127 H2 TIP3 6674 -1.988 -6.445 3.609 1.00 0.00 WT3 H ATOM 44128 OH2 TIP3 6677 -6.023 -7.927 -6.660 1.00 0.00 WT3 O ATOM 44129 H1 TIP3 6677 1.152 -14.761 -18.303 1.00 0.00 WT3 H ATOM 44130 H2 TIP3 6677 -20.468 -11.621 -9.690 1.00 0.00 WT3 H ATOM 44131 OH2 TIP3 6679 -0.802 -2.531 2.128 1.00 0.00 WT3 O ATOM 44132 H1 TIP3 6679 40.455 -12.356 13.376 1.00 0.00 WT3 H ATOM 44133 H2 TIP3 6679 -9.212 -9.967 -22.953 1.00 0.00 WT3 H ATOM 44134 OH2 TIP3 6680 -2.302 0.825 -0.832 1.00 0.00 WT3 O ATOM 44135 H1 TIP3 6680 -9.552 4.132 4.829 1.00 0.00 WT3 H ATOM 44136 H2 TIP3 6680 -5.777 -6.040 -2.490 1.00 0.00 WT3 H ATOM 44137 OH2 TIP3 6681 2.386 2.198 -8.814 1.00 0.00 WT3 O ATOM 44138 H1 TIP3 6681 7.856 -20.809 16.700 1.00 0.00 WT3 H ATOM 44139 H2 TIP3 6681 -4.534 31.706 -16.992 1.00 0.00 WT3 H ATOM 44140 OH2 TIP3 6682 -2.884 0.205 -2.512 1.00 0.00 WT3 O ATOM 44141 H1 TIP3 6682 -0.045 1.895 -3.882 1.00 0.00 WT3 H ATOM 44142 H2 TIP3 6682 -4.902 2.397 -1.920 1.00 0.00 WT3 H ATOM 44143 OH2 TIP3 6684 5.823 0.437 -2.568 1.00 0.00 WT3 O ATOM 44144 H1 TIP3 6684 -11.724 3.838 1.735 1.00 0.00 WT3 H ATOM 44145 H2 TIP3 6684 -22.662 -1.063 -8.564 1.00 0.00 WT3 H ATOM 44146 OH2 TIP3 6685 -2.456 3.025 1.974 1.00 0.00 WT3 O ATOM 44147 H1 TIP3 6685 8.397 -17.957 22.012 1.00 0.00 WT3 H ATOM 44148 H2 TIP3 6685 -17.821 19.255 -8.854 1.00 0.00 WT3 H ATOM 44149 OH2 TIP3 6686 -2.784 -2.917 -1.587 1.00 0.00 WT3 O ATOM 44150 H1 TIP3 6686 9.146 -15.627 1.946 1.00 0.00 WT3 H ATOM 44151 H2 TIP3 6686 -2.687 -4.848 -3.366 1.00 0.00 WT3 H ATOM 44152 OH2 TIP3 6687 -9.040 -3.275 2.311 1.00 0.00 WT3 O ATOM 44153 H1 TIP3 6687 -6.538 -5.723 17.442 1.00 0.00 WT3 H ATOM 44154 H2 TIP3 6687 -16.064 -16.727 -2.938 1.00 0.00 WT3 H ATOM 44155 OH2 TIP3 6689 -3.826 -0.071 2.040 1.00 0.00 WT3 O ATOM 44156 H1 TIP3 6689 2.811 -5.413 -11.495 1.00 0.00 WT3 H ATOM 44157 H2 TIP3 6689 5.294 -17.844 27.512 1.00 0.00 WT3 H ATOM 44158 OH2 TIP3 6690 11.559 1.224 1.677 1.00 0.00 WT3 O ATOM 44159 H1 TIP3 6690 0.950 18.346 -2.074 1.00 0.00 WT3 H ATOM 44160 H2 TIP3 6690 -15.454 -9.190 -30.343 1.00 0.00 WT3 H ATOM 44161 OH2 TIP3 6691 -2.195 -6.073 -0.387 1.00 0.00 WT3 O ATOM 44162 H1 TIP3 6691 -2.645 -9.505 -6.222 1.00 0.00 WT3 H ATOM 44163 H2 TIP3 6691 0.547 4.922 19.069 1.00 0.00 WT3 H ATOM 44164 OH2 TIP3 6692 -2.270 4.817 -1.277 1.00 0.00 WT3 O ATOM 44165 H1 TIP3 6692 -10.009 16.941 6.445 1.00 0.00 WT3 H ATOM 44166 H2 TIP3 6692 -5.634 7.713 14.356 1.00 0.00 WT3 H ATOM 44167 OH2 TIP3 6694 5.267 5.427 3.948 1.00 0.00 WT3 O ATOM 44168 H1 TIP3 6694 0.581 -10.180 4.141 1.00 0.00 WT3 H ATOM 44169 H2 TIP3 6694 11.497 12.829 15.989 1.00 0.00 WT3 H ATOM 44170 OH2 TIP3 6695 7.152 2.162 -3.746 1.00 0.00 WT3 O ATOM 44171 H1 TIP3 6695 5.038 -32.061 4.562 1.00 0.00 WT3 H ATOM 44172 H2 TIP3 6695 -13.113 -6.300 -2.141 1.00 0.00 WT3 H ATOM 44173 OH2 TIP3 6697 0.470 -4.293 -9.733 1.00 0.00 WT3 O ATOM 44174 H1 TIP3 6697 -17.084 -12.118 4.125 1.00 0.00 WT3 H ATOM 44175 H2 TIP3 6697 9.046 -23.956 -20.310 1.00 0.00 WT3 H ATOM 44176 OH2 TIP3 6698 -0.071 -2.878 6.133 1.00 0.00 WT3 O ATOM 44177 H1 TIP3 6698 1.590 -13.293 -12.793 1.00 0.00 WT3 H ATOM 44178 H2 TIP3 6698 -2.253 -27.737 5.683 1.00 0.00 WT3 H ATOM 44179 OH2 TIP3 6700 -1.145 -1.237 8.386 1.00 0.00 WT3 O ATOM 44180 H1 TIP3 6700 1.234 9.162 18.840 1.00 0.00 WT3 H ATOM 44181 H2 TIP3 6700 -8.499 4.246 0.801 1.00 0.00 WT3 H ATOM 44182 OH2 TIP3 6701 -8.217 -2.260 1.157 1.00 0.00 WT3 O ATOM 44183 H1 TIP3 6701 -6.131 -6.320 1.216 1.00 0.00 WT3 H ATOM 44184 H2 TIP3 6701 -13.425 -5.259 -2.999 1.00 0.00 WT3 H ATOM 44185 OH2 TIP3 6702 -1.297 1.966 -1.691 1.00 0.00 WT3 O ATOM 44186 H1 TIP3 6702 9.633 5.908 -9.706 1.00 0.00 WT3 H ATOM 44187 H2 TIP3 6702 -0.103 -5.371 11.651 1.00 0.00 WT3 H ATOM 44188 OH2 TIP3 6703 -3.993 4.862 8.097 1.00 0.00 WT3 O ATOM 44189 H1 TIP3 6703 -16.375 1.328 5.820 1.00 0.00 WT3 H ATOM 44190 H2 TIP3 6703 23.239 13.041 18.231 1.00 0.00 WT3 H ATOM 44191 OH2 TIP3 6704 -0.820 -1.539 -6.045 1.00 0.00 WT3 O ATOM 44192 H1 TIP3 6704 8.785 -24.641 -6.368 1.00 0.00 WT3 H ATOM 44193 H2 TIP3 6704 21.993 -5.320 -15.521 1.00 0.00 WT3 H ATOM 44194 OH2 TIP3 6705 -2.417 -9.162 1.401 1.00 0.00 WT3 O ATOM 44195 H1 TIP3 6705 8.255 -7.509 7.937 1.00 0.00 WT3 H ATOM 44196 H2 TIP3 6705 -8.866 4.374 5.506 1.00 0.00 WT3 H ATOM 44197 OH2 TIP3 6706 -0.103 3.998 -1.485 1.00 0.00 WT3 O ATOM 44198 H1 TIP3 6706 -8.492 -2.268 7.541 1.00 0.00 WT3 H ATOM 44199 H2 TIP3 6706 -11.648 7.793 -5.192 1.00 0.00 WT3 H ATOM 44200 OH2 TIP3 6708 16.087 3.501 0.052 1.00 0.00 WT3 O ATOM 44201 H1 TIP3 6708 -11.061 -4.303 12.487 1.00 0.00 WT3 H ATOM 44202 H2 TIP3 6708 -15.797 -19.520 12.506 1.00 0.00 WT3 H ATOM 44203 OH2 TIP3 6709 -3.121 10.473 0.280 1.00 0.00 WT3 O ATOM 44204 H1 TIP3 6709 4.699 -12.709 1.993 1.00 0.00 WT3 H ATOM 44205 H2 TIP3 6709 1.434 -0.535 13.290 1.00 0.00 WT3 H ATOM 44206 OH2 TIP3 6710 -1.052 -3.274 4.773 1.00 0.00 WT3 O ATOM 44207 H1 TIP3 6710 3.766 6.641 -3.972 1.00 0.00 WT3 H ATOM 44208 H2 TIP3 6710 11.205 12.238 -18.466 1.00 0.00 WT3 H ATOM 44209 OH2 TIP3 6712 -3.475 -1.318 2.546 1.00 0.00 WT3 O ATOM 44210 H1 TIP3 6712 -1.967 11.598 5.971 1.00 0.00 WT3 H ATOM 44211 H2 TIP3 6712 -4.271 -8.705 0.751 1.00 0.00 WT3 H ATOM 44212 OH2 TIP3 6714 3.108 -0.221 3.703 1.00 0.00 WT3 O ATOM 44213 H1 TIP3 6714 12.434 9.486 -1.063 1.00 0.00 WT3 H ATOM 44214 H2 TIP3 6714 -0.670 -12.969 16.140 1.00 0.00 WT3 H ATOM 44215 OH2 TIP3 6715 2.403 6.882 -0.841 1.00 0.00 WT3 O ATOM 44216 H1 TIP3 6715 -12.076 1.829 3.299 1.00 0.00 WT3 H ATOM 44217 H2 TIP3 6715 -2.226 -3.237 -8.216 1.00 0.00 WT3 H ATOM 44218 OH2 TIP3 6716 -6.976 -1.774 -9.167 1.00 0.00 WT3 O ATOM 44219 H1 TIP3 6716 5.451 -19.471 24.645 1.00 0.00 WT3 H ATOM 44220 H2 TIP3 6716 -6.067 -1.620 -5.927 1.00 0.00 WT3 H ATOM 44221 OH2 TIP3 6717 0.756 4.380 1.588 1.00 0.00 WT3 O ATOM 44222 H1 TIP3 6717 5.996 6.672 -6.545 1.00 0.00 WT3 H ATOM 44223 H2 TIP3 6717 -19.271 2.854 -12.824 1.00 0.00 WT3 H ATOM 44224 OH2 TIP3 6718 -1.873 -1.379 5.857 1.00 0.00 WT3 O ATOM 44225 H1 TIP3 6718 -4.320 0.921 25.222 1.00 0.00 WT3 H ATOM 44226 H2 TIP3 6718 -4.404 -4.160 -2.579 1.00 0.00 WT3 H ATOM 44227 OH2 TIP3 6719 5.976 0.051 9.040 1.00 0.00 WT3 O ATOM 44228 H1 TIP3 6719 5.372 -14.410 18.355 1.00 0.00 WT3 H ATOM 44229 H2 TIP3 6719 21.056 14.493 18.348 1.00 0.00 WT3 H ATOM 44230 OH2 TIP3 6720 5.644 -3.353 -5.003 1.00 0.00 WT3 O ATOM 44231 H1 TIP3 6720 11.288 -15.193 -0.013 1.00 0.00 WT3 H ATOM 44232 H2 TIP3 6720 -4.194 12.083 -13.339 1.00 0.00 WT3 H ATOM 44233 OH2 TIP3 6721 3.966 -2.209 -0.072 1.00 0.00 WT3 O ATOM 44234 H1 TIP3 6721 -23.210 2.355 27.978 1.00 0.00 WT3 H ATOM 44235 H2 TIP3 6721 5.585 -9.015 -5.995 1.00 0.00 WT3 H ATOM 44236 OH2 TIP3 6722 -0.067 -2.847 -8.048 1.00 0.00 WT3 O ATOM 44237 H1 TIP3 6722 0.656 1.100 4.550 1.00 0.00 WT3 H ATOM 44238 H2 TIP3 6722 -15.604 -6.035 -11.088 1.00 0.00 WT3 H ATOM 44239 OH2 TIP3 6723 -0.907 -7.918 1.052 1.00 0.00 WT3 O ATOM 44240 H1 TIP3 6723 -9.045 -5.397 -7.114 1.00 0.00 WT3 H ATOM 44241 H2 TIP3 6723 12.075 -7.854 13.658 1.00 0.00 WT3 H ATOM 44242 OH2 TIP3 6724 1.484 -3.306 3.449 1.00 0.00 WT3 O ATOM 44243 H1 TIP3 6724 -6.374 -0.181 3.313 1.00 0.00 WT3 H ATOM 44244 H2 TIP3 6724 12.927 -2.933 -2.494 1.00 0.00 WT3 H ATOM 44245 OH2 TIP3 6726 2.742 -4.653 1.297 1.00 0.00 WT3 O ATOM 44246 H1 TIP3 6726 -5.740 -5.029 1.950 1.00 0.00 WT3 H ATOM 44247 H2 TIP3 6726 3.752 -0.549 1.548 1.00 0.00 WT3 H ATOM 44248 OH2 TIP3 6727 -7.191 5.221 -0.328 1.00 0.00 WT3 O ATOM 44249 H1 TIP3 6727 -6.294 5.418 3.971 1.00 0.00 WT3 H ATOM 44250 H2 TIP3 6727 8.494 -20.557 -4.176 1.00 0.00 WT3 H ATOM 44251 OH2 TIP3 6728 9.912 2.537 -1.361 1.00 0.00 WT3 O ATOM 44252 H1 TIP3 6728 0.728 -6.837 -26.404 1.00 0.00 WT3 H ATOM 44253 H2 TIP3 6728 11.829 3.233 11.666 1.00 0.00 WT3 H ATOM 44254 OH2 TIP3 6729 -0.711 -2.481 1.286 1.00 0.00 WT3 O ATOM 44255 H1 TIP3 6729 10.286 -0.756 6.985 1.00 0.00 WT3 H ATOM 44256 H2 TIP3 6729 0.467 3.077 6.926 1.00 0.00 WT3 H ATOM 44257 OH2 TIP3 6730 -1.645 5.463 -0.700 1.00 0.00 WT3 O ATOM 44258 H1 TIP3 6730 0.030 -10.597 -7.179 1.00 0.00 WT3 H ATOM 44259 H2 TIP3 6730 -11.977 -9.815 -10.236 1.00 0.00 WT3 H ATOM 44260 OH2 TIP3 6731 -0.677 0.047 1.173 1.00 0.00 WT3 O ATOM 44261 H1 TIP3 6731 -22.690 -1.551 -8.078 1.00 0.00 WT3 H ATOM 44262 H2 TIP3 6731 0.626 -0.060 11.027 1.00 0.00 WT3 H ATOM 44263 OH2 TIP3 6732 1.978 0.882 3.841 1.00 0.00 WT3 O ATOM 44264 H1 TIP3 6732 18.012 10.708 3.038 1.00 0.00 WT3 H ATOM 44265 H2 TIP3 6732 -4.282 11.418 3.333 1.00 0.00 WT3 H ATOM 44266 OH2 TIP3 6733 4.167 -3.815 -2.947 1.00 0.00 WT3 O ATOM 44267 H1 TIP3 6733 2.124 -8.479 6.551 1.00 0.00 WT3 H ATOM 44268 H2 TIP3 6733 7.659 4.174 -16.660 1.00 0.00 WT3 H ATOM 44269 OH2 TIP3 6734 2.375 -3.538 5.874 1.00 0.00 WT3 O ATOM 44270 H1 TIP3 6734 -21.434 -3.948 6.197 1.00 0.00 WT3 H ATOM 44271 H2 TIP3 6734 -36.988 3.352 18.255 1.00 0.00 WT3 H ATOM 44272 OH2 TIP3 6735 0.134 -2.253 -6.391 1.00 0.00 WT3 O ATOM 44273 H1 TIP3 6735 7.893 -1.481 2.016 1.00 0.00 WT3 H ATOM 44274 H2 TIP3 6735 1.035 -2.992 -3.250 1.00 0.00 WT3 H ATOM 44275 OH2 TIP3 6736 -1.373 -1.573 4.754 1.00 0.00 WT3 O ATOM 44276 H1 TIP3 6736 -14.161 -7.643 19.213 1.00 0.00 WT3 H ATOM 44277 H2 TIP3 6736 5.278 0.690 -6.075 1.00 0.00 WT3 H ATOM 44278 OH2 TIP3 6737 4.547 2.131 -4.246 1.00 0.00 WT3 O ATOM 44279 H1 TIP3 6737 6.195 12.512 -36.381 1.00 0.00 WT3 H ATOM 44280 H2 TIP3 6737 16.442 -6.612 7.682 1.00 0.00 WT3 H ATOM 44281 OH2 TIP3 6738 5.450 -2.553 2.415 1.00 0.00 WT3 O ATOM 44282 H1 TIP3 6738 23.359 -4.561 -15.091 1.00 0.00 WT3 H ATOM 44283 H2 TIP3 6738 9.019 -5.385 17.747 1.00 0.00 WT3 H ATOM 44284 OH2 TIP3 6739 0.648 -5.373 2.992 1.00 0.00 WT3 O ATOM 44285 H1 TIP3 6739 -6.305 -6.690 -14.027 1.00 0.00 WT3 H ATOM 44286 H2 TIP3 6739 0.414 -17.186 6.399 1.00 0.00 WT3 H ATOM 44287 OH2 TIP3 6740 0.773 -0.415 -3.394 1.00 0.00 WT3 O ATOM 44288 H1 TIP3 6740 -4.702 3.488 2.260 1.00 0.00 WT3 H ATOM 44289 H2 TIP3 6740 3.686 -3.541 -7.330 1.00 0.00 WT3 H ATOM 44290 OH2 TIP3 6741 -5.691 3.468 -3.543 1.00 0.00 WT3 O ATOM 44291 H1 TIP3 6741 6.323 -6.435 -7.160 1.00 0.00 WT3 H ATOM 44292 H2 TIP3 6741 8.585 19.377 1.036 1.00 0.00 WT3 H ATOM 44293 OH2 TIP3 6742 -0.947 0.370 -4.108 1.00 0.00 WT3 O ATOM 44294 H1 TIP3 6742 -20.780 -10.376 -15.135 1.00 0.00 WT3 H ATOM 44295 H2 TIP3 6742 -5.576 -13.467 -0.264 1.00 0.00 WT3 H ATOM 44296 OH2 TIP3 6743 1.925 -0.771 3.650 1.00 0.00 WT3 O ATOM 44297 H1 TIP3 6743 -8.142 14.747 0.386 1.00 0.00 WT3 H ATOM 44298 H2 TIP3 6743 -15.536 -9.308 8.694 1.00 0.00 WT3 H ATOM 44299 OH2 TIP3 6744 2.789 6.094 7.587 1.00 0.00 WT3 O ATOM 44300 H1 TIP3 6744 1.729 4.039 14.474 1.00 0.00 WT3 H ATOM 44301 H2 TIP3 6744 -5.341 2.619 13.932 1.00 0.00 WT3 H ATOM 44302 OH2 TIP3 6745 -3.428 5.014 3.806 1.00 0.00 WT3 O ATOM 44303 H1 TIP3 6745 -5.591 -17.880 -8.935 1.00 0.00 WT3 H ATOM 44304 H2 TIP3 6745 8.075 18.138 -5.076 1.00 0.00 WT3 H ATOM 44305 OH2 TIP3 6746 -0.173 -8.179 5.068 1.00 0.00 WT3 O ATOM 44306 H1 TIP3 6746 6.364 3.541 12.496 1.00 0.00 WT3 H ATOM 44307 H2 TIP3 6746 -19.599 -5.416 7.200 1.00 0.00 WT3 H ATOM 44308 OH2 TIP3 6747 -2.485 0.963 2.757 1.00 0.00 WT3 O ATOM 44309 H1 TIP3 6747 8.234 -5.608 11.013 1.00 0.00 WT3 H ATOM 44310 H2 TIP3 6747 -7.383 -0.193 -31.769 1.00 0.00 WT3 H ATOM 44311 OH2 TIP3 6749 0.162 -3.780 0.702 1.00 0.00 WT3 O ATOM 44312 H1 TIP3 6749 -14.274 7.874 -4.162 1.00 0.00 WT3 H ATOM 44313 H2 TIP3 6749 -4.385 -11.349 14.088 1.00 0.00 WT3 H ATOM 44314 OH2 TIP3 6750 6.341 -2.350 4.916 1.00 0.00 WT3 O ATOM 44315 H1 TIP3 6750 7.654 -8.088 7.831 1.00 0.00 WT3 H ATOM 44316 H2 TIP3 6750 10.152 7.263 -6.301 1.00 0.00 WT3 H ATOM 44317 OH2 TIP3 6751 -4.798 -11.778 4.797 1.00 0.00 WT3 O ATOM 44318 H1 TIP3 6751 -14.119 -12.328 9.620 1.00 0.00 WT3 H ATOM 44319 H2 TIP3 6751 -21.758 -12.758 13.725 1.00 0.00 WT3 H ATOM 44320 OH2 TIP3 6752 1.350 -6.203 -8.233 1.00 0.00 WT3 O ATOM 44321 H1 TIP3 6752 6.368 -13.697 -12.461 1.00 0.00 WT3 H ATOM 44322 H2 TIP3 6752 8.738 0.318 -4.486 1.00 0.00 WT3 H ATOM 44323 OH2 TIP3 6753 -5.244 -3.679 8.744 1.00 0.00 WT3 O ATOM 44324 H1 TIP3 6753 -2.280 -0.143 19.442 1.00 0.00 WT3 H ATOM 44325 H2 TIP3 6753 21.825 -7.430 23.276 1.00 0.00 WT3 H ATOM 44326 OH2 TIP3 6755 0.372 -0.049 -0.837 1.00 0.00 WT3 O ATOM 44327 H1 TIP3 6755 -0.372 2.528 -0.781 1.00 0.00 WT3 H ATOM 44328 H2 TIP3 6755 0.482 0.210 -3.289 1.00 0.00 WT3 H ATOM 44329 OH2 TIP3 6757 -6.336 3.723 4.274 1.00 0.00 WT3 O ATOM 44330 H1 TIP3 6757 4.559 9.881 18.286 1.00 0.00 WT3 H ATOM 44331 H2 TIP3 6757 3.333 2.713 11.275 1.00 0.00 WT3 H ATOM 44332 OH2 TIP3 6760 0.470 -0.420 1.960 1.00 0.00 WT3 O ATOM 44333 H1 TIP3 6760 2.205 -22.659 3.702 1.00 0.00 WT3 H ATOM 44334 H2 TIP3 6760 5.611 -4.775 0.914 1.00 0.00 WT3 H ATOM 44335 OH2 TIP3 6761 -4.864 -4.475 -0.213 1.00 0.00 WT3 O ATOM 44336 H1 TIP3 6761 6.057 -1.203 -12.979 1.00 0.00 WT3 H ATOM 44337 H2 TIP3 6761 -18.127 -9.721 -6.611 1.00 0.00 WT3 H ATOM 44338 OH2 TIP3 6762 -2.418 1.532 4.665 1.00 0.00 WT3 O ATOM 44339 H1 TIP3 6762 -12.850 8.074 21.590 1.00 0.00 WT3 H ATOM 44340 H2 TIP3 6762 4.923 -3.589 -11.865 1.00 0.00 WT3 H ATOM 44341 OH2 TIP3 6763 4.195 0.669 -0.782 1.00 0.00 WT3 O ATOM 44342 H1 TIP3 6763 0.965 -2.244 -6.699 1.00 0.00 WT3 H ATOM 44343 H2 TIP3 6763 -0.616 6.046 -17.251 1.00 0.00 WT3 H ATOM 44344 OH2 TIP3 6764 -3.359 2.885 -3.977 1.00 0.00 WT3 O ATOM 44345 H1 TIP3 6764 -10.159 26.688 -8.428 1.00 0.00 WT3 H ATOM 44346 H2 TIP3 6764 -5.010 -24.645 -0.207 1.00 0.00 WT3 H ATOM 44347 OH2 TIP3 6765 -1.048 -3.675 -3.137 1.00 0.00 WT3 O ATOM 44348 H1 TIP3 6765 -19.094 7.266 3.049 1.00 0.00 WT3 H ATOM 44349 H2 TIP3 6765 -0.342 -11.324 -21.691 1.00 0.00 WT3 H ATOM 44350 OH2 TIP3 6766 -0.792 -0.227 0.788 1.00 0.00 WT3 O ATOM 44351 H1 TIP3 6766 7.968 18.714 13.835 1.00 0.00 WT3 H ATOM 44352 H2 TIP3 6766 -5.058 -0.468 -14.375 1.00 0.00 WT3 H ATOM 44353 OH2 TIP3 6767 -1.845 0.495 4.287 1.00 0.00 WT3 O ATOM 44354 H1 TIP3 6767 -2.312 6.044 11.201 1.00 0.00 WT3 H ATOM 44355 H2 TIP3 6767 -13.489 -6.593 2.629 1.00 0.00 WT3 H ATOM 44356 OH2 TIP3 6769 -1.892 2.885 2.748 1.00 0.00 WT3 O ATOM 44357 H1 TIP3 6769 -8.452 19.656 0.714 1.00 0.00 WT3 H ATOM 44358 H2 TIP3 6769 -2.255 -13.953 8.067 1.00 0.00 WT3 H ATOM 44359 OH2 TIP3 6770 7.222 1.976 -2.013 1.00 0.00 WT3 O ATOM 44360 H1 TIP3 6770 3.521 -10.849 7.387 1.00 0.00 WT3 H ATOM 44361 H2 TIP3 6770 17.059 11.762 -4.153 1.00 0.00 WT3 H ATOM 44362 OH2 TIP3 6771 -7.229 -3.799 3.017 1.00 0.00 WT3 O ATOM 44363 H1 TIP3 6771 -10.144 -8.410 -18.217 1.00 0.00 WT3 H ATOM 44364 H2 TIP3 6771 11.075 7.721 3.077 1.00 0.00 WT3 H ATOM 44365 OH2 TIP3 6772 2.350 -3.290 -0.169 1.00 0.00 WT3 O ATOM 44366 H1 TIP3 6772 5.982 -6.131 -14.505 1.00 0.00 WT3 H ATOM 44367 H2 TIP3 6772 -0.236 1.272 23.349 1.00 0.00 WT3 H ATOM 44368 OH2 TIP3 6773 -1.407 9.709 -0.890 1.00 0.00 WT3 O ATOM 44369 H1 TIP3 6773 -7.848 14.878 -9.383 1.00 0.00 WT3 H ATOM 44370 H2 TIP3 6773 10.695 1.643 13.745 1.00 0.00 WT3 H ATOM 44371 OH2 TIP3 6774 -7.429 2.362 -1.009 1.00 0.00 WT3 O ATOM 44372 H1 TIP3 6774 -12.220 12.560 11.752 1.00 0.00 WT3 H ATOM 44373 H2 TIP3 6774 -28.110 10.789 -14.344 1.00 0.00 WT3 H ATOM 44374 OH2 TIP3 6775 -2.179 -0.879 -4.246 1.00 0.00 WT3 O ATOM 44375 H1 TIP3 6775 7.697 3.981 3.837 1.00 0.00 WT3 H ATOM 44376 H2 TIP3 6775 -10.622 15.030 -9.404 1.00 0.00 WT3 H ATOM 44377 OH2 TIP3 6776 -2.331 -2.348 -3.340 1.00 0.00 WT3 O ATOM 44378 H1 TIP3 6776 -0.054 -18.128 1.968 1.00 0.00 WT3 H ATOM 44379 H2 TIP3 6776 -1.085 -2.407 6.630 1.00 0.00 WT3 H ATOM 44380 OH2 TIP3 6778 -1.633 -0.579 1.143 1.00 0.00 WT3 O ATOM 44381 H1 TIP3 6778 7.043 0.868 15.149 1.00 0.00 WT3 H ATOM 44382 H2 TIP3 6778 1.386 -5.073 -1.122 1.00 0.00 WT3 H ATOM 44383 OH2 TIP3 6779 2.395 -0.383 -2.292 1.00 0.00 WT3 O ATOM 44384 H1 TIP3 6779 -2.454 -4.104 -7.795 1.00 0.00 WT3 H ATOM 44385 H2 TIP3 6779 13.271 -13.333 -10.563 1.00 0.00 WT3 H ATOM 44386 OH2 TIP3 6780 -3.356 0.854 -1.278 1.00 0.00 WT3 O ATOM 44387 H1 TIP3 6780 -3.712 0.553 -1.274 1.00 0.00 WT3 H ATOM 44388 H2 TIP3 6780 -8.164 8.670 -8.870 1.00 0.00 WT3 H ATOM 44389 OH2 TIP3 6781 5.234 4.128 2.264 1.00 0.00 WT3 O ATOM 44390 H1 TIP3 6781 -0.337 11.291 -9.384 1.00 0.00 WT3 H ATOM 44391 H2 TIP3 6781 15.326 -0.372 4.782 1.00 0.00 WT3 H ATOM 44392 OH2 TIP3 6782 -1.740 -0.948 -1.024 1.00 0.00 WT3 O ATOM 44393 H1 TIP3 6782 -11.181 -14.906 -16.212 1.00 0.00 WT3 H ATOM 44394 H2 TIP3 6782 4.247 6.812 -4.821 1.00 0.00 WT3 H ATOM 44395 OH2 TIP3 6783 -1.362 -0.037 -1.914 1.00 0.00 WT3 O ATOM 44396 H1 TIP3 6783 -17.603 5.682 -17.972 1.00 0.00 WT3 H ATOM 44397 H2 TIP3 6783 5.056 -5.924 15.890 1.00 0.00 WT3 H ATOM 44398 OH2 TIP3 6785 0.264 0.636 6.261 1.00 0.00 WT3 O ATOM 44399 H1 TIP3 6785 0.401 -0.072 9.635 1.00 0.00 WT3 H ATOM 44400 H2 TIP3 6785 -1.950 2.858 6.611 1.00 0.00 WT3 H ATOM 44401 OH2 TIP3 6786 -0.435 -5.102 2.400 1.00 0.00 WT3 O ATOM 44402 H1 TIP3 6786 -3.441 5.035 -7.651 1.00 0.00 WT3 H ATOM 44403 H2 TIP3 6786 0.010 -23.078 7.239 1.00 0.00 WT3 H ATOM 44404 OH2 TIP3 6787 0.494 -0.284 -0.617 1.00 0.00 WT3 O ATOM 44405 H1 TIP3 6787 -29.250 -8.598 -16.882 1.00 0.00 WT3 H ATOM 44406 H2 TIP3 6787 -1.251 -24.500 -0.423 1.00 0.00 WT3 H ATOM 44407 OH2 TIP3 6788 -2.476 -1.446 -3.304 1.00 0.00 WT3 O ATOM 44408 H1 TIP3 6788 21.478 11.136 -25.105 1.00 0.00 WT3 H ATOM 44409 H2 TIP3 6788 -1.788 -16.680 1.609 1.00 0.00 WT3 H ATOM 44410 OH2 TIP3 6789 -2.818 -2.240 4.970 1.00 0.00 WT3 O ATOM 44411 H1 TIP3 6789 -1.371 15.585 15.213 1.00 0.00 WT3 H ATOM 44412 H2 TIP3 6789 -20.517 -13.503 -7.519 1.00 0.00 WT3 H ATOM 44413 OH2 TIP3 6791 -0.159 1.970 0.353 1.00 0.00 WT3 O ATOM 44414 H1 TIP3 6791 8.129 5.438 3.374 1.00 0.00 WT3 H ATOM 44415 H2 TIP3 6791 -6.675 4.156 -8.299 1.00 0.00 WT3 H ATOM 44416 OH2 TIP3 6792 1.703 -2.976 -6.158 1.00 0.00 WT3 O ATOM 44417 H1 TIP3 6792 7.712 -10.069 -11.662 1.00 0.00 WT3 H ATOM 44418 H2 TIP3 6792 -25.563 29.539 10.272 1.00 0.00 WT3 H ATOM 44419 OH2 TIP3 6794 4.167 -1.276 -2.515 1.00 0.00 WT3 O ATOM 44420 H1 TIP3 6794 0.682 32.727 0.903 1.00 0.00 WT3 H ATOM 44421 H2 TIP3 6794 1.561 -2.132 1.805 1.00 0.00 WT3 H ATOM 44422 OH2 TIP3 6795 -4.575 2.229 7.479 1.00 0.00 WT3 O ATOM 44423 H1 TIP3 6795 3.438 9.411 -2.061 1.00 0.00 WT3 H ATOM 44424 H2 TIP3 6795 9.041 14.974 -3.465 1.00 0.00 WT3 H ATOM 44425 OH2 TIP3 6799 4.237 -4.287 2.285 1.00 0.00 WT3 O ATOM 44426 H1 TIP3 6799 5.395 -9.129 -2.065 1.00 0.00 WT3 H ATOM 44427 H2 TIP3 6799 3.426 -17.648 -3.339 1.00 0.00 WT3 H ATOM 44428 OH2 TIP3 6800 0.890 -2.316 5.182 1.00 0.00 WT3 O ATOM 44429 H1 TIP3 6800 -5.941 3.236 1.820 1.00 0.00 WT3 H ATOM 44430 H2 TIP3 6800 -2.416 7.882 -4.238 1.00 0.00 WT3 H ATOM 44431 OH2 TIP3 6802 -0.810 1.127 1.482 1.00 0.00 WT3 O ATOM 44432 H1 TIP3 6802 2.745 -10.730 -7.275 1.00 0.00 WT3 H ATOM 44433 H2 TIP3 6802 -5.966 17.363 11.277 1.00 0.00 WT3 H ATOM 44434 OH2 TIP3 6803 5.730 6.741 2.635 1.00 0.00 WT3 O ATOM 44435 H1 TIP3 6803 28.361 -3.612 -4.891 1.00 0.00 WT3 H ATOM 44436 H2 TIP3 6803 -9.278 10.429 3.119 1.00 0.00 WT3 H ATOM 44437 OH2 TIP3 6804 -3.705 -0.774 -4.847 1.00 0.00 WT3 O ATOM 44438 H1 TIP3 6804 -6.140 -5.846 -4.612 1.00 0.00 WT3 H ATOM 44439 H2 TIP3 6804 -0.917 -6.841 3.976 1.00 0.00 WT3 H ATOM 44440 OH2 TIP3 6806 -2.898 -3.203 -2.820 1.00 0.00 WT3 O ATOM 44441 H1 TIP3 6806 -7.198 3.594 -35.084 1.00 0.00 WT3 H ATOM 44442 H2 TIP3 6806 7.392 -13.275 14.585 1.00 0.00 WT3 H ATOM 44443 OH2 TIP3 6808 5.267 -5.585 0.338 1.00 0.00 WT3 O ATOM 44444 H1 TIP3 6808 32.242 -7.046 3.130 1.00 0.00 WT3 H ATOM 44445 H2 TIP3 6808 4.139 0.913 2.980 1.00 0.00 WT3 H ATOM 44446 OH2 TIP3 6813 0.941 -8.528 -6.115 1.00 0.00 WT3 O ATOM 44447 H1 TIP3 6813 -17.491 -11.520 -4.451 1.00 0.00 WT3 H ATOM 44448 H2 TIP3 6813 23.312 -7.777 -11.617 1.00 0.00 WT3 H ATOM 44449 OH2 TIP3 6814 3.154 0.968 -0.879 1.00 0.00 WT3 O ATOM 44450 H1 TIP3 6814 -15.546 -9.098 4.725 1.00 0.00 WT3 H ATOM 44451 H2 TIP3 6814 -10.599 16.800 18.420 1.00 0.00 WT3 H ATOM 44452 OH2 TIP3 6817 9.410 -1.855 -2.182 1.00 0.00 WT3 O ATOM 44453 H1 TIP3 6817 -0.674 -27.899 -4.559 1.00 0.00 WT3 H ATOM 44454 H2 TIP3 6817 -10.452 11.556 -2.944 1.00 0.00 WT3 H ATOM 44455 OH2 TIP3 6818 3.834 -2.318 -0.805 1.00 0.00 WT3 O ATOM 44456 H1 TIP3 6818 -6.518 -8.663 -1.313 1.00 0.00 WT3 H ATOM 44457 H2 TIP3 6818 -7.454 -9.293 -1.415 1.00 0.00 WT3 H ATOM 44458 OH2 TIP3 6819 4.595 0.118 -1.137 1.00 0.00 WT3 O ATOM 44459 H1 TIP3 6819 6.263 6.653 22.866 1.00 0.00 WT3 H ATOM 44460 H2 TIP3 6819 4.706 -1.505 -12.252 1.00 0.00 WT3 H ATOM 44461 OH2 TIP3 6820 2.527 -0.338 2.643 1.00 0.00 WT3 O ATOM 44462 H1 TIP3 6820 11.339 -2.652 11.120 1.00 0.00 WT3 H ATOM 44463 H2 TIP3 6820 8.960 -2.252 -7.393 1.00 0.00 WT3 H ATOM 44464 OH2 TIP3 6823 -1.882 -0.759 3.194 1.00 0.00 WT3 O ATOM 44465 H1 TIP3 6823 2.308 -5.013 -8.340 1.00 0.00 WT3 H ATOM 44466 H2 TIP3 6823 20.211 13.992 9.197 1.00 0.00 WT3 H ATOM 44467 OH2 TIP3 6824 -5.405 -2.412 -0.873 1.00 0.00 WT3 O ATOM 44468 H1 TIP3 6824 9.898 7.343 -20.877 1.00 0.00 WT3 H ATOM 44469 H2 TIP3 6824 19.800 2.241 -3.131 1.00 0.00 WT3 H ATOM 44470 OH2 TIP3 6825 1.840 -2.328 7.294 1.00 0.00 WT3 O ATOM 44471 H1 TIP3 6825 -2.087 1.615 13.748 1.00 0.00 WT3 H ATOM 44472 H2 TIP3 6825 5.116 -16.148 -13.932 1.00 0.00 WT3 H ATOM 44473 OH2 TIP3 6826 -0.985 -3.337 -6.402 1.00 0.00 WT3 O ATOM 44474 H1 TIP3 6826 -22.006 -16.686 1.258 1.00 0.00 WT3 H ATOM 44475 H2 TIP3 6826 -16.101 19.818 3.716 1.00 0.00 WT3 H ATOM 44476 OH2 TIP3 6827 -1.787 -0.841 0.120 1.00 0.00 WT3 O ATOM 44477 H1 TIP3 6827 -17.865 8.458 3.140 1.00 0.00 WT3 H ATOM 44478 H2 TIP3 6827 -20.138 17.882 -3.225 1.00 0.00 WT3 H ATOM 44479 OH2 TIP3 6837 0.807 3.851 4.094 1.00 0.00 WT3 O ATOM 44480 H1 TIP3 6837 -6.031 14.438 -9.913 1.00 0.00 WT3 H ATOM 44481 H2 TIP3 6837 9.039 -7.940 7.706 1.00 0.00 WT3 H ATOM 44482 OH2 TIP3 6838 -4.701 1.549 3.790 1.00 0.00 WT3 O ATOM 44483 H1 TIP3 6838 -9.843 21.081 4.529 1.00 0.00 WT3 H ATOM 44484 H2 TIP3 6838 2.260 -11.267 15.001 1.00 0.00 WT3 H ATOM 44485 OH2 TIP3 6841 -2.543 1.676 0.920 1.00 0.00 WT3 O ATOM 44486 H1 TIP3 6841 -12.912 -20.341 -14.208 1.00 0.00 WT3 H ATOM 44487 H2 TIP3 6841 -11.604 15.408 -8.904 1.00 0.00 WT3 H ATOM 44488 OH2 TIP3 6842 0.479 2.262 -3.789 1.00 0.00 WT3 O ATOM 44489 H1 TIP3 6842 -0.982 7.818 -4.560 1.00 0.00 WT3 H ATOM 44490 H2 TIP3 6842 23.043 -6.153 3.266 1.00 0.00 WT3 H ATOM 44491 OH2 TIP3 6843 -2.710 -0.959 -3.192 1.00 0.00 WT3 O ATOM 44492 H1 TIP3 6843 0.336 8.855 8.089 1.00 0.00 WT3 H ATOM 44493 H2 TIP3 6843 3.590 -0.836 -17.478 1.00 0.00 WT3 H ATOM 44494 OH2 TIP3 6845 3.299 -0.378 -5.012 1.00 0.00 WT3 O ATOM 44495 H1 TIP3 6845 7.739 8.432 10.711 1.00 0.00 WT3 H ATOM 44496 H2 TIP3 6845 2.109 -11.568 -19.172 1.00 0.00 WT3 H ATOM 44497 OH2 TIP3 6853 0.542 1.812 -0.490 1.00 0.00 WT3 O ATOM 44498 H1 TIP3 6853 -6.563 -13.674 -12.072 1.00 0.00 WT3 H ATOM 44499 H2 TIP3 6853 13.088 -1.285 -0.450 1.00 0.00 WT3 H ATOM 44500 OH2 TIP3 6855 -7.523 3.855 7.722 1.00 0.00 WT3 O ATOM 44501 H1 TIP3 6855 -13.141 8.055 0.898 1.00 0.00 WT3 H ATOM 44502 H2 TIP3 6855 -22.268 30.027 25.592 1.00 0.00 WT3 H ATOM 44503 OH2 TIP3 6857 0.718 1.268 2.858 1.00 0.00 WT3 O ATOM 44504 H1 TIP3 6857 8.012 10.759 2.406 1.00 0.00 WT3 H ATOM 44505 H2 TIP3 6857 -3.358 -3.992 0.328 1.00 0.00 WT3 H ATOM 44506 OH2 TIP3 6860 -1.419 2.809 -3.725 1.00 0.00 WT3 O ATOM 44507 H1 TIP3 6860 -1.068 -29.179 21.858 1.00 0.00 WT3 H ATOM 44508 H2 TIP3 6860 -11.782 20.590 -17.973 1.00 0.00 WT3 H ATOM 44509 OH2 TIP3 6863 -0.979 0.044 -0.551 1.00 0.00 WT3 O ATOM 44510 H1 TIP3 6863 -0.824 7.215 10.444 1.00 0.00 WT3 H ATOM 44511 H2 TIP3 6863 -5.294 4.897 -10.571 1.00 0.00 WT3 H ATOM 44512 OH2 TIP3 6864 2.200 2.713 -7.193 1.00 0.00 WT3 O ATOM 44513 H1 TIP3 6864 -0.581 -2.319 6.510 1.00 0.00 WT3 H ATOM 44514 H2 TIP3 6864 18.304 5.166 -6.878 1.00 0.00 WT3 H ATOM 44515 OH2 TIP3 6865 -5.283 -1.089 3.698 1.00 0.00 WT3 O ATOM 44516 H1 TIP3 6865 8.324 14.792 11.319 1.00 0.00 WT3 H ATOM 44517 H2 TIP3 6865 -15.092 9.231 -22.569 1.00 0.00 WT3 H ATOM 44518 OH2 TIP3 6872 1.964 2.238 4.314 1.00 0.00 WT3 O ATOM 44519 H1 TIP3 6872 23.806 10.463 29.149 1.00 0.00 WT3 H ATOM 44520 H2 TIP3 6872 -4.232 -26.107 2.962 1.00 0.00 WT3 H ATOM 44521 OH2 TIP3 6877 2.019 0.133 -2.590 1.00 0.00 WT3 O ATOM 44522 H1 TIP3 6877 1.140 -1.901 -0.978 1.00 0.00 WT3 H ATOM 44523 H2 TIP3 6877 -9.402 4.056 2.801 1.00 0.00 WT3 H ATOM 44524 OH2 TIP3 6878 -7.051 1.258 5.027 1.00 0.00 WT3 O ATOM 44525 H1 TIP3 6878 4.116 -10.084 2.805 1.00 0.00 WT3 H ATOM 44526 H2 TIP3 6878 -6.724 8.404 5.606 1.00 0.00 WT3 H ATOM 44527 OH2 TIP3 6881 6.381 -5.438 -0.693 1.00 0.00 WT3 O ATOM 44528 H1 TIP3 6881 8.213 -11.194 7.189 1.00 0.00 WT3 H ATOM 44529 H2 TIP3 6881 -2.922 -2.730 -5.623 1.00 0.00 WT3 H ATOM 44530 OH2 TIP3 6892 0.805 -2.981 -2.283 1.00 0.00 WT3 O ATOM 44531 H1 TIP3 6892 20.893 -3.309 -23.729 1.00 0.00 WT3 H ATOM 44532 H2 TIP3 6892 -1.860 4.761 -21.130 1.00 0.00 WT3 H ATOM 44533 OH2 TIP3 6895 -0.224 -1.773 -3.495 1.00 0.00 WT3 O ATOM 44534 H1 TIP3 6895 8.816 5.933 1.680 1.00 0.00 WT3 H ATOM 44535 H2 TIP3 6895 9.915 3.180 -29.462 1.00 0.00 WT3 H ATOM 44536 OH2 TIP3 6896 -8.263 -4.193 -3.527 1.00 0.00 WT3 O ATOM 44537 H1 TIP3 6896 6.098 -13.090 9.060 1.00 0.00 WT3 H ATOM 44538 H2 TIP3 6896 -13.019 -0.700 -9.880 1.00 0.00 WT3 H ATOM 44539 OH2 TIP3 6909 2.097 -1.654 3.158 1.00 0.00 WT3 O ATOM 44540 H1 TIP3 6909 2.812 -7.807 3.854 1.00 0.00 WT3 H ATOM 44541 H2 TIP3 6909 -3.294 -2.770 -2.560 1.00 0.00 WT3 H ATOM 44542 OH2 TIP3 6916 -3.229 -4.904 -5.385 1.00 0.00 WT3 O ATOM 44543 H1 TIP3 6916 -14.135 -4.097 3.055 1.00 0.00 WT3 H ATOM 44544 H2 TIP3 6916 16.602 -5.436 -8.091 1.00 0.00 WT3 H ATOM 44545 OH2 TIP3 6921 3.095 -3.694 -0.342 1.00 0.00 WT3 O ATOM 44546 H1 TIP3 6921 20.694 -16.404 5.735 1.00 0.00 WT3 H ATOM 44547 H2 TIP3 6921 10.947 -1.797 -8.988 1.00 0.00 WT3 H ATOM 44548 OH2 TIP3 6952 -0.787 -2.214 1.070 1.00 0.00 WT3 O ATOM 44549 H1 TIP3 6952 -5.458 -10.209 2.293 1.00 0.00 WT3 H ATOM 44550 H2 TIP3 6952 -9.367 -2.045 24.547 1.00 0.00 WT3 H ATOM 44551 OH2 TIP3 6953 -1.303 3.951 -3.336 1.00 0.00 WT3 O ATOM 44552 H1 TIP3 6953 -19.063 5.452 3.953 1.00 0.00 WT3 H ATOM 44553 H2 TIP3 6953 1.141 23.768 13.498 1.00 0.00 WT3 H ATOM 44554 OH2 TIP3 6955 3.733 -6.237 0.876 1.00 0.00 WT3 O ATOM 44555 H1 TIP3 6955 1.508 1.900 27.167 1.00 0.00 WT3 H ATOM 44556 H2 TIP3 6955 6.685 -9.446 -7.380 1.00 0.00 WT3 H ATOM 44557 OH2 TIP3 6967 1.949 1.528 0.353 1.00 0.00 WT3 O ATOM 44558 H1 TIP3 6967 3.940 -2.769 17.844 1.00 0.00 WT3 H ATOM 44559 H2 TIP3 6967 -4.220 7.991 -13.564 1.00 0.00 WT3 H ATOM 44560 OH2 TIP3 6976 -6.292 -3.468 1.137 1.00 0.00 WT3 O ATOM 44561 H1 TIP3 6976 -14.185 8.468 7.604 1.00 0.00 WT3 H ATOM 44562 H2 TIP3 6976 4.507 0.731 -6.161 1.00 0.00 WT3 H ATOM 44563 OH2 TIP3 6979 -6.273 0.283 3.073 1.00 0.00 WT3 O ATOM 44564 H1 TIP3 6979 -5.995 8.004 -1.368 1.00 0.00 WT3 H ATOM 44565 H2 TIP3 6979 -15.555 -0.491 6.237 1.00 0.00 WT3 H ATOM 44566 OH2 TIP3 6988 4.165 1.918 2.406 1.00 0.00 WT3 O ATOM 44567 H1 TIP3 6988 3.368 9.576 13.433 1.00 0.00 WT3 H ATOM 44568 H2 TIP3 6988 5.935 2.622 2.353 1.00 0.00 WT3 H ATOM 44569 OH2 TIP3 6994 1.602 0.065 3.395 1.00 0.00 WT3 O ATOM 44570 H1 TIP3 6994 -8.220 23.269 10.847 1.00 0.00 WT3 H ATOM 44571 H2 TIP3 6994 -7.551 -8.690 1.765 1.00 0.00 WT3 H ATOM 44572 OH2 TIP3 7003 -2.006 3.123 4.006 1.00 0.00 WT3 O ATOM 44573 H1 TIP3 7003 11.322 -3.271 20.074 1.00 0.00 WT3 H ATOM 44574 H2 TIP3 7003 -4.455 24.220 6.819 1.00 0.00 WT3 H ATOM 44575 OH2 TIP3 7012 2.941 -0.344 1.973 1.00 0.00 WT3 O ATOM 44576 H1 TIP3 7012 -22.388 -10.205 -9.797 1.00 0.00 WT3 H ATOM 44577 H2 TIP3 7012 -6.589 -9.795 -1.689 1.00 0.00 WT3 H ATOM 44578 OH2 TIP3 7016 -6.167 -4.063 5.862 1.00 0.00 WT3 O ATOM 44579 H1 TIP3 7016 -8.398 4.078 -3.224 1.00 0.00 WT3 H ATOM 44580 H2 TIP3 7016 -3.859 -11.777 16.114 1.00 0.00 WT3 H ATOM 44581 OH2 TIP3 7017 0.696 1.442 -3.583 1.00 0.00 WT3 O ATOM 44582 H1 TIP3 7017 4.663 3.948 -5.899 1.00 0.00 WT3 H ATOM 44583 H2 TIP3 7017 -21.192 -5.400 13.998 1.00 0.00 WT3 H ATOM 44584 OH2 TIP3 7019 -0.952 -2.581 1.631 1.00 0.00 WT3 O ATOM 44585 H1 TIP3 7019 -6.566 2.182 -16.250 1.00 0.00 WT3 H ATOM 44586 H2 TIP3 7019 -12.470 -2.335 7.247 1.00 0.00 WT3 H ATOM 44587 OH2 TIP3 7020 -10.067 0.514 0.700 1.00 0.00 WT3 O ATOM 44588 H1 TIP3 7020 -4.116 3.819 -3.887 1.00 0.00 WT3 H ATOM 44589 H2 TIP3 7020 -12.364 -1.256 10.129 1.00 0.00 WT3 H ATOM 44590 OH2 TIP3 7021 7.221 -2.702 -0.446 1.00 0.00 WT3 O ATOM 44591 H1 TIP3 7021 4.344 5.532 9.888 1.00 0.00 WT3 H ATOM 44592 H2 TIP3 7021 10.179 4.790 -18.311 1.00 0.00 WT3 H ATOM 44593 OH2 TIP3 7023 -3.854 -6.471 -1.221 1.00 0.00 WT3 O ATOM 44594 H1 TIP3 7023 6.289 19.475 11.846 1.00 0.00 WT3 H ATOM 44595 H2 TIP3 7023 18.717 -17.339 -12.982 1.00 0.00 WT3 H ATOM 44596 OH2 TIP3 7027 1.019 -0.227 2.199 1.00 0.00 WT3 O ATOM 44597 H1 TIP3 7027 -6.613 -3.761 -2.325 1.00 0.00 WT3 H ATOM 44598 H2 TIP3 7027 -21.197 -13.278 -10.615 1.00 0.00 WT3 H ATOM 44599 OH2 TIP3 7029 1.511 5.963 1.169 1.00 0.00 WT3 O ATOM 44600 H1 TIP3 7029 10.448 3.822 6.692 1.00 0.00 WT3 H ATOM 44601 H2 TIP3 7029 -3.655 0.633 -3.623 1.00 0.00 WT3 H ATOM 44602 OH2 TIP3 7040 -0.799 -1.048 -4.951 1.00 0.00 WT3 O ATOM 44603 H1 TIP3 7040 -4.401 -11.887 -11.352 1.00 0.00 WT3 H ATOM 44604 H2 TIP3 7040 4.345 -6.830 -21.675 1.00 0.00 WT3 H ATOM 44605 OH2 TIP3 7041 -3.053 -6.517 2.857 1.00 0.00 WT3 O ATOM 44606 H1 TIP3 7041 -2.353 -9.336 5.272 1.00 0.00 WT3 H ATOM 44607 H2 TIP3 7041 2.144 -9.000 10.644 1.00 0.00 WT3 H ATOM 44608 OH2 TIP3 7042 -1.194 0.428 -4.038 1.00 0.00 WT3 O ATOM 44609 H1 TIP3 7042 -6.312 8.428 -4.404 1.00 0.00 WT3 H ATOM 44610 H2 TIP3 7042 5.805 6.346 1.369 1.00 0.00 WT3 H ATOM 44611 OH2 TIP3 7043 -4.981 0.933 1.210 1.00 0.00 WT3 O ATOM 44612 H1 TIP3 7043 7.691 10.910 28.846 1.00 0.00 WT3 H ATOM 44613 H2 TIP3 7043 -21.481 -19.545 -5.929 1.00 0.00 WT3 H ATOM 44614 OH2 TIP3 7048 4.683 -1.782 -6.090 1.00 0.00 WT3 O ATOM 44615 H1 TIP3 7048 14.582 3.317 -1.259 1.00 0.00 WT3 H ATOM 44616 H2 TIP3 7048 -7.386 3.708 12.988 1.00 0.00 WT3 H ATOM 44617 OH2 TIP3 7050 0.567 -3.968 1.820 1.00 0.00 WT3 O ATOM 44618 H1 TIP3 7050 -21.931 -29.248 -22.725 1.00 0.00 WT3 H ATOM 44619 H2 TIP3 7050 -14.863 -21.044 -13.310 1.00 0.00 WT3 H ATOM 44620 OH2 TIP3 7051 8.555 -1.073 2.062 1.00 0.00 WT3 O ATOM 44621 H1 TIP3 7051 -3.758 4.614 -9.555 1.00 0.00 WT3 H ATOM 44622 H2 TIP3 7051 16.062 -1.256 11.985 1.00 0.00 WT3 H ATOM 44623 OH2 TIP3 7052 4.125 -0.447 2.465 1.00 0.00 WT3 O ATOM 44624 H1 TIP3 7052 14.160 6.820 -2.432 1.00 0.00 WT3 H ATOM 44625 H2 TIP3 7052 8.816 4.657 -0.551 1.00 0.00 WT3 H ATOM 44626 OH2 TIP3 7053 4.373 -0.416 -6.416 1.00 0.00 WT3 O ATOM 44627 H1 TIP3 7053 2.861 20.919 -5.504 1.00 0.00 WT3 H ATOM 44628 H2 TIP3 7053 27.705 8.501 -8.878 1.00 0.00 WT3 H ATOM 44629 OH2 TIP3 7054 2.691 -10.178 1.677 1.00 0.00 WT3 O ATOM 44630 H1 TIP3 7054 -7.856 18.724 -32.564 1.00 0.00 WT3 H ATOM 44631 H2 TIP3 7054 0.762 -13.531 10.501 1.00 0.00 WT3 H ATOM 44632 OH2 TIP3 7056 -2.600 6.695 5.950 1.00 0.00 WT3 O ATOM 44633 H1 TIP3 7056 -5.832 2.963 8.727 1.00 0.00 WT3 H ATOM 44634 H2 TIP3 7056 8.289 11.300 15.534 1.00 0.00 WT3 H ATOM 44635 OH2 TIP3 7058 3.961 0.211 -0.479 1.00 0.00 WT3 O ATOM 44636 H1 TIP3 7058 0.405 -10.179 26.635 1.00 0.00 WT3 H ATOM 44637 H2 TIP3 7058 19.558 8.665 2.671 1.00 0.00 WT3 H ATOM 44638 OH2 TIP3 7059 -4.429 4.239 -2.257 1.00 0.00 WT3 O ATOM 44639 H1 TIP3 7059 -7.153 -1.321 -8.777 1.00 0.00 WT3 H ATOM 44640 H2 TIP3 7059 4.948 3.687 -4.177 1.00 0.00 WT3 H ATOM 44641 OH2 TIP3 7060 -8.857 4.404 3.812 1.00 0.00 WT3 O ATOM 44642 H1 TIP3 7060 -2.267 9.189 5.475 1.00 0.00 WT3 H ATOM 44643 H2 TIP3 7060 -11.729 7.792 9.944 1.00 0.00 WT3 H ATOM 44644 OH2 TIP3 7062 6.910 3.290 -0.708 1.00 0.00 WT3 O ATOM 44645 H1 TIP3 7062 -3.409 13.080 6.571 1.00 0.00 WT3 H ATOM 44646 H2 TIP3 7062 -10.810 11.707 6.689 1.00 0.00 WT3 H ATOM 44647 OH2 TIP3 7063 2.941 1.733 7.696 1.00 0.00 WT3 O ATOM 44648 H1 TIP3 7063 17.781 10.553 3.553 1.00 0.00 WT3 H ATOM 44649 H2 TIP3 7063 1.371 -5.536 9.180 1.00 0.00 WT3 H ATOM 44650 OH2 TIP3 7065 4.381 -0.624 2.196 1.00 0.00 WT3 O ATOM 44651 H1 TIP3 7065 10.115 -5.697 -0.049 1.00 0.00 WT3 H ATOM 44652 H2 TIP3 7065 -35.103 0.233 11.059 1.00 0.00 WT3 H ATOM 44653 OH2 TIP3 7069 7.187 -7.171 3.880 1.00 0.00 WT3 O ATOM 44654 H1 TIP3 7069 22.323 -13.829 18.441 1.00 0.00 WT3 H ATOM 44655 H2 TIP3 7069 0.063 3.456 -1.902 1.00 0.00 WT3 H ATOM 44656 OH2 TIP3 7071 4.762 7.308 -4.190 1.00 0.00 WT3 O ATOM 44657 H1 TIP3 7071 14.637 9.404 4.589 1.00 0.00 WT3 H ATOM 44658 H2 TIP3 7071 1.437 -8.554 -7.002 1.00 0.00 WT3 H ATOM 44659 OH2 TIP3 7073 2.385 9.465 3.773 1.00 0.00 WT3 O ATOM 44660 H1 TIP3 7073 6.919 3.612 -9.277 1.00 0.00 WT3 H ATOM 44661 H2 TIP3 7073 -4.422 12.792 11.058 1.00 0.00 WT3 H ATOM 44662 OH2 TIP3 7074 4.898 -12.268 -1.642 1.00 0.00 WT3 O ATOM 44663 H1 TIP3 7074 0.082 0.171 1.708 1.00 0.00 WT3 H ATOM 44664 H2 TIP3 7074 0.912 -15.169 -1.416 1.00 0.00 WT3 H ATOM 44665 OH2 TIP3 7075 1.463 4.125 7.447 1.00 0.00 WT3 O ATOM 44666 H1 TIP3 7075 -1.866 8.368 -0.014 1.00 0.00 WT3 H ATOM 44667 H2 TIP3 7075 -9.178 10.125 -12.101 1.00 0.00 WT3 H ATOM 44668 OH2 TIP3 7076 4.000 2.667 1.295 1.00 0.00 WT3 O ATOM 44669 H1 TIP3 7076 9.273 9.768 6.010 1.00 0.00 WT3 H ATOM 44670 H2 TIP3 7076 6.271 3.152 -3.780 1.00 0.00 WT3 H ATOM 44671 OH2 TIP3 7077 -1.939 -2.821 3.257 1.00 0.00 WT3 O ATOM 44672 H1 TIP3 7077 -12.748 -17.811 -6.348 1.00 0.00 WT3 H ATOM 44673 H2 TIP3 7077 -5.049 21.591 2.140 1.00 0.00 WT3 H ATOM 44674 OH2 TIP3 7078 -0.579 -0.479 3.528 1.00 0.00 WT3 O ATOM 44675 H1 TIP3 7078 -8.132 -6.650 -17.819 1.00 0.00 WT3 H ATOM 44676 H2 TIP3 7078 17.310 4.681 21.518 1.00 0.00 WT3 H ATOM 44677 OH2 TIP3 7079 5.206 4.714 -1.317 1.00 0.00 WT3 O ATOM 44678 H1 TIP3 7079 5.457 10.198 -21.922 1.00 0.00 WT3 H ATOM 44679 H2 TIP3 7079 22.823 17.582 -21.420 1.00 0.00 WT3 H ATOM 44680 OH2 TIP3 7081 -3.398 2.109 0.347 1.00 0.00 WT3 O ATOM 44681 H1 TIP3 7081 10.020 -8.074 10.005 1.00 0.00 WT3 H ATOM 44682 H2 TIP3 7081 -10.745 -1.110 -3.145 1.00 0.00 WT3 H ATOM 44683 OH2 TIP3 7082 -0.914 -1.519 4.540 1.00 0.00 WT3 O ATOM 44684 H1 TIP3 7082 5.807 -6.601 2.826 1.00 0.00 WT3 H ATOM 44685 H2 TIP3 7082 8.700 -0.769 8.109 1.00 0.00 WT3 H ATOM 44686 OH2 TIP3 7086 -0.681 -0.188 1.729 1.00 0.00 WT3 O ATOM 44687 H1 TIP3 7086 -14.337 5.836 1.841 1.00 0.00 WT3 H ATOM 44688 H2 TIP3 7086 8.296 11.780 9.468 1.00 0.00 WT3 H ATOM 44689 OH2 TIP3 7088 -10.098 -0.880 -2.834 1.00 0.00 WT3 O ATOM 44690 H1 TIP3 7088 -7.987 -3.475 -3.510 1.00 0.00 WT3 H ATOM 44691 H2 TIP3 7088 -26.057 10.728 -1.025 1.00 0.00 WT3 H ATOM 44692 OH2 TIP3 7089 -2.480 -2.644 -0.470 1.00 0.00 WT3 O ATOM 44693 H1 TIP3 7089 -6.587 0.720 8.392 1.00 0.00 WT3 H ATOM 44694 H2 TIP3 7089 -1.377 -6.399 -12.146 1.00 0.00 WT3 H ATOM 44695 OH2 TIP3 7090 -1.669 -0.224 1.229 1.00 0.00 WT3 O ATOM 44696 H1 TIP3 7090 10.398 4.701 -7.376 1.00 0.00 WT3 H ATOM 44697 H2 TIP3 7090 12.757 9.993 -6.093 1.00 0.00 WT3 H ATOM 44698 OH2 TIP3 7091 -2.758 3.000 -8.140 1.00 0.00 WT3 O ATOM 44699 H1 TIP3 7091 7.382 0.528 -6.515 1.00 0.00 WT3 H ATOM 44700 H2 TIP3 7091 -10.730 0.233 -16.082 1.00 0.00 WT3 H ATOM 44701 OH2 TIP3 7092 -4.760 -5.889 -2.891 1.00 0.00 WT3 O ATOM 44702 H1 TIP3 7092 -10.121 8.370 -2.820 1.00 0.00 WT3 H ATOM 44703 H2 TIP3 7092 -6.903 -6.203 -1.533 1.00 0.00 WT3 H ATOM 44704 OH2 TIP3 7095 3.342 2.777 -1.549 1.00 0.00 WT3 O ATOM 44705 H1 TIP3 7095 -19.784 -8.208 -24.527 1.00 0.00 WT3 H ATOM 44706 H2 TIP3 7095 -14.891 -26.160 -10.288 1.00 0.00 WT3 H ATOM 44707 OH2 TIP3 7096 -1.435 -1.238 -4.475 1.00 0.00 WT3 O ATOM 44708 H1 TIP3 7096 -9.274 -16.820 -4.641 1.00 0.00 WT3 H ATOM 44709 H2 TIP3 7096 -18.184 4.746 -6.383 1.00 0.00 WT3 H ATOM 44710 OH2 TIP3 7097 4.102 1.966 -0.079 1.00 0.00 WT3 O ATOM 44711 H1 TIP3 7097 -1.495 6.631 0.123 1.00 0.00 WT3 H ATOM 44712 H2 TIP3 7097 -8.184 11.864 -0.444 1.00 0.00 WT3 H ATOM 44713 OH2 TIP3 7098 -4.143 -4.633 0.752 1.00 0.00 WT3 O ATOM 44714 H1 TIP3 7098 -17.826 9.311 3.917 1.00 0.00 WT3 H ATOM 44715 H2 TIP3 7098 7.422 -10.268 0.165 1.00 0.00 WT3 H ATOM 44716 OH2 TIP3 7099 -9.870 3.919 -3.996 1.00 0.00 WT3 O ATOM 44717 H1 TIP3 7099 -22.527 1.967 5.853 1.00 0.00 WT3 H ATOM 44718 H2 TIP3 7099 -23.287 -2.826 6.474 1.00 0.00 WT3 H ATOM 44719 OH2 TIP3 7101 2.078 4.796 3.357 1.00 0.00 WT3 O ATOM 44720 H1 TIP3 7101 13.438 10.550 7.981 1.00 0.00 WT3 H ATOM 44721 H2 TIP3 7101 -29.536 -11.780 1.060 1.00 0.00 WT3 H ATOM 44722 OH2 TIP3 7102 4.403 1.588 0.157 1.00 0.00 WT3 O ATOM 44723 H1 TIP3 7102 3.863 -2.809 -11.676 1.00 0.00 WT3 H ATOM 44724 H2 TIP3 7102 15.308 12.202 7.773 1.00 0.00 WT3 H ATOM 44725 OH2 TIP3 7103 -2.165 0.936 -1.308 1.00 0.00 WT3 O ATOM 44726 H1 TIP3 7103 2.145 8.398 -2.877 1.00 0.00 WT3 H ATOM 44727 H2 TIP3 7103 6.767 -3.735 9.303 1.00 0.00 WT3 H ATOM 44728 OH2 TIP3 7104 -0.678 -0.305 3.669 1.00 0.00 WT3 O ATOM 44729 H1 TIP3 7104 -1.374 -5.316 3.878 1.00 0.00 WT3 H ATOM 44730 H2 TIP3 7104 2.225 -4.887 3.637 1.00 0.00 WT3 H ATOM 44731 OH2 TIP3 7106 4.074 -3.028 5.294 1.00 0.00 WT3 O ATOM 44732 H1 TIP3 7106 1.829 -17.268 22.502 1.00 0.00 WT3 H ATOM 44733 H2 TIP3 7106 -7.336 8.100 11.645 1.00 0.00 WT3 H ATOM 44734 OH2 TIP3 7111 0.758 -6.190 -3.299 1.00 0.00 WT3 O ATOM 44735 H1 TIP3 7111 -3.726 -2.484 12.807 1.00 0.00 WT3 H ATOM 44736 H2 TIP3 7111 5.457 -8.127 -13.365 1.00 0.00 WT3 H ATOM 44737 OH2 TIP3 7113 -0.232 0.762 -3.838 1.00 0.00 WT3 O ATOM 44738 H1 TIP3 7113 -1.364 -15.267 18.058 1.00 0.00 WT3 H ATOM 44739 H2 TIP3 7113 3.998 -17.764 -26.896 1.00 0.00 WT3 H ATOM 44740 OH2 TIP3 7114 -1.658 6.934 -0.175 1.00 0.00 WT3 O ATOM 44741 H1 TIP3 7114 2.164 7.336 -5.414 1.00 0.00 WT3 H ATOM 44742 H2 TIP3 7114 -5.675 -6.449 25.682 1.00 0.00 WT3 H ATOM 44743 OH2 TIP3 7115 -1.203 3.211 -4.654 1.00 0.00 WT3 O ATOM 44744 H1 TIP3 7115 12.276 -0.944 1.466 1.00 0.00 WT3 H ATOM 44745 H2 TIP3 7115 -10.807 7.528 -10.282 1.00 0.00 WT3 H ATOM 44746 OH2 TIP3 7117 3.577 0.958 5.677 1.00 0.00 WT3 O ATOM 44747 H1 TIP3 7117 15.523 1.536 -7.556 1.00 0.00 WT3 H ATOM 44748 H2 TIP3 7117 2.662 8.934 8.442 1.00 0.00 WT3 H ATOM 44749 OH2 TIP3 7118 1.373 3.594 7.213 1.00 0.00 WT3 O ATOM 44750 H1 TIP3 7118 9.113 0.194 -22.515 1.00 0.00 WT3 H ATOM 44751 H2 TIP3 7118 -3.366 -3.467 -17.049 1.00 0.00 WT3 H ATOM 44752 OH2 TIP3 7119 5.031 -4.506 1.608 1.00 0.00 WT3 O ATOM 44753 H1 TIP3 7119 12.935 -2.323 -6.459 1.00 0.00 WT3 H ATOM 44754 H2 TIP3 7119 0.939 -2.803 12.704 1.00 0.00 WT3 H ATOM 44755 OH2 TIP3 7120 -1.754 -4.032 0.593 1.00 0.00 WT3 O ATOM 44756 H1 TIP3 7120 -2.223 -19.541 13.668 1.00 0.00 WT3 H ATOM 44757 H2 TIP3 7120 -2.294 -6.320 -3.866 1.00 0.00 WT3 H ATOM 44758 OH2 TIP3 7121 -0.173 -0.200 -0.431 1.00 0.00 WT3 O ATOM 44759 H1 TIP3 7121 3.751 25.842 -11.893 1.00 0.00 WT3 H ATOM 44760 H2 TIP3 7121 -19.028 6.641 20.176 1.00 0.00 WT3 H ATOM 44761 OH2 TIP3 7122 2.065 -6.894 -4.170 1.00 0.00 WT3 O ATOM 44762 H1 TIP3 7122 -1.666 7.834 4.226 1.00 0.00 WT3 H ATOM 44763 H2 TIP3 7122 -8.752 -11.673 -4.872 1.00 0.00 WT3 H ATOM 44764 OH2 TIP3 7123 2.785 2.420 -0.122 1.00 0.00 WT3 O ATOM 44765 H1 TIP3 7123 -6.486 11.008 5.382 1.00 0.00 WT3 H ATOM 44766 H2 TIP3 7123 8.137 12.035 -1.716 1.00 0.00 WT3 H ATOM 44767 OH2 TIP3 7126 -2.129 1.812 -0.230 1.00 0.00 WT3 O ATOM 44768 H1 TIP3 7126 7.879 -7.161 -11.726 1.00 0.00 WT3 H ATOM 44769 H2 TIP3 7126 1.017 0.401 -3.106 1.00 0.00 WT3 H ATOM 44770 OH2 TIP3 7127 2.468 -1.377 1.741 1.00 0.00 WT3 O ATOM 44771 H1 TIP3 7127 15.928 -3.234 -1.839 1.00 0.00 WT3 H ATOM 44772 H2 TIP3 7127 -8.844 0.647 -8.531 1.00 0.00 WT3 H ATOM 44773 OH2 TIP3 7128 2.594 -2.086 -1.675 1.00 0.00 WT3 O ATOM 44774 H1 TIP3 7128 -8.324 1.394 -5.746 1.00 0.00 WT3 H ATOM 44775 H2 TIP3 7128 17.094 -7.850 -0.813 1.00 0.00 WT3 H ATOM 44776 OH2 TIP3 7129 4.652 3.238 2.305 1.00 0.00 WT3 O ATOM 44777 H1 TIP3 7129 -1.497 -27.178 -0.147 1.00 0.00 WT3 H ATOM 44778 H2 TIP3 7129 9.627 1.730 34.778 1.00 0.00 WT3 H ATOM 44779 OH2 TIP3 7131 -0.425 -3.881 0.762 1.00 0.00 WT3 O ATOM 44780 H1 TIP3 7131 0.647 11.083 -10.688 1.00 0.00 WT3 H ATOM 44781 H2 TIP3 7131 -1.939 -34.698 21.768 1.00 0.00 WT3 H ATOM 44782 OH2 TIP3 7133 -0.565 -9.033 0.645 1.00 0.00 WT3 O ATOM 44783 H1 TIP3 7133 -3.726 -13.227 -9.402 1.00 0.00 WT3 H ATOM 44784 H2 TIP3 7133 10.892 -15.968 -0.494 1.00 0.00 WT3 H ATOM 44785 OH2 TIP3 7134 0.912 1.069 -3.346 1.00 0.00 WT3 O ATOM 44786 H1 TIP3 7134 42.964 -12.005 7.574 1.00 0.00 WT3 H ATOM 44787 H2 TIP3 7134 10.088 -2.613 0.706 1.00 0.00 WT3 H ATOM 44788 OH2 TIP3 7135 2.178 2.037 2.055 1.00 0.00 WT3 O ATOM 44789 H1 TIP3 7135 -16.558 5.371 17.010 1.00 0.00 WT3 H ATOM 44790 H2 TIP3 7135 -2.917 -17.250 -4.098 1.00 0.00 WT3 H ATOM 44791 OH2 TIP3 7136 1.613 5.842 -1.102 1.00 0.00 WT3 O ATOM 44792 H1 TIP3 7136 1.642 4.423 23.398 1.00 0.00 WT3 H ATOM 44793 H2 TIP3 7136 2.126 6.585 -16.584 1.00 0.00 WT3 H ATOM 44794 OH2 TIP3 7137 1.635 -4.371 -3.864 1.00 0.00 WT3 O ATOM 44795 H1 TIP3 7137 -36.020 5.533 -1.490 1.00 0.00 WT3 H ATOM 44796 H2 TIP3 7137 18.029 -6.530 12.105 1.00 0.00 WT3 H ATOM 44797 OH2 TIP3 7139 0.422 0.609 -3.861 1.00 0.00 WT3 O ATOM 44798 H1 TIP3 7139 18.225 13.185 2.827 1.00 0.00 WT3 H ATOM 44799 H2 TIP3 7139 -10.304 -5.872 -29.533 1.00 0.00 WT3 H ATOM 44800 OH2 TIP3 7140 8.622 -5.905 -1.728 1.00 0.00 WT3 O ATOM 44801 H1 TIP3 7140 0.570 5.551 8.592 1.00 0.00 WT3 H ATOM 44802 H2 TIP3 7140 24.787 -22.866 -3.802 1.00 0.00 WT3 H ATOM 44803 OH2 TIP3 7141 1.067 0.833 -0.920 1.00 0.00 WT3 O ATOM 44804 H1 TIP3 7141 0.435 -3.348 3.955 1.00 0.00 WT3 H ATOM 44805 H2 TIP3 7141 -3.738 1.629 -4.771 1.00 0.00 WT3 H ATOM 44806 OH2 TIP3 7142 7.181 -3.029 -7.429 1.00 0.00 WT3 O ATOM 44807 H1 TIP3 7142 -7.886 -5.275 3.763 1.00 0.00 WT3 H ATOM 44808 H2 TIP3 7142 -6.437 -4.429 -3.098 1.00 0.00 WT3 H ATOM 44809 OH2 TIP3 7143 3.111 0.665 0.163 1.00 0.00 WT3 O ATOM 44810 H1 TIP3 7143 6.516 12.858 9.073 1.00 0.00 WT3 H ATOM 44811 H2 TIP3 7143 4.536 -12.453 -5.508 1.00 0.00 WT3 H ATOM 44812 OH2 TIP3 7144 -1.866 -1.333 -6.481 1.00 0.00 WT3 O ATOM 44813 H1 TIP3 7144 -4.554 -10.063 4.404 1.00 0.00 WT3 H ATOM 44814 H2 TIP3 7144 4.651 -4.525 -18.943 1.00 0.00 WT3 H ATOM 44815 OH2 TIP3 7145 -4.807 -1.542 0.534 1.00 0.00 WT3 O ATOM 44816 H1 TIP3 7145 4.818 1.314 -14.616 1.00 0.00 WT3 H ATOM 44817 H2 TIP3 7145 -6.792 3.327 1.392 1.00 0.00 WT3 H ATOM 44818 OH2 TIP3 7146 -9.198 0.151 -0.834 1.00 0.00 WT3 O ATOM 44819 H1 TIP3 7146 -5.752 0.103 14.908 1.00 0.00 WT3 H ATOM 44820 H2 TIP3 7146 -3.242 -11.150 -5.770 1.00 0.00 WT3 H ATOM 44821 OH2 TIP3 7147 -1.380 -2.324 1.158 1.00 0.00 WT3 O ATOM 44822 H1 TIP3 7147 -0.235 7.703 5.474 1.00 0.00 WT3 H ATOM 44823 H2 TIP3 7147 -0.509 -9.930 -0.129 1.00 0.00 WT3 H ATOM 44824 OH2 TIP3 7148 -2.574 4.423 -4.410 1.00 0.00 WT3 O ATOM 44825 H1 TIP3 7148 -7.067 10.406 -14.962 1.00 0.00 WT3 H ATOM 44826 H2 TIP3 7148 -11.300 -11.094 0.460 1.00 0.00 WT3 H ATOM 44827 OH2 TIP3 7150 2.119 2.071 -2.274 1.00 0.00 WT3 O ATOM 44828 H1 TIP3 7150 20.024 -2.468 3.994 1.00 0.00 WT3 H ATOM 44829 H2 TIP3 7150 -8.860 1.522 1.144 1.00 0.00 WT3 H ATOM 44830 OH2 TIP3 7152 1.893 0.549 0.825 1.00 0.00 WT3 O ATOM 44831 H1 TIP3 7152 -12.343 -8.155 14.702 1.00 0.00 WT3 H ATOM 44832 H2 TIP3 7152 -2.237 -9.281 9.063 1.00 0.00 WT3 H ATOM 44833 OH2 TIP3 7153 -0.024 -0.814 10.029 1.00 0.00 WT3 O ATOM 44834 H1 TIP3 7153 -5.222 17.184 20.782 1.00 0.00 WT3 H ATOM 44835 H2 TIP3 7153 3.869 -19.682 14.303 1.00 0.00 WT3 H ATOM 44836 OH2 TIP3 7154 -6.247 0.480 -1.321 1.00 0.00 WT3 O ATOM 44837 H1 TIP3 7154 -1.780 -3.485 -15.530 1.00 0.00 WT3 H ATOM 44838 H2 TIP3 7154 17.858 3.447 30.026 1.00 0.00 WT3 H ATOM 44839 OH2 TIP3 7155 -8.457 8.688 -4.385 1.00 0.00 WT3 O ATOM 44840 H1 TIP3 7155 5.679 5.789 4.712 1.00 0.00 WT3 H ATOM 44841 H2 TIP3 7155 -15.372 -2.634 -2.589 1.00 0.00 WT3 H ATOM 44842 OH2 TIP3 7156 11.416 -3.431 2.309 1.00 0.00 WT3 O ATOM 44843 H1 TIP3 7156 14.936 -14.168 8.521 1.00 0.00 WT3 H ATOM 44844 H2 TIP3 7156 8.736 -5.734 5.965 1.00 0.00 WT3 H ATOM 44845 OH2 TIP3 7157 0.501 -0.854 2.502 1.00 0.00 WT3 O ATOM 44846 H1 TIP3 7157 3.724 6.565 0.882 1.00 0.00 WT3 H ATOM 44847 H2 TIP3 7157 -2.845 -1.551 4.640 1.00 0.00 WT3 H ATOM 44848 OH2 TIP3 7158 -4.017 -3.005 1.836 1.00 0.00 WT3 O ATOM 44849 H1 TIP3 7158 24.659 11.321 -15.564 1.00 0.00 WT3 H ATOM 44850 H2 TIP3 7158 -17.090 -1.711 -9.521 1.00 0.00 WT3 H ATOM 44851 OH2 TIP3 7159 -4.944 -2.826 -3.593 1.00 0.00 WT3 O ATOM 44852 H1 TIP3 7159 2.493 -3.583 8.387 1.00 0.00 WT3 H ATOM 44853 H2 TIP3 7159 8.623 -3.330 19.245 1.00 0.00 WT3 H ATOM 44854 OH2 TIP3 7160 -1.210 -2.507 0.620 1.00 0.00 WT3 O ATOM 44855 H1 TIP3 7160 10.012 -22.892 -15.075 1.00 0.00 WT3 H ATOM 44856 H2 TIP3 7160 11.278 -3.426 25.454 1.00 0.00 WT3 H ATOM 44857 OH2 TIP3 7161 6.167 1.097 1.999 1.00 0.00 WT3 O ATOM 44858 H1 TIP3 7161 -13.141 -8.048 11.309 1.00 0.00 WT3 H ATOM 44859 H2 TIP3 7161 18.390 0.661 6.056 1.00 0.00 WT3 H ATOM 44860 OH2 TIP3 7162 -8.847 1.415 1.911 1.00 0.00 WT3 O ATOM 44861 H1 TIP3 7162 -16.059 -24.736 -11.027 1.00 0.00 WT3 H ATOM 44862 H2 TIP3 7162 -4.877 0.484 -17.288 1.00 0.00 WT3 H ATOM 44863 OH2 TIP3 7163 -0.669 1.998 1.633 1.00 0.00 WT3 O ATOM 44864 H1 TIP3 7163 -6.375 -1.428 7.107 1.00 0.00 WT3 H ATOM 44865 H2 TIP3 7163 4.850 18.433 -11.151 1.00 0.00 WT3 H ATOM 44866 OH2 TIP3 7164 1.420 -6.540 -4.614 1.00 0.00 WT3 O ATOM 44867 H1 TIP3 7164 -16.576 -2.691 10.197 1.00 0.00 WT3 H ATOM 44868 H2 TIP3 7164 13.933 -4.955 7.027 1.00 0.00 WT3 H ATOM 44869 OH2 TIP3 7165 0.786 4.256 -2.098 1.00 0.00 WT3 O ATOM 44870 H1 TIP3 7165 37.892 -27.957 -7.446 1.00 0.00 WT3 H ATOM 44871 H2 TIP3 7165 -14.581 4.071 22.533 1.00 0.00 WT3 H ATOM 44872 OH2 TIP3 7166 0.594 0.130 4.206 1.00 0.00 WT3 O ATOM 44873 H1 TIP3 7166 5.053 1.320 -7.076 1.00 0.00 WT3 H ATOM 44874 H2 TIP3 7166 11.892 -8.638 12.359 1.00 0.00 WT3 H ATOM 44875 OH2 TIP3 7167 -0.570 -2.590 -3.123 1.00 0.00 WT3 O ATOM 44876 H1 TIP3 7167 -12.826 -11.336 2.936 1.00 0.00 WT3 H ATOM 44877 H2 TIP3 7167 8.365 -3.496 -7.669 1.00 0.00 WT3 H ATOM 44878 OH2 TIP3 7168 -8.582 1.971 -10.954 1.00 0.00 WT3 O ATOM 44879 H1 TIP3 7168 -19.369 24.605 -17.054 1.00 0.00 WT3 H ATOM 44880 H2 TIP3 7168 -2.163 -14.776 -9.043 1.00 0.00 WT3 H ATOM 44881 OH2 TIP3 7169 -1.926 -2.952 2.902 1.00 0.00 WT3 O ATOM 44882 H1 TIP3 7169 -15.311 4.586 -8.957 1.00 0.00 WT3 H ATOM 44883 H2 TIP3 7169 -0.526 -15.981 5.493 1.00 0.00 WT3 H ATOM 44884 OH2 TIP3 7170 -1.346 1.628 3.052 1.00 0.00 WT3 O ATOM 44885 H1 TIP3 7170 -26.444 6.905 11.090 1.00 0.00 WT3 H ATOM 44886 H2 TIP3 7170 7.733 0.448 7.961 1.00 0.00 WT3 H ATOM 44887 OH2 TIP3 7172 2.297 1.275 9.371 1.00 0.00 WT3 O ATOM 44888 H1 TIP3 7172 8.927 5.095 2.956 1.00 0.00 WT3 H ATOM 44889 H2 TIP3 7172 -4.998 5.373 7.848 1.00 0.00 WT3 H ATOM 44890 OH2 TIP3 7173 1.424 -6.411 -1.366 1.00 0.00 WT3 O ATOM 44891 H1 TIP3 7173 24.187 10.991 -24.384 1.00 0.00 WT3 H ATOM 44892 H2 TIP3 7173 20.617 10.850 -14.954 1.00 0.00 WT3 H ATOM 44893 OH2 TIP3 7175 5.220 -1.305 -3.593 1.00 0.00 WT3 O ATOM 44894 H1 TIP3 7175 14.627 11.230 -10.244 1.00 0.00 WT3 H ATOM 44895 H2 TIP3 7175 16.732 8.270 -7.465 1.00 0.00 WT3 H ATOM 44896 OH2 TIP3 7177 -0.729 -5.437 5.047 1.00 0.00 WT3 O ATOM 44897 H1 TIP3 7177 -18.421 14.023 -8.312 1.00 0.00 WT3 H ATOM 44898 H2 TIP3 7177 -2.627 -3.733 6.062 1.00 0.00 WT3 H ATOM 44899 OH2 TIP3 7178 1.139 5.992 -0.571 1.00 0.00 WT3 O ATOM 44900 H1 TIP3 7178 0.505 22.379 7.978 1.00 0.00 WT3 H ATOM 44901 H2 TIP3 7178 10.822 -7.957 -12.152 1.00 0.00 WT3 H ATOM 44902 OH2 TIP3 7180 -1.773 -2.307 0.073 1.00 0.00 WT3 O ATOM 44903 H1 TIP3 7180 -18.364 8.222 -2.177 1.00 0.00 WT3 H ATOM 44904 H2 TIP3 7180 9.077 6.093 -2.250 1.00 0.00 WT3 H ATOM 44905 OH2 TIP3 7181 -6.956 6.288 2.483 1.00 0.00 WT3 O ATOM 44906 H1 TIP3 7181 5.599 7.564 11.102 1.00 0.00 WT3 H ATOM 44907 H2 TIP3 7181 16.916 16.167 9.131 1.00 0.00 WT3 H ATOM 44908 OH2 TIP3 7182 -1.190 0.617 1.019 1.00 0.00 WT3 O ATOM 44909 H1 TIP3 7182 16.813 20.879 -7.421 1.00 0.00 WT3 H ATOM 44910 H2 TIP3 7182 5.344 15.946 -26.092 1.00 0.00 WT3 H ATOM 44911 OH2 TIP3 7183 3.871 0.547 -1.608 1.00 0.00 WT3 O ATOM 44912 H1 TIP3 7183 17.150 12.370 2.292 1.00 0.00 WT3 H ATOM 44913 H2 TIP3 7183 2.580 -11.018 -0.159 1.00 0.00 WT3 H ATOM 44914 OH2 TIP3 7184 -4.104 3.248 -0.456 1.00 0.00 WT3 O ATOM 44915 H1 TIP3 7184 10.545 8.167 -8.454 1.00 0.00 WT3 H ATOM 44916 H2 TIP3 7184 -12.421 1.428 4.111 1.00 0.00 WT3 H ATOM 44917 OH2 TIP3 7186 1.209 1.890 2.093 1.00 0.00 WT3 O ATOM 44918 H1 TIP3 7186 6.288 4.469 4.371 1.00 0.00 WT3 H ATOM 44919 H2 TIP3 7186 -2.843 -3.171 -1.646 1.00 0.00 WT3 H ATOM 44920 OH2 TIP3 7187 0.296 -0.745 -4.619 1.00 0.00 WT3 O ATOM 44921 H1 TIP3 7187 7.550 -2.660 9.387 1.00 0.00 WT3 H ATOM 44922 H2 TIP3 7187 -12.067 -7.485 9.233 1.00 0.00 WT3 H ATOM 44923 OH2 TIP3 7189 -2.345 0.332 0.881 1.00 0.00 WT3 O ATOM 44924 H1 TIP3 7189 -16.693 -14.944 -21.169 1.00 0.00 WT3 H ATOM 44925 H2 TIP3 7189 -4.495 11.990 6.371 1.00 0.00 WT3 H ATOM 44926 OH2 TIP3 7190 2.145 -2.362 0.604 1.00 0.00 WT3 O ATOM 44927 H1 TIP3 7190 -15.170 1.841 -5.861 1.00 0.00 WT3 H ATOM 44928 H2 TIP3 7190 12.520 -1.302 -12.945 1.00 0.00 WT3 H ATOM 44929 OH2 TIP3 7191 1.394 7.512 -0.416 1.00 0.00 WT3 O ATOM 44930 H1 TIP3 7191 2.177 -7.809 5.204 1.00 0.00 WT3 H ATOM 44931 H2 TIP3 7191 -12.040 -34.487 4.314 1.00 0.00 WT3 H ATOM 44932 OH2 TIP3 7192 -0.641 1.158 -0.077 1.00 0.00 WT3 O ATOM 44933 H1 TIP3 7192 8.376 -5.319 -22.516 1.00 0.00 WT3 H ATOM 44934 H2 TIP3 7192 -10.148 6.935 -19.702 1.00 0.00 WT3 H ATOM 44935 OH2 TIP3 7193 -9.063 -1.675 2.010 1.00 0.00 WT3 O ATOM 44936 H1 TIP3 7193 2.224 0.175 -3.742 1.00 0.00 WT3 H ATOM 44937 H2 TIP3 7193 -16.090 6.418 4.280 1.00 0.00 WT3 H ATOM 44938 OH2 TIP3 7194 1.217 -11.032 -3.311 1.00 0.00 WT3 O ATOM 44939 H1 TIP3 7194 2.115 -1.709 -3.145 1.00 0.00 WT3 H ATOM 44940 H2 TIP3 7194 19.255 -21.977 -21.063 1.00 0.00 WT3 H ATOM 44941 OH2 TIP3 7195 0.317 0.045 2.259 1.00 0.00 WT3 O ATOM 44942 H1 TIP3 7195 -13.320 1.004 8.257 1.00 0.00 WT3 H ATOM 44943 H2 TIP3 7195 -6.816 8.481 -14.877 1.00 0.00 WT3 H ATOM 44944 OH2 TIP3 7196 -2.172 -4.471 -0.913 1.00 0.00 WT3 O ATOM 44945 H1 TIP3 7196 -14.088 -14.957 -6.146 1.00 0.00 WT3 H ATOM 44946 H2 TIP3 7196 4.316 -4.137 -3.825 1.00 0.00 WT3 H ATOM 44947 OH2 TIP3 7197 0.078 -4.452 -5.950 1.00 0.00 WT3 O ATOM 44948 H1 TIP3 7197 2.198 -11.412 -5.403 1.00 0.00 WT3 H ATOM 44949 H2 TIP3 7197 7.175 -5.004 3.095 1.00 0.00 WT3 H ATOM 44950 OH2 TIP3 7198 -1.074 1.264 -5.251 1.00 0.00 WT3 O ATOM 44951 H1 TIP3 7198 14.012 -11.267 18.788 1.00 0.00 WT3 H ATOM 44952 H2 TIP3 7198 12.430 -4.369 5.034 1.00 0.00 WT3 H ATOM 44953 OH2 TIP3 7199 -0.313 -6.623 3.051 1.00 0.00 WT3 O ATOM 44954 H1 TIP3 7199 3.605 -10.305 -0.605 1.00 0.00 WT3 H ATOM 44955 H2 TIP3 7199 -0.718 -4.373 6.873 1.00 0.00 WT3 H ATOM 44956 OH2 TIP3 7200 3.459 -1.672 1.087 1.00 0.00 WT3 O ATOM 44957 H1 TIP3 7200 -14.012 -6.385 33.220 1.00 0.00 WT3 H ATOM 44958 H2 TIP3 7200 -1.058 -24.600 3.379 1.00 0.00 WT3 H ATOM 44959 OH2 TIP3 7201 5.858 -0.435 5.473 1.00 0.00 WT3 O ATOM 44960 H1 TIP3 7201 12.446 -1.359 0.074 1.00 0.00 WT3 H ATOM 44961 H2 TIP3 7201 6.244 1.684 4.996 1.00 0.00 WT3 H ATOM 44962 OH2 TIP3 7202 3.893 -3.426 0.196 1.00 0.00 WT3 O ATOM 44963 H1 TIP3 7202 15.100 1.479 4.560 1.00 0.00 WT3 H ATOM 44964 H2 TIP3 7202 -32.511 9.954 -11.243 1.00 0.00 WT3 H ATOM 44965 OH2 TIP3 7203 -2.692 1.573 2.114 1.00 0.00 WT3 O ATOM 44966 H1 TIP3 7203 16.036 5.692 -0.868 1.00 0.00 WT3 H ATOM 44967 H2 TIP3 7203 -6.496 -4.165 -4.126 1.00 0.00 WT3 H ATOM 44968 OH2 TIP3 7204 0.393 2.682 1.137 1.00 0.00 WT3 O ATOM 44969 H1 TIP3 7204 -16.329 5.121 -5.694 1.00 0.00 WT3 H ATOM 44970 H2 TIP3 7204 -2.051 -7.103 9.616 1.00 0.00 WT3 H ATOM 44971 OH2 TIP3 7205 -1.616 4.909 0.234 1.00 0.00 WT3 O ATOM 44972 H1 TIP3 7205 -5.890 13.175 11.238 1.00 0.00 WT3 H ATOM 44973 H2 TIP3 7205 25.111 3.699 -5.992 1.00 0.00 WT3 H ATOM 44974 OH2 TIP3 7206 0.286 -0.620 -4.609 1.00 0.00 WT3 O ATOM 44975 H1 TIP3 7206 11.091 13.154 4.914 1.00 0.00 WT3 H ATOM 44976 H2 TIP3 7206 8.482 -20.840 -2.984 1.00 0.00 WT3 H ATOM 44977 OH2 TIP3 7208 3.898 -4.821 2.795 1.00 0.00 WT3 O ATOM 44978 H1 TIP3 7208 -3.472 -7.528 7.739 1.00 0.00 WT3 H ATOM 44979 H2 TIP3 7208 -0.882 -1.407 -2.078 1.00 0.00 WT3 H ATOM 44980 OH2 TIP3 7209 -0.776 2.513 1.893 1.00 0.00 WT3 O ATOM 44981 H1 TIP3 7209 -8.070 11.311 -3.088 1.00 0.00 WT3 H ATOM 44982 H2 TIP3 7209 2.779 -7.292 16.294 1.00 0.00 WT3 H ATOM 44983 OH2 TIP3 7210 1.171 -0.239 -2.108 1.00 0.00 WT3 O ATOM 44984 H1 TIP3 7210 -5.394 7.062 1.510 1.00 0.00 WT3 H ATOM 44985 H2 TIP3 7210 -2.538 9.172 -5.679 1.00 0.00 WT3 H ATOM 44986 OH2 TIP3 7211 2.308 -1.973 0.494 1.00 0.00 WT3 O ATOM 44987 H1 TIP3 7211 -5.284 -12.394 0.686 1.00 0.00 WT3 H ATOM 44988 H2 TIP3 7211 -5.145 4.955 -2.640 1.00 0.00 WT3 H ATOM 44989 OH2 TIP3 7213 1.019 -0.274 -3.328 1.00 0.00 WT3 O ATOM 44990 H1 TIP3 7213 5.816 -33.961 0.656 1.00 0.00 WT3 H ATOM 44991 H2 TIP3 7213 -0.177 12.049 0.545 1.00 0.00 WT3 H ATOM 44992 OH2 TIP3 7215 0.529 -7.805 3.963 1.00 0.00 WT3 O ATOM 44993 H1 TIP3 7215 -4.321 16.953 3.663 1.00 0.00 WT3 H ATOM 44994 H2 TIP3 7215 24.673 -16.424 10.535 1.00 0.00 WT3 H ATOM 44995 OH2 TIP3 7216 3.160 -4.897 -5.403 1.00 0.00 WT3 O ATOM 44996 H1 TIP3 7216 8.499 9.244 6.183 1.00 0.00 WT3 H ATOM 44997 H2 TIP3 7216 13.470 23.622 7.301 1.00 0.00 WT3 H ATOM 44998 OH2 TIP3 7217 -1.516 2.301 2.756 1.00 0.00 WT3 O ATOM 44999 H1 TIP3 7217 -9.372 -1.854 2.236 1.00 0.00 WT3 H ATOM 45000 H2 TIP3 7217 -8.360 16.861 -5.450 1.00 0.00 WT3 H ATOM 45001 OH2 TIP3 7219 1.865 2.679 0.145 1.00 0.00 WT3 O ATOM 45002 H1 TIP3 7219 19.827 18.173 29.091 1.00 0.00 WT3 H ATOM 45003 H2 TIP3 7219 1.804 -1.339 3.902 1.00 0.00 WT3 H ATOM 45004 OH2 TIP3 7222 -0.927 1.137 -4.716 1.00 0.00 WT3 O ATOM 45005 H1 TIP3 7222 9.409 1.247 9.354 1.00 0.00 WT3 H ATOM 45006 H2 TIP3 7222 11.573 8.376 -18.076 1.00 0.00 WT3 H ATOM 45007 OH2 TIP3 7223 -2.861 -0.510 1.380 1.00 0.00 WT3 O ATOM 45008 H1 TIP3 7223 9.687 0.237 9.457 1.00 0.00 WT3 H ATOM 45009 H2 TIP3 7223 5.351 5.355 16.275 1.00 0.00 WT3 H ATOM 45010 OH2 TIP3 7224 0.041 7.181 -3.386 1.00 0.00 WT3 O ATOM 45011 H1 TIP3 7224 26.792 5.733 11.009 1.00 0.00 WT3 H ATOM 45012 H2 TIP3 7224 5.715 14.095 -35.501 1.00 0.00 WT3 H ATOM 45013 OH2 TIP3 7227 4.427 6.559 -0.340 1.00 0.00 WT3 O ATOM 45014 H1 TIP3 7227 -9.622 -1.018 2.230 1.00 0.00 WT3 H ATOM 45015 H2 TIP3 7227 5.932 14.096 -1.981 1.00 0.00 WT3 H ATOM 45016 OH2 TIP3 7228 -1.968 -0.354 0.552 1.00 0.00 WT3 O ATOM 45017 H1 TIP3 7228 16.630 27.725 0.125 1.00 0.00 WT3 H ATOM 45018 H2 TIP3 7228 -35.879 12.352 -5.633 1.00 0.00 WT3 H ATOM 45019 OH2 TIP3 7229 0.055 2.972 3.396 1.00 0.00 WT3 O ATOM 45020 H1 TIP3 7229 -5.007 21.987 6.193 1.00 0.00 WT3 H ATOM 45021 H2 TIP3 7229 -4.465 11.226 6.746 1.00 0.00 WT3 H ATOM 45022 OH2 TIP3 7230 2.108 3.743 -0.417 1.00 0.00 WT3 O ATOM 45023 H1 TIP3 7230 20.756 -16.120 -10.386 1.00 0.00 WT3 H ATOM 45024 H2 TIP3 7230 5.453 -16.390 -5.050 1.00 0.00 WT3 H ATOM 45025 OH2 TIP3 7231 -0.450 4.703 -1.398 1.00 0.00 WT3 O ATOM 45026 H1 TIP3 7231 9.765 -1.745 11.734 1.00 0.00 WT3 H ATOM 45027 H2 TIP3 7231 -6.150 -16.866 0.332 1.00 0.00 WT3 H ATOM 45028 OH2 TIP3 7232 0.442 6.188 0.431 1.00 0.00 WT3 O ATOM 45029 H1 TIP3 7232 -11.722 12.697 14.360 1.00 0.00 WT3 H ATOM 45030 H2 TIP3 7232 -11.175 6.967 -16.829 1.00 0.00 WT3 H ATOM 45031 OH2 TIP3 7234 -0.952 -0.952 -1.532 1.00 0.00 WT3 O ATOM 45032 H1 TIP3 7234 33.560 -25.415 9.987 1.00 0.00 WT3 H ATOM 45033 H2 TIP3 7234 -4.366 23.344 -16.197 1.00 0.00 WT3 H ATOM 45034 OH2 TIP3 7235 1.882 -5.309 -3.742 1.00 0.00 WT3 O ATOM 45035 H1 TIP3 7235 0.160 -18.680 -2.940 1.00 0.00 WT3 H ATOM 45036 H2 TIP3 7235 -2.181 7.703 -2.205 1.00 0.00 WT3 H ATOM 45037 OH2 TIP3 7238 1.779 -6.559 -9.993 1.00 0.00 WT3 O ATOM 45038 H1 TIP3 7238 40.728 21.952 18.568 1.00 0.00 WT3 H ATOM 45039 H2 TIP3 7238 4.120 4.671 -4.170 1.00 0.00 WT3 H ATOM 45040 OH2 TIP3 7239 0.396 2.214 -5.902 1.00 0.00 WT3 O ATOM 45041 H1 TIP3 7239 14.645 -2.339 -13.600 1.00 0.00 WT3 H ATOM 45042 H2 TIP3 7239 -12.838 19.405 6.091 1.00 0.00 WT3 H ATOM 45043 OH2 TIP3 7240 -4.924 0.170 -0.243 1.00 0.00 WT3 O ATOM 45044 H1 TIP3 7240 -11.187 -0.394 -24.518 1.00 0.00 WT3 H ATOM 45045 H2 TIP3 7240 -2.202 22.515 15.528 1.00 0.00 WT3 H ATOM 45046 OH2 TIP3 7241 0.901 -4.117 -5.892 1.00 0.00 WT3 O ATOM 45047 H1 TIP3 7241 -0.293 -3.731 -5.911 1.00 0.00 WT3 H ATOM 45048 H2 TIP3 7241 -4.258 -6.905 -10.982 1.00 0.00 WT3 H ATOM 45049 OH2 TIP3 7243 -4.403 5.732 -1.648 1.00 0.00 WT3 O ATOM 45050 H1 TIP3 7243 -6.380 1.391 -3.838 1.00 0.00 WT3 H ATOM 45051 H2 TIP3 7243 3.016 10.094 13.602 1.00 0.00 WT3 H ATOM 45052 OH2 TIP3 7244 7.369 8.405 -3.270 1.00 0.00 WT3 O ATOM 45053 H1 TIP3 7244 1.768 18.350 -16.383 1.00 0.00 WT3 H ATOM 45054 H2 TIP3 7244 8.531 9.084 -4.506 1.00 0.00 WT3 H ATOM 45055 OH2 TIP3 7245 -2.837 -2.233 -1.078 1.00 0.00 WT3 O ATOM 45056 H1 TIP3 7245 -20.946 -23.583 10.791 1.00 0.00 WT3 H ATOM 45057 H2 TIP3 7245 -18.044 21.087 -0.552 1.00 0.00 WT3 H ATOM 45058 OH2 TIP3 7247 7.509 -0.007 3.722 1.00 0.00 WT3 O ATOM 45059 H1 TIP3 7247 9.390 -2.885 2.072 1.00 0.00 WT3 H ATOM 45060 H2 TIP3 7247 7.076 -0.997 8.348 1.00 0.00 WT3 H ATOM 45061 OH2 TIP3 7248 -0.735 5.529 1.133 1.00 0.00 WT3 O ATOM 45062 H1 TIP3 7248 9.273 1.050 -2.625 1.00 0.00 WT3 H ATOM 45063 H2 TIP3 7248 10.315 7.238 -12.119 1.00 0.00 WT3 H ATOM 45064 OH2 TIP3 7249 -4.787 -1.444 -4.634 1.00 0.00 WT3 O ATOM 45065 H1 TIP3 7249 18.429 12.224 -8.465 1.00 0.00 WT3 H ATOM 45066 H2 TIP3 7249 -0.282 -3.758 -2.982 1.00 0.00 WT3 H ATOM 45067 OH2 TIP3 7250 -1.626 -4.216 6.031 1.00 0.00 WT3 O ATOM 45068 H1 TIP3 7250 5.549 6.534 4.969 1.00 0.00 WT3 H ATOM 45069 H2 TIP3 7250 -10.368 6.786 -19.801 1.00 0.00 WT3 H ATOM 45070 OH2 TIP3 7252 -4.344 -1.794 10.005 1.00 0.00 WT3 O ATOM 45071 H1 TIP3 7252 -9.606 9.511 1.005 1.00 0.00 WT3 H ATOM 45072 H2 TIP3 7252 11.596 -1.616 -5.275 1.00 0.00 WT3 H ATOM 45073 OH2 TIP3 7253 7.693 -4.667 4.470 1.00 0.00 WT3 O ATOM 45074 H1 TIP3 7253 5.377 -16.934 2.501 1.00 0.00 WT3 H ATOM 45075 H2 TIP3 7253 8.401 -9.306 -10.441 1.00 0.00 WT3 H ATOM 45076 OH2 TIP3 7254 -0.552 0.059 0.897 1.00 0.00 WT3 O ATOM 45077 H1 TIP3 7254 12.678 9.884 4.298 1.00 0.00 WT3 H ATOM 45078 H2 TIP3 7254 -8.667 2.379 -1.763 1.00 0.00 WT3 H ATOM 45079 OH2 TIP3 7256 -0.504 -3.620 -1.485 1.00 0.00 WT3 O ATOM 45080 H1 TIP3 7256 -20.529 8.076 -11.455 1.00 0.00 WT3 H ATOM 45081 H2 TIP3 7256 -20.887 8.244 -16.984 1.00 0.00 WT3 H ATOM 45082 OH2 TIP3 7257 2.906 0.882 -3.775 1.00 0.00 WT3 O ATOM 45083 H1 TIP3 7257 2.258 9.937 6.851 1.00 0.00 WT3 H ATOM 45084 H2 TIP3 7257 2.008 25.244 24.257 1.00 0.00 WT3 H ATOM 45085 OH2 TIP3 7258 2.604 -5.739 3.024 1.00 0.00 WT3 O ATOM 45086 H1 TIP3 7258 -2.621 -3.985 2.441 1.00 0.00 WT3 H ATOM 45087 H2 TIP3 7258 -9.573 6.802 -20.225 1.00 0.00 WT3 H ATOM 45088 OH2 TIP3 7259 -6.600 -4.190 0.702 1.00 0.00 WT3 O ATOM 45089 H1 TIP3 7259 -8.891 -2.184 -5.779 1.00 0.00 WT3 H ATOM 45090 H2 TIP3 7259 9.754 -9.507 11.923 1.00 0.00 WT3 H ATOM 45091 OH2 TIP3 7260 4.264 3.687 0.816 1.00 0.00 WT3 O ATOM 45092 H1 TIP3 7260 2.731 3.145 -0.661 1.00 0.00 WT3 H ATOM 45093 H2 TIP3 7260 3.029 -7.594 -4.933 1.00 0.00 WT3 H ATOM 45094 OH2 TIP3 7262 4.428 3.274 -3.955 1.00 0.00 WT3 O ATOM 45095 H1 TIP3 7262 -0.669 13.848 1.313 1.00 0.00 WT3 H ATOM 45096 H2 TIP3 7262 -7.210 5.661 25.280 1.00 0.00 WT3 H ATOM 45097 OH2 TIP3 7264 -5.932 4.103 -2.670 1.00 0.00 WT3 O ATOM 45098 H1 TIP3 7264 -4.085 3.056 0.938 1.00 0.00 WT3 H ATOM 45099 H2 TIP3 7264 -19.528 -1.946 2.810 1.00 0.00 WT3 H ATOM 45100 OH2 TIP3 7266 3.738 0.480 -1.217 1.00 0.00 WT3 O ATOM 45101 H1 TIP3 7266 -2.839 -6.708 2.032 1.00 0.00 WT3 H ATOM 45102 H2 TIP3 7266 25.551 0.936 4.258 1.00 0.00 WT3 H ATOM 45103 OH2 TIP3 7267 1.625 -7.852 -3.068 1.00 0.00 WT3 O ATOM 45104 H1 TIP3 7267 -15.822 -5.257 -5.680 1.00 0.00 WT3 H ATOM 45105 H2 TIP3 7267 -7.616 -26.164 -3.447 1.00 0.00 WT3 H ATOM 45106 OH2 TIP3 7270 -2.350 8.497 -4.107 1.00 0.00 WT3 O ATOM 45107 H1 TIP3 7270 -7.816 -0.327 -8.841 1.00 0.00 WT3 H ATOM 45108 H2 TIP3 7270 -5.274 4.215 -6.578 1.00 0.00 WT3 H ATOM 45109 OH2 TIP3 7275 0.029 -1.764 -2.785 1.00 0.00 WT3 O ATOM 45110 H1 TIP3 7275 -11.336 29.356 13.478 1.00 0.00 WT3 H ATOM 45111 H2 TIP3 7275 24.653 -22.584 -7.290 1.00 0.00 WT3 H ATOM 45112 OH2 TIP3 7280 -4.851 -0.855 -2.213 1.00 0.00 WT3 O ATOM 45113 H1 TIP3 7280 -2.169 12.129 4.901 1.00 0.00 WT3 H ATOM 45114 H2 TIP3 7280 -21.511 -6.528 -14.913 1.00 0.00 WT3 H ATOM 45115 OH2 TIP3 7281 -1.005 -1.436 -6.888 1.00 0.00 WT3 O ATOM 45116 H1 TIP3 7281 -10.881 -14.393 -8.892 1.00 0.00 WT3 H ATOM 45117 H2 TIP3 7281 -2.357 -5.572 -4.819 1.00 0.00 WT3 H ATOM 45118 OH2 TIP3 7282 -3.672 -0.777 1.694 1.00 0.00 WT3 O ATOM 45119 H1 TIP3 7282 10.061 -14.322 -12.367 1.00 0.00 WT3 H ATOM 45120 H2 TIP3 7282 4.265 -5.781 7.446 1.00 0.00 WT3 H ATOM 45121 OH2 TIP3 7283 -7.082 -0.332 -0.237 1.00 0.00 WT3 O ATOM 45122 H1 TIP3 7283 -6.508 -0.970 -9.374 1.00 0.00 WT3 H ATOM 45123 H2 TIP3 7283 -17.080 9.276 -24.359 1.00 0.00 WT3 H ATOM 45124 OH2 TIP3 7284 -4.177 -0.357 -7.953 1.00 0.00 WT3 O ATOM 45125 H1 TIP3 7284 22.668 12.636 1.408 1.00 0.00 WT3 H ATOM 45126 H2 TIP3 7284 14.533 13.977 -3.807 1.00 0.00 WT3 H ATOM 45127 OH2 TIP3 7286 -0.228 -1.116 3.589 1.00 0.00 WT3 O ATOM 45128 H1 TIP3 7286 -1.302 -3.451 10.306 1.00 0.00 WT3 H ATOM 45129 H2 TIP3 7286 1.465 6.052 4.387 1.00 0.00 WT3 H ATOM 45130 OH2 TIP3 7295 -4.036 -7.158 3.549 1.00 0.00 WT3 O ATOM 45131 H1 TIP3 7295 5.062 13.588 14.002 1.00 0.00 WT3 H ATOM 45132 H2 TIP3 7295 3.412 -3.288 -1.286 1.00 0.00 WT3 H ATOM 45133 OH2 TIP3 7299 -6.079 2.779 2.990 1.00 0.00 WT3 O ATOM 45134 H1 TIP3 7299 -2.493 -10.271 -9.345 1.00 0.00 WT3 H ATOM 45135 H2 TIP3 7299 -18.608 -1.034 0.401 1.00 0.00 WT3 H ATOM 45136 OH2 TIP3 7301 -2.009 1.804 4.710 1.00 0.00 WT3 O ATOM 45137 H1 TIP3 7301 -5.860 -6.355 5.962 1.00 0.00 WT3 H ATOM 45138 H2 TIP3 7301 -7.230 6.765 2.796 1.00 0.00 WT3 H ATOM 45139 OH2 TIP3 7302 0.305 -0.320 6.497 1.00 0.00 WT3 O ATOM 45140 H1 TIP3 7302 17.409 6.709 -5.701 1.00 0.00 WT3 H ATOM 45141 H2 TIP3 7302 -15.180 15.007 3.580 1.00 0.00 WT3 H ATOM 45142 OH2 TIP3 7305 0.602 -2.326 2.589 1.00 0.00 WT3 O ATOM 45143 H1 TIP3 7305 5.653 7.942 14.865 1.00 0.00 WT3 H ATOM 45144 H2 TIP3 7305 0.463 -11.307 -24.501 1.00 0.00 WT3 H ATOM 45145 OH2 TIP3 7311 -0.218 3.391 3.032 1.00 0.00 WT3 O ATOM 45146 H1 TIP3 7311 -10.756 -0.601 -21.864 1.00 0.00 WT3 H ATOM 45147 H2 TIP3 7311 27.416 -15.613 11.214 1.00 0.00 WT3 H ATOM 45148 OH2 TIP3 7312 6.540 1.240 0.146 1.00 0.00 WT3 O ATOM 45149 H1 TIP3 7312 -4.518 15.907 -8.073 1.00 0.00 WT3 H ATOM 45150 H2 TIP3 7312 -3.627 -15.480 -3.566 1.00 0.00 WT3 H ATOM 45151 OH2 TIP3 7322 1.161 0.118 3.457 1.00 0.00 WT3 O ATOM 45152 H1 TIP3 7322 -4.509 27.298 -0.475 1.00 0.00 WT3 H ATOM 45153 H2 TIP3 7322 -4.978 11.090 3.847 1.00 0.00 WT3 H ATOM 45154 OH2 TIP3 7340 -3.148 6.849 0.881 1.00 0.00 WT3 O ATOM 45155 H1 TIP3 7340 -11.729 -4.733 -3.146 1.00 0.00 WT3 H ATOM 45156 H2 TIP3 7340 24.818 -10.476 5.645 1.00 0.00 WT3 H ATOM 45157 OH2 TIP3 7343 5.541 4.031 -0.729 1.00 0.00 WT3 O ATOM 45158 H1 TIP3 7343 26.550 15.127 -4.691 1.00 0.00 WT3 H ATOM 45159 H2 TIP3 7343 -12.279 3.756 -6.161 1.00 0.00 WT3 H ATOM 45160 OH2 TIP3 7366 -3.467 -2.288 3.855 1.00 0.00 WT3 O ATOM 45161 H1 TIP3 7366 2.556 -14.406 3.486 1.00 0.00 WT3 H ATOM 45162 H2 TIP3 7366 -12.210 -0.132 7.521 1.00 0.00 WT3 H ATOM 45163 OH2 TIP3 7408 -3.775 4.312 2.076 1.00 0.00 WT3 O ATOM 45164 H1 TIP3 7408 -39.874 26.495 -13.126 1.00 0.00 WT3 H ATOM 45165 H2 TIP3 7408 -4.314 3.471 11.585 1.00 0.00 WT3 H ATOM 45166 OH2 TIP3 7412 -1.392 -1.837 -3.336 1.00 0.00 WT3 O ATOM 45167 H1 TIP3 7412 -0.890 -1.327 -2.723 1.00 0.00 WT3 H ATOM 45168 H2 TIP3 7412 -7.166 -6.227 -14.073 1.00 0.00 WT3 H ATOM 45169 OH2 TIP3 7415 3.056 0.014 -6.593 1.00 0.00 WT3 O ATOM 45170 H1 TIP3 7415 6.941 0.405 0.462 1.00 0.00 WT3 H ATOM 45171 H2 TIP3 7415 7.733 2.659 3.772 1.00 0.00 WT3 H ATOM 45172 OH2 TIP3 7418 2.741 -6.440 2.485 1.00 0.00 WT3 O ATOM 45173 H1 TIP3 7418 -17.055 2.723 0.938 1.00 0.00 WT3 H ATOM 45174 H2 TIP3 7418 9.542 -7.317 -6.774 1.00 0.00 WT3 H ATOM 45175 OH2 TIP3 7431 -2.892 -4.194 2.478 1.00 0.00 WT3 O ATOM 45176 H1 TIP3 7431 -20.770 -26.582 -7.252 1.00 0.00 WT3 H ATOM 45177 H2 TIP3 7431 -32.487 0.175 -9.547 1.00 0.00 WT3 H ATOM 45178 OH2 TIP3 7435 2.802 -3.748 -3.120 1.00 0.00 WT3 O ATOM 45179 H1 TIP3 7435 -4.769 -14.726 -3.486 1.00 0.00 WT3 H ATOM 45180 H2 TIP3 7435 8.885 25.408 -5.530 1.00 0.00 WT3 H ATOM 45181 OH2 TIP3 7436 0.305 1.796 -7.075 1.00 0.00 WT3 O ATOM 45182 H1 TIP3 7436 -0.582 7.271 -17.551 1.00 0.00 WT3 H ATOM 45183 H2 TIP3 7436 10.335 17.291 4.527 1.00 0.00 WT3 H ATOM 45184 OH2 TIP3 7437 -6.901 1.232 -4.022 1.00 0.00 WT3 O ATOM 45185 H1 TIP3 7437 0.146 7.385 -20.856 1.00 0.00 WT3 H ATOM 45186 H2 TIP3 7437 3.887 10.184 9.533 1.00 0.00 WT3 H ATOM 45187 OH2 TIP3 7439 1.005 -3.500 4.932 1.00 0.00 WT3 O ATOM 45188 H1 TIP3 7439 4.079 4.609 4.499 1.00 0.00 WT3 H ATOM 45189 H2 TIP3 7439 -5.688 0.877 10.373 1.00 0.00 WT3 H ATOM 45190 OH2 TIP3 7451 -4.447 3.256 -3.857 1.00 0.00 WT3 O ATOM 45191 H1 TIP3 7451 11.094 8.697 7.764 1.00 0.00 WT3 H ATOM 45192 H2 TIP3 7451 12.260 -12.547 7.977 1.00 0.00 WT3 H ATOM 45193 OH2 TIP3 7456 2.967 2.882 -1.718 1.00 0.00 WT3 O ATOM 45194 H1 TIP3 7456 3.943 -2.691 -8.073 1.00 0.00 WT3 H ATOM 45195 H2 TIP3 7456 17.606 12.393 -10.363 1.00 0.00 WT3 H ATOM 45196 OH2 TIP3 7461 1.622 2.780 0.036 1.00 0.00 WT3 O ATOM 45197 H1 TIP3 7461 5.457 6.478 4.517 1.00 0.00 WT3 H ATOM 45198 H2 TIP3 7461 5.553 -0.961 -7.115 1.00 0.00 WT3 H ATOM 45199 OH2 TIP3 7467 1.294 -4.500 -7.945 1.00 0.00 WT3 O ATOM 45200 H1 TIP3 7467 4.577 -0.661 -12.334 1.00 0.00 WT3 H ATOM 45201 H2 TIP3 7467 5.958 1.352 -14.569 1.00 0.00 WT3 H ATOM 45202 OH2 TIP3 7471 -1.285 8.426 2.139 1.00 0.00 WT3 O ATOM 45203 H1 TIP3 7471 0.937 -20.894 -6.300 1.00 0.00 WT3 H ATOM 45204 H2 TIP3 7471 3.993 18.835 -4.157 1.00 0.00 WT3 H ATOM 45205 OH2 TIP3 7472 4.087 0.850 5.398 1.00 0.00 WT3 O ATOM 45206 H1 TIP3 7472 4.382 16.112 5.520 1.00 0.00 WT3 H ATOM 45207 H2 TIP3 7472 3.327 5.057 19.481 1.00 0.00 WT3 H ATOM 45208 OH2 TIP3 7473 3.617 1.063 -6.624 1.00 0.00 WT3 O ATOM 45209 H1 TIP3 7473 -1.600 9.336 3.053 1.00 0.00 WT3 H ATOM 45210 H2 TIP3 7473 3.369 -14.503 -0.696 1.00 0.00 WT3 H ATOM 45211 OH2 TIP3 7474 2.143 4.728 5.005 1.00 0.00 WT3 O ATOM 45212 H1 TIP3 7474 -2.206 0.372 3.118 1.00 0.00 WT3 H ATOM 45213 H2 TIP3 7474 25.505 -1.331 17.170 1.00 0.00 WT3 H ATOM 45214 OH2 TIP3 7476 2.450 2.835 -4.157 1.00 0.00 WT3 O ATOM 45215 H1 TIP3 7476 11.172 0.800 1.408 1.00 0.00 WT3 H ATOM 45216 H2 TIP3 7476 -11.460 -8.290 -10.501 1.00 0.00 WT3 H ATOM 45217 OH2 TIP3 7479 3.233 9.085 -5.064 1.00 0.00 WT3 O ATOM 45218 H1 TIP3 7479 15.355 3.847 6.488 1.00 0.00 WT3 H ATOM 45219 H2 TIP3 7479 -6.971 -2.300 -9.259 1.00 0.00 WT3 H ATOM 45220 OH2 TIP3 7480 -0.517 -0.721 -1.046 1.00 0.00 WT3 O ATOM 45221 H1 TIP3 7480 -6.645 2.733 -4.642 1.00 0.00 WT3 H ATOM 45222 H2 TIP3 7480 -3.062 -10.594 6.878 1.00 0.00 WT3 H ATOM 45223 OH2 TIP3 7483 0.788 2.162 -2.874 1.00 0.00 WT3 O ATOM 45224 H1 TIP3 7483 0.924 3.006 -4.949 1.00 0.00 WT3 H ATOM 45225 H2 TIP3 7483 -0.888 11.305 -32.018 1.00 0.00 WT3 H ATOM 45226 OH2 TIP3 7486 1.062 -3.150 8.021 1.00 0.00 WT3 O ATOM 45227 H1 TIP3 7486 -7.149 -21.473 -16.257 1.00 0.00 WT3 H ATOM 45228 H2 TIP3 7486 -4.841 9.047 10.194 1.00 0.00 WT3 H ATOM 45229 OH2 TIP3 7490 3.708 2.326 5.236 1.00 0.00 WT3 O ATOM 45230 H1 TIP3 7490 -18.645 0.114 -3.393 1.00 0.00 WT3 H ATOM 45231 H2 TIP3 7490 -20.177 -26.027 -0.811 1.00 0.00 WT3 H ATOM 45232 OH2 TIP3 7492 5.136 1.147 -4.607 1.00 0.00 WT3 O ATOM 45233 H1 TIP3 7492 10.886 15.351 -12.412 1.00 0.00 WT3 H ATOM 45234 H2 TIP3 7492 17.149 2.956 8.704 1.00 0.00 WT3 H ATOM 45235 OH2 TIP3 7493 -0.164 2.462 -4.195 1.00 0.00 WT3 O ATOM 45236 H1 TIP3 7493 -0.002 -17.911 4.579 1.00 0.00 WT3 H ATOM 45237 H2 TIP3 7493 -5.259 -5.259 10.415 1.00 0.00 WT3 H ATOM 45238 OH2 TIP3 7494 2.554 -3.127 0.282 1.00 0.00 WT3 O ATOM 45239 H1 TIP3 7494 -0.159 7.620 9.702 1.00 0.00 WT3 H ATOM 45240 H2 TIP3 7494 -10.536 -21.718 -3.743 1.00 0.00 WT3 H ATOM 45241 OH2 TIP3 7495 -4.120 -3.663 4.018 1.00 0.00 WT3 O ATOM 45242 H1 TIP3 7495 7.834 9.594 15.689 1.00 0.00 WT3 H ATOM 45243 H2 TIP3 7495 -8.313 -4.041 -15.246 1.00 0.00 WT3 H ATOM 45244 OH2 TIP3 7497 -10.963 -8.534 -2.527 1.00 0.00 WT3 O ATOM 45245 H1 TIP3 7497 -12.573 -0.030 3.148 1.00 0.00 WT3 H ATOM 45246 H2 TIP3 7497 -0.176 -12.136 -2.041 1.00 0.00 WT3 H ATOM 45247 OH2 TIP3 7498 4.651 3.123 -8.984 1.00 0.00 WT3 O ATOM 45248 H1 TIP3 7498 7.081 1.347 -0.747 1.00 0.00 WT3 H ATOM 45249 H2 TIP3 7498 -8.666 1.004 -9.694 1.00 0.00 WT3 H ATOM 45250 OH2 TIP3 7500 2.306 -5.698 -4.698 1.00 0.00 WT3 O ATOM 45251 H1 TIP3 7500 -1.491 -0.684 -16.873 1.00 0.00 WT3 H ATOM 45252 H2 TIP3 7500 -4.622 4.089 -1.500 1.00 0.00 WT3 H ATOM 45253 OH2 TIP3 7501 -5.027 2.877 -0.311 1.00 0.00 WT3 O ATOM 45254 H1 TIP3 7501 -1.141 -28.415 -4.648 1.00 0.00 WT3 H ATOM 45255 H2 TIP3 7501 3.265 2.475 1.415 1.00 0.00 WT3 H ATOM 45256 OH2 TIP3 7503 3.864 -7.600 -0.702 1.00 0.00 WT3 O ATOM 45257 H1 TIP3 7503 -12.625 -4.179 12.617 1.00 0.00 WT3 H ATOM 45258 H2 TIP3 7503 2.209 5.726 -2.752 1.00 0.00 WT3 H ATOM 45259 OH2 TIP3 7504 -7.322 0.153 -1.070 1.00 0.00 WT3 O ATOM 45260 H1 TIP3 7504 -8.161 -2.257 -1.968 1.00 0.00 WT3 H ATOM 45261 H2 TIP3 7504 -4.083 16.291 13.428 1.00 0.00 WT3 H ATOM 45262 OH2 TIP3 7505 -0.702 -6.568 -4.482 1.00 0.00 WT3 O ATOM 45263 H1 TIP3 7505 22.584 1.783 5.740 1.00 0.00 WT3 H ATOM 45264 H2 TIP3 7505 13.059 3.158 -2.117 1.00 0.00 WT3 H ATOM 45265 OH2 TIP3 7507 3.823 -0.422 -3.089 1.00 0.00 WT3 O ATOM 45266 H1 TIP3 7507 2.977 5.537 13.210 1.00 0.00 WT3 H ATOM 45267 H2 TIP3 7507 -4.329 -4.565 -10.859 1.00 0.00 WT3 H ATOM 45268 OH2 TIP3 7508 4.653 -7.588 -0.839 1.00 0.00 WT3 O ATOM 45269 H1 TIP3 7508 9.809 -9.776 3.998 1.00 0.00 WT3 H ATOM 45270 H2 TIP3 7508 22.053 35.476 -3.693 1.00 0.00 WT3 H ATOM 45271 OH2 TIP3 7509 1.969 -7.198 -0.758 1.00 0.00 WT3 O ATOM 45272 H1 TIP3 7509 -28.324 -10.275 14.272 1.00 0.00 WT3 H ATOM 45273 H2 TIP3 7509 -18.684 -5.525 -12.290 1.00 0.00 WT3 H ATOM 45274 OH2 TIP3 7510 4.478 8.332 4.887 1.00 0.00 WT3 O ATOM 45275 H1 TIP3 7510 -3.550 12.882 -3.850 1.00 0.00 WT3 H ATOM 45276 H2 TIP3 7510 -4.214 5.320 5.751 1.00 0.00 WT3 H ATOM 45277 OH2 TIP3 7511 -1.017 6.699 -3.114 1.00 0.00 WT3 O ATOM 45278 H1 TIP3 7511 -12.375 -2.403 -19.362 1.00 0.00 WT3 H ATOM 45279 H2 TIP3 7511 17.670 -7.973 15.000 1.00 0.00 WT3 H ATOM 45280 OH2 TIP3 7513 8.308 -2.949 -5.944 1.00 0.00 WT3 O ATOM 45281 H1 TIP3 7513 8.896 -11.539 25.854 1.00 0.00 WT3 H ATOM 45282 H2 TIP3 7513 7.472 -7.924 10.492 1.00 0.00 WT3 H ATOM 45283 OH2 TIP3 7516 1.924 2.539 0.171 1.00 0.00 WT3 O ATOM 45284 H1 TIP3 7516 0.294 -3.119 14.518 1.00 0.00 WT3 H ATOM 45285 H2 TIP3 7516 9.201 -15.265 -10.738 1.00 0.00 WT3 H ATOM 45286 OH2 TIP3 7519 -0.125 -2.017 -4.661 1.00 0.00 WT3 O ATOM 45287 H1 TIP3 7519 -15.593 -8.364 10.906 1.00 0.00 WT3 H ATOM 45288 H2 TIP3 7519 10.643 0.226 -27.074 1.00 0.00 WT3 H ATOM 45289 OH2 TIP3 7520 -0.320 -4.705 1.089 1.00 0.00 WT3 O ATOM 45290 H1 TIP3 7520 -18.753 -16.642 -11.528 1.00 0.00 WT3 H ATOM 45291 H2 TIP3 7520 18.088 0.693 -14.306 1.00 0.00 WT3 H ATOM 45292 OH2 TIP3 7522 0.107 2.449 -6.578 1.00 0.00 WT3 O ATOM 45293 H1 TIP3 7522 2.127 -17.460 17.180 1.00 0.00 WT3 H ATOM 45294 H2 TIP3 7522 7.807 -5.869 -2.149 1.00 0.00 WT3 H ATOM 45295 OH2 TIP3 7523 -3.908 -5.616 2.614 1.00 0.00 WT3 O ATOM 45296 H1 TIP3 7523 -0.882 -15.041 -30.640 1.00 0.00 WT3 H ATOM 45297 H2 TIP3 7523 -25.893 -1.851 -25.956 1.00 0.00 WT3 H ATOM 45298 OH2 TIP3 7524 -2.633 2.325 0.342 1.00 0.00 WT3 O ATOM 45299 H1 TIP3 7524 -10.875 -2.333 3.279 1.00 0.00 WT3 H ATOM 45300 H2 TIP3 7524 3.997 -18.191 1.678 1.00 0.00 WT3 H ATOM 45301 OH2 TIP3 7525 7.124 0.185 3.102 1.00 0.00 WT3 O ATOM 45302 H1 TIP3 7525 0.073 -3.879 -6.180 1.00 0.00 WT3 H ATOM 45303 H2 TIP3 7525 21.296 -3.316 -14.922 1.00 0.00 WT3 H ATOM 45304 OH2 TIP3 7526 -4.425 1.738 -9.322 1.00 0.00 WT3 O ATOM 45305 H1 TIP3 7526 2.026 -13.457 -10.471 1.00 0.00 WT3 H ATOM 45306 H2 TIP3 7526 -4.589 6.664 -7.512 1.00 0.00 WT3 H ATOM 45307 OH2 TIP3 7527 -6.764 2.146 0.870 1.00 0.00 WT3 O ATOM 45308 H1 TIP3 7527 -1.739 -10.222 4.576 1.00 0.00 WT3 H ATOM 45309 H2 TIP3 7527 -7.721 5.631 0.225 1.00 0.00 WT3 H ATOM 45310 OH2 TIP3 7528 -4.331 -0.138 0.128 1.00 0.00 WT3 O ATOM 45311 H1 TIP3 7528 4.045 -6.445 6.508 1.00 0.00 WT3 H ATOM 45312 H2 TIP3 7528 19.707 -22.984 19.442 1.00 0.00 WT3 H ATOM 45313 OH2 TIP3 7529 1.188 3.613 2.628 1.00 0.00 WT3 O ATOM 45314 H1 TIP3 7529 14.294 24.445 -8.829 1.00 0.00 WT3 H ATOM 45315 H2 TIP3 7529 4.541 -12.648 -7.466 1.00 0.00 WT3 H ATOM 45316 OH2 TIP3 7530 -3.016 2.299 1.838 1.00 0.00 WT3 O ATOM 45317 H1 TIP3 7530 12.186 -6.958 -3.999 1.00 0.00 WT3 H ATOM 45318 H2 TIP3 7530 -5.866 -18.716 12.039 1.00 0.00 WT3 H ATOM 45319 OH2 TIP3 7531 -3.528 7.680 -2.223 1.00 0.00 WT3 O ATOM 45320 H1 TIP3 7531 -20.054 6.223 -0.256 1.00 0.00 WT3 H ATOM 45321 H2 TIP3 7531 -14.647 4.709 -1.665 1.00 0.00 WT3 H ATOM 45322 OH2 TIP3 7532 -0.318 -1.828 0.832 1.00 0.00 WT3 O ATOM 45323 H1 TIP3 7532 -0.503 1.691 8.182 1.00 0.00 WT3 H ATOM 45324 H2 TIP3 7532 5.273 3.765 5.628 1.00 0.00 WT3 H ATOM 45325 OH2 TIP3 7537 -2.858 4.313 -2.163 1.00 0.00 WT3 O ATOM 45326 H1 TIP3 7537 1.349 21.089 2.450 1.00 0.00 WT3 H ATOM 45327 H2 TIP3 7537 -1.643 -6.424 -3.185 1.00 0.00 WT3 H ATOM 45328 OH2 TIP3 7538 4.968 -2.265 0.501 1.00 0.00 WT3 O ATOM 45329 H1 TIP3 7538 4.071 7.619 -9.838 1.00 0.00 WT3 H ATOM 45330 H2 TIP3 7538 7.244 -11.158 8.944 1.00 0.00 WT3 H ATOM 45331 OH2 TIP3 7539 -2.687 0.633 3.993 1.00 0.00 WT3 O ATOM 45332 H1 TIP3 7539 6.124 -5.011 0.908 1.00 0.00 WT3 H ATOM 45333 H2 TIP3 7539 7.610 -3.041 5.731 1.00 0.00 WT3 H ATOM 45334 OH2 TIP3 7540 0.059 -1.559 1.676 1.00 0.00 WT3 O ATOM 45335 H1 TIP3 7540 -3.557 22.519 13.116 1.00 0.00 WT3 H ATOM 45336 H2 TIP3 7540 -19.915 -5.971 -12.956 1.00 0.00 WT3 H ATOM 45337 OH2 TIP3 7541 -4.014 -0.941 -2.005 1.00 0.00 WT3 O ATOM 45338 H1 TIP3 7541 11.204 8.708 23.404 1.00 0.00 WT3 H ATOM 45339 H2 TIP3 7541 -19.376 -4.926 10.624 1.00 0.00 WT3 H ATOM 45340 OH2 TIP3 7542 3.674 6.061 -1.202 1.00 0.00 WT3 O ATOM 45341 H1 TIP3 7542 21.412 -12.883 -0.877 1.00 0.00 WT3 H ATOM 45342 H2 TIP3 7542 -0.862 -9.246 -26.345 1.00 0.00 WT3 H ATOM 45343 OH2 TIP3 7544 9.490 8.442 -1.908 1.00 0.00 WT3 O ATOM 45344 H1 TIP3 7544 -12.493 -14.269 14.711 1.00 0.00 WT3 H ATOM 45345 H2 TIP3 7544 0.355 8.002 -9.637 1.00 0.00 WT3 H ATOM 45346 OH2 TIP3 7545 -2.534 -2.481 -5.078 1.00 0.00 WT3 O ATOM 45347 H1 TIP3 7545 -0.936 -7.986 -2.967 1.00 0.00 WT3 H ATOM 45348 H2 TIP3 7545 -4.535 0.628 -8.839 1.00 0.00 WT3 H ATOM 45349 OH2 TIP3 7547 1.218 3.848 0.031 1.00 0.00 WT3 O ATOM 45350 H1 TIP3 7547 3.548 13.970 9.735 1.00 0.00 WT3 H ATOM 45351 H2 TIP3 7547 -1.781 -14.193 -9.728 1.00 0.00 WT3 H ATOM 45352 OH2 TIP3 7550 -1.938 -3.405 0.808 1.00 0.00 WT3 O ATOM 45353 H1 TIP3 7550 -5.180 -29.652 -3.775 1.00 0.00 WT3 H ATOM 45354 H2 TIP3 7550 -12.199 16.354 -1.137 1.00 0.00 WT3 H ATOM 45355 OH2 TIP3 7551 -1.160 2.706 -2.340 1.00 0.00 WT3 O ATOM 45356 H1 TIP3 7551 -7.987 2.391 -8.506 1.00 0.00 WT3 H ATOM 45357 H2 TIP3 7551 7.968 7.784 -13.751 1.00 0.00 WT3 H ATOM 45358 OH2 TIP3 7552 1.252 -0.994 4.334 1.00 0.00 WT3 O ATOM 45359 H1 TIP3 7552 -5.224 9.187 -6.056 1.00 0.00 WT3 H ATOM 45360 H2 TIP3 7552 9.346 3.198 -4.066 1.00 0.00 WT3 H ATOM 45361 OH2 TIP3 7553 2.278 -2.361 1.979 1.00 0.00 WT3 O ATOM 45362 H1 TIP3 7553 3.532 10.332 5.125 1.00 0.00 WT3 H ATOM 45363 H2 TIP3 7553 5.450 4.712 -0.116 1.00 0.00 WT3 H ATOM 45364 OH2 TIP3 7554 2.457 1.518 -1.405 1.00 0.00 WT3 O ATOM 45365 H1 TIP3 7554 17.308 -10.685 -5.844 1.00 0.00 WT3 H ATOM 45366 H2 TIP3 7554 11.611 16.978 4.895 1.00 0.00 WT3 H ATOM 45367 OH2 TIP3 7555 -2.714 10.036 -4.045 1.00 0.00 WT3 O ATOM 45368 H1 TIP3 7555 -2.610 13.728 -39.825 1.00 0.00 WT3 H ATOM 45369 H2 TIP3 7555 -15.798 9.948 -16.335 1.00 0.00 WT3 H ATOM 45370 OH2 TIP3 7556 -1.280 3.251 3.532 1.00 0.00 WT3 O ATOM 45371 H1 TIP3 7556 5.147 -4.184 1.560 1.00 0.00 WT3 H ATOM 45372 H2 TIP3 7556 6.030 -16.217 -9.756 1.00 0.00 WT3 H ATOM 45373 OH2 TIP3 7557 -2.574 2.064 3.247 1.00 0.00 WT3 O ATOM 45374 H1 TIP3 7557 7.673 10.111 0.512 1.00 0.00 WT3 H ATOM 45375 H2 TIP3 7557 -14.898 -7.475 2.648 1.00 0.00 WT3 H ATOM 45376 OH2 TIP3 7558 0.579 -2.776 5.172 1.00 0.00 WT3 O ATOM 45377 H1 TIP3 7558 -7.631 -16.997 0.124 1.00 0.00 WT3 H ATOM 45378 H2 TIP3 7558 -1.168 4.568 0.696 1.00 0.00 WT3 H ATOM 45379 OH2 TIP3 7559 4.340 1.264 6.541 1.00 0.00 WT3 O ATOM 45380 H1 TIP3 7559 5.769 7.980 1.053 1.00 0.00 WT3 H ATOM 45381 H2 TIP3 7559 5.572 6.475 2.280 1.00 0.00 WT3 H ATOM 45382 OH2 TIP3 7560 0.526 -0.307 -5.331 1.00 0.00 WT3 O ATOM 45383 H1 TIP3 7560 8.213 6.387 4.640 1.00 0.00 WT3 H ATOM 45384 H2 TIP3 7560 -14.726 9.806 18.179 1.00 0.00 WT3 H ATOM 45385 OH2 TIP3 7561 -2.987 -1.041 3.953 1.00 0.00 WT3 O ATOM 45386 H1 TIP3 7561 8.886 -1.621 5.509 1.00 0.00 WT3 H ATOM 45387 H2 TIP3 7561 -12.527 10.346 1.100 1.00 0.00 WT3 H ATOM 45388 OH2 TIP3 7562 0.120 0.771 2.466 1.00 0.00 WT3 O ATOM 45389 H1 TIP3 7562 0.647 1.055 2.490 1.00 0.00 WT3 H ATOM 45390 H2 TIP3 7562 -11.443 -5.183 -11.631 1.00 0.00 WT3 H ATOM 45391 OH2 TIP3 7563 3.428 -4.308 1.578 1.00 0.00 WT3 O ATOM 45392 H1 TIP3 7563 2.392 -2.204 5.373 1.00 0.00 WT3 H ATOM 45393 H2 TIP3 7563 8.327 -4.659 1.045 1.00 0.00 WT3 H ATOM 45394 OH2 TIP3 7564 -0.576 5.794 2.621 1.00 0.00 WT3 O ATOM 45395 H1 TIP3 7564 -1.772 6.110 3.852 1.00 0.00 WT3 H ATOM 45396 H2 TIP3 7564 -13.424 -3.722 11.796 1.00 0.00 WT3 H ATOM 45397 OH2 TIP3 7567 1.282 0.319 2.092 1.00 0.00 WT3 O ATOM 45398 H1 TIP3 7567 15.736 -6.746 -13.760 1.00 0.00 WT3 H ATOM 45399 H2 TIP3 7567 -12.444 -12.814 -18.858 1.00 0.00 WT3 H ATOM 45400 OH2 TIP3 7568 4.003 5.881 -4.889 1.00 0.00 WT3 O ATOM 45401 H1 TIP3 7568 -2.477 -13.923 -4.620 1.00 0.00 WT3 H ATOM 45402 H2 TIP3 7568 -11.938 -4.133 22.750 1.00 0.00 WT3 H ATOM 45403 OH2 TIP3 7570 -2.724 -4.207 1.566 1.00 0.00 WT3 O ATOM 45404 H1 TIP3 7570 7.237 -25.336 22.653 1.00 0.00 WT3 H ATOM 45405 H2 TIP3 7570 -6.098 -5.124 -0.939 1.00 0.00 WT3 H ATOM 45406 OH2 TIP3 7571 4.871 3.754 -10.257 1.00 0.00 WT3 O ATOM 45407 H1 TIP3 7571 -2.336 -1.513 3.903 1.00 0.00 WT3 H ATOM 45408 H2 TIP3 7571 9.194 17.777 -4.309 1.00 0.00 WT3 H ATOM 45409 OH2 TIP3 7572 -1.234 3.861 -6.965 1.00 0.00 WT3 O ATOM 45410 H1 TIP3 7572 -1.106 -0.472 -12.600 1.00 0.00 WT3 H ATOM 45411 H2 TIP3 7572 -9.392 -5.536 -15.679 1.00 0.00 WT3 H ATOM 45412 OH2 TIP3 7574 -1.411 -0.549 2.752 1.00 0.00 WT3 O ATOM 45413 H1 TIP3 7574 3.060 10.037 3.043 1.00 0.00 WT3 H ATOM 45414 H2 TIP3 7574 -10.927 0.654 -7.559 1.00 0.00 WT3 H ATOM 45415 OH2 TIP3 7575 -3.851 -3.190 -0.425 1.00 0.00 WT3 O ATOM 45416 H1 TIP3 7575 5.191 6.648 9.766 1.00 0.00 WT3 H ATOM 45417 H2 TIP3 7575 -16.333 -11.758 4.797 1.00 0.00 WT3 H ATOM 45418 OH2 TIP3 7576 1.313 -0.206 1.092 1.00 0.00 WT3 O ATOM 45419 H1 TIP3 7576 3.330 1.330 0.787 1.00 0.00 WT3 H ATOM 45420 H2 TIP3 7576 -2.154 -9.524 -0.529 1.00 0.00 WT3 H ATOM 45421 OH2 TIP3 7578 -3.750 -2.576 -2.053 1.00 0.00 WT3 O ATOM 45422 H1 TIP3 7578 -7.855 2.136 8.161 1.00 0.00 WT3 H ATOM 45423 H2 TIP3 7578 -6.928 -0.747 -7.117 1.00 0.00 WT3 H ATOM 45424 OH2 TIP3 7579 -1.741 -4.841 3.990 1.00 0.00 WT3 O ATOM 45425 H1 TIP3 7579 5.320 -4.919 -14.338 1.00 0.00 WT3 H ATOM 45426 H2 TIP3 7579 -20.401 -4.526 -1.029 1.00 0.00 WT3 H ATOM 45427 OH2 TIP3 7580 -4.427 -1.660 0.180 1.00 0.00 WT3 O ATOM 45428 H1 TIP3 7580 -25.580 -8.442 15.320 1.00 0.00 WT3 H ATOM 45429 H2 TIP3 7580 -15.375 23.498 -15.923 1.00 0.00 WT3 H ATOM 45430 OH2 TIP3 7581 0.023 -1.531 2.478 1.00 0.00 WT3 O ATOM 45431 H1 TIP3 7581 5.875 3.992 3.422 1.00 0.00 WT3 H ATOM 45432 H2 TIP3 7581 8.330 6.789 6.237 1.00 0.00 WT3 H ATOM 45433 OH2 TIP3 7582 0.182 2.482 -2.001 1.00 0.00 WT3 O ATOM 45434 H1 TIP3 7582 6.454 7.155 -26.611 1.00 0.00 WT3 H ATOM 45435 H2 TIP3 7582 -6.358 -4.435 -6.433 1.00 0.00 WT3 H ATOM 45436 OH2 TIP3 7584 -2.458 -1.588 -1.057 1.00 0.00 WT3 O ATOM 45437 H1 TIP3 7584 1.085 -7.483 -3.087 1.00 0.00 WT3 H ATOM 45438 H2 TIP3 7584 -0.864 1.308 -8.789 1.00 0.00 WT3 H ATOM 45439 OH2 TIP3 7585 2.999 -5.281 2.401 1.00 0.00 WT3 O ATOM 45440 H1 TIP3 7585 0.059 -5.713 -0.813 1.00 0.00 WT3 H ATOM 45441 H2 TIP3 7585 -4.130 -1.346 18.833 1.00 0.00 WT3 H ATOM 45442 OH2 TIP3 7586 3.828 -7.169 -3.989 1.00 0.00 WT3 O ATOM 45443 H1 TIP3 7586 -3.530 -28.596 -16.426 1.00 0.00 WT3 H ATOM 45444 H2 TIP3 7586 12.765 0.617 -5.885 1.00 0.00 WT3 H ATOM 45445 OH2 TIP3 7587 -2.323 0.740 5.843 1.00 0.00 WT3 O ATOM 45446 H1 TIP3 7587 -4.950 9.303 15.481 1.00 0.00 WT3 H ATOM 45447 H2 TIP3 7587 26.395 7.199 12.474 1.00 0.00 WT3 H ATOM 45448 OH2 TIP3 7588 -10.858 1.977 3.621 1.00 0.00 WT3 O ATOM 45449 H1 TIP3 7588 -0.694 -20.199 -12.796 1.00 0.00 WT3 H ATOM 45450 H2 TIP3 7588 -0.957 11.269 7.715 1.00 0.00 WT3 H ATOM 45451 OH2 TIP3 7589 -1.841 0.181 1.687 1.00 0.00 WT3 O ATOM 45452 H1 TIP3 7589 -3.345 13.608 -18.325 1.00 0.00 WT3 H ATOM 45453 H2 TIP3 7589 -6.093 -4.119 -8.124 1.00 0.00 WT3 H ATOM 45454 OH2 TIP3 7590 4.994 -0.573 -3.866 1.00 0.00 WT3 O ATOM 45455 H1 TIP3 7590 4.936 -14.851 8.564 1.00 0.00 WT3 H ATOM 45456 H2 TIP3 7590 14.121 -10.085 -20.562 1.00 0.00 WT3 H ATOM 45457 OH2 TIP3 7591 -9.501 -6.316 -1.778 1.00 0.00 WT3 O ATOM 45458 H1 TIP3 7591 4.796 18.171 -12.042 1.00 0.00 WT3 H ATOM 45459 H2 TIP3 7591 2.554 18.274 -12.333 1.00 0.00 WT3 H ATOM 45460 OH2 TIP3 7592 1.049 -4.420 10.380 1.00 0.00 WT3 O ATOM 45461 H1 TIP3 7592 9.102 -5.916 4.273 1.00 0.00 WT3 H ATOM 45462 H2 TIP3 7592 1.860 -19.500 3.628 1.00 0.00 WT3 H ATOM 45463 OH2 TIP3 7593 -4.729 -4.968 0.062 1.00 0.00 WT3 O ATOM 45464 H1 TIP3 7593 6.350 -8.485 -2.740 1.00 0.00 WT3 H ATOM 45465 H2 TIP3 7593 -1.336 -17.018 -0.523 1.00 0.00 WT3 H ATOM 45466 OH2 TIP3 7594 4.238 -6.206 7.699 1.00 0.00 WT3 O ATOM 45467 H1 TIP3 7594 13.878 9.555 24.200 1.00 0.00 WT3 H ATOM 45468 H2 TIP3 7594 -8.148 7.672 -5.662 1.00 0.00 WT3 H ATOM 45469 OH2 TIP3 7595 -3.400 -1.514 1.487 1.00 0.00 WT3 O ATOM 45470 H1 TIP3 7595 6.221 -7.540 6.794 1.00 0.00 WT3 H ATOM 45471 H2 TIP3 7595 1.721 3.652 -7.827 1.00 0.00 WT3 H ATOM 45472 OH2 TIP3 7596 -3.018 -2.668 2.474 1.00 0.00 WT3 O ATOM 45473 H1 TIP3 7596 1.947 -1.541 -6.776 1.00 0.00 WT3 H ATOM 45474 H2 TIP3 7596 -20.727 3.124 7.192 1.00 0.00 WT3 H ATOM 45475 OH2 TIP3 7597 5.393 2.083 -2.734 1.00 0.00 WT3 O ATOM 45476 H1 TIP3 7597 -14.335 -5.786 -4.164 1.00 0.00 WT3 H ATOM 45477 H2 TIP3 7597 -23.377 -14.582 -7.248 1.00 0.00 WT3 H ATOM 45478 OH2 TIP3 7598 -0.331 1.736 -3.922 1.00 0.00 WT3 O ATOM 45479 H1 TIP3 7598 -1.082 1.328 -15.385 1.00 0.00 WT3 H ATOM 45480 H2 TIP3 7598 -3.916 -6.515 -0.601 1.00 0.00 WT3 H ATOM 45481 OH2 TIP3 7599 0.172 -7.060 -4.798 1.00 0.00 WT3 O ATOM 45482 H1 TIP3 7599 3.113 -0.106 12.277 1.00 0.00 WT3 H ATOM 45483 H2 TIP3 7599 -17.095 -10.488 -3.700 1.00 0.00 WT3 H ATOM 45484 OH2 TIP3 7600 3.284 0.372 -1.529 1.00 0.00 WT3 O ATOM 45485 H1 TIP3 7600 8.946 -1.258 1.990 1.00 0.00 WT3 H ATOM 45486 H2 TIP3 7600 -10.118 -1.534 -3.046 1.00 0.00 WT3 H ATOM 45487 OH2 TIP3 7602 -0.087 7.723 -2.100 1.00 0.00 WT3 O ATOM 45488 H1 TIP3 7602 -5.834 -19.317 -10.335 1.00 0.00 WT3 H ATOM 45489 H2 TIP3 7602 -1.283 -24.437 -16.712 1.00 0.00 WT3 H ATOM 45490 OH2 TIP3 7604 -3.404 5.512 1.281 1.00 0.00 WT3 O ATOM 45491 H1 TIP3 7604 -4.237 1.166 -0.120 1.00 0.00 WT3 H ATOM 45492 H2 TIP3 7604 0.938 9.879 -4.889 1.00 0.00 WT3 H ATOM 45493 OH2 TIP3 7605 -0.057 2.854 -2.814 1.00 0.00 WT3 O ATOM 45494 H1 TIP3 7605 -5.573 -3.778 8.019 1.00 0.00 WT3 H ATOM 45495 H2 TIP3 7605 7.881 8.655 -12.766 1.00 0.00 WT3 H ATOM 45496 OH2 TIP3 7606 2.114 -2.365 -3.398 1.00 0.00 WT3 O ATOM 45497 H1 TIP3 7606 8.051 6.047 10.615 1.00 0.00 WT3 H ATOM 45498 H2 TIP3 7606 -12.812 -11.178 -19.755 1.00 0.00 WT3 H ATOM 45499 OH2 TIP3 7608 5.797 -6.372 5.948 1.00 0.00 WT3 O ATOM 45500 H1 TIP3 7608 2.301 -1.020 4.838 1.00 0.00 WT3 H ATOM 45501 H2 TIP3 7608 13.490 0.220 3.250 1.00 0.00 WT3 H ATOM 45502 OH2 TIP3 7609 -1.630 -0.691 2.399 1.00 0.00 WT3 O ATOM 45503 H1 TIP3 7609 0.973 -4.646 2.120 1.00 0.00 WT3 H ATOM 45504 H2 TIP3 7609 -5.346 -2.628 1.249 1.00 0.00 WT3 H ATOM 45505 OH2 TIP3 7610 -6.615 4.146 10.528 1.00 0.00 WT3 O ATOM 45506 H1 TIP3 7610 -6.102 10.296 17.162 1.00 0.00 WT3 H ATOM 45507 H2 TIP3 7610 15.448 -3.302 -11.979 1.00 0.00 WT3 H ATOM 45508 OH2 TIP3 7611 -2.561 -1.184 0.263 1.00 0.00 WT3 O ATOM 45509 H1 TIP3 7611 -5.437 -10.353 -1.128 1.00 0.00 WT3 H ATOM 45510 H2 TIP3 7611 -7.086 -34.364 0.806 1.00 0.00 WT3 H ATOM 45511 OH2 TIP3 7612 1.488 4.375 1.648 1.00 0.00 WT3 O ATOM 45512 H1 TIP3 7612 15.655 1.486 0.874 1.00 0.00 WT3 H ATOM 45513 H2 TIP3 7612 -0.335 8.166 11.259 1.00 0.00 WT3 H ATOM 45514 OH2 TIP3 7613 -2.086 -1.832 -4.446 1.00 0.00 WT3 O ATOM 45515 H1 TIP3 7613 6.630 5.545 13.648 1.00 0.00 WT3 H ATOM 45516 H2 TIP3 7613 3.142 3.259 7.186 1.00 0.00 WT3 H ATOM 45517 OH2 TIP3 7614 1.233 -3.570 -0.011 1.00 0.00 WT3 O ATOM 45518 H1 TIP3 7614 6.190 -2.667 -0.268 1.00 0.00 WT3 H ATOM 45519 H2 TIP3 7614 -18.246 -4.830 1.292 1.00 0.00 WT3 H ATOM 45520 OH2 TIP3 7615 5.420 3.913 -5.802 1.00 0.00 WT3 O ATOM 45521 H1 TIP3 7615 10.330 -1.597 -14.064 1.00 0.00 WT3 H ATOM 45522 H2 TIP3 7615 7.128 -16.259 -13.724 1.00 0.00 WT3 H ATOM 45523 OH2 TIP3 7616 1.229 -1.768 7.415 1.00 0.00 WT3 O ATOM 45524 H1 TIP3 7616 -3.701 -27.707 4.196 1.00 0.00 WT3 H ATOM 45525 H2 TIP3 7616 31.203 -4.894 -2.445 1.00 0.00 WT3 H ATOM 45526 OH2 TIP3 7617 -4.667 -7.892 -1.628 1.00 0.00 WT3 O ATOM 45527 H1 TIP3 7617 1.376 -37.020 0.405 1.00 0.00 WT3 H ATOM 45528 H2 TIP3 7617 2.966 -3.357 -17.645 1.00 0.00 WT3 H ATOM 45529 OH2 TIP3 7618 3.459 5.853 -2.187 1.00 0.00 WT3 O ATOM 45530 H1 TIP3 7618 -4.022 -0.709 -4.924 1.00 0.00 WT3 H ATOM 45531 H2 TIP3 7618 -2.716 9.345 7.002 1.00 0.00 WT3 H ATOM 45532 OH2 TIP3 7619 3.863 -7.141 -5.602 1.00 0.00 WT3 O ATOM 45533 H1 TIP3 7619 12.354 -9.272 -5.348 1.00 0.00 WT3 H ATOM 45534 H2 TIP3 7619 13.780 1.979 13.185 1.00 0.00 WT3 H ATOM 45535 OH2 TIP3 7620 2.470 1.776 2.747 1.00 0.00 WT3 O ATOM 45536 H1 TIP3 7620 -2.159 10.000 12.107 1.00 0.00 WT3 H ATOM 45537 H2 TIP3 7620 -24.201 8.784 4.452 1.00 0.00 WT3 H ATOM 45538 OH2 TIP3 7621 0.351 -1.388 -2.701 1.00 0.00 WT3 O ATOM 45539 H1 TIP3 7621 11.691 19.729 -9.151 1.00 0.00 WT3 H ATOM 45540 H2 TIP3 7621 8.943 -9.483 0.780 1.00 0.00 WT3 H ATOM 45541 OH2 TIP3 7623 1.916 -3.261 -4.318 1.00 0.00 WT3 O ATOM 45542 H1 TIP3 7623 -3.865 -1.664 -3.651 1.00 0.00 WT3 H ATOM 45543 H2 TIP3 7623 -2.857 -13.113 3.290 1.00 0.00 WT3 H ATOM 45544 OH2 TIP3 7624 7.776 -1.089 -0.835 1.00 0.00 WT3 O ATOM 45545 H1 TIP3 7624 -3.940 22.540 -21.482 1.00 0.00 WT3 H ATOM 45546 H2 TIP3 7624 18.116 -23.089 8.737 1.00 0.00 WT3 H ATOM 45547 OH2 TIP3 7625 -0.099 0.721 -9.003 1.00 0.00 WT3 O ATOM 45548 H1 TIP3 7625 5.636 0.202 -3.492 1.00 0.00 WT3 H ATOM 45549 H2 TIP3 7625 4.540 2.941 1.675 1.00 0.00 WT3 H ATOM 45550 OH2 TIP3 7626 -4.870 0.693 -2.813 1.00 0.00 WT3 O ATOM 45551 H1 TIP3 7626 -20.765 -2.578 9.895 1.00 0.00 WT3 H ATOM 45552 H2 TIP3 7626 -3.054 -14.539 -16.496 1.00 0.00 WT3 H ATOM 45553 OH2 TIP3 7627 -3.482 -3.982 5.779 1.00 0.00 WT3 O ATOM 45554 H1 TIP3 7627 0.664 0.934 23.296 1.00 0.00 WT3 H ATOM 45555 H2 TIP3 7627 -8.025 2.311 6.814 1.00 0.00 WT3 H ATOM 45556 OH2 TIP3 7628 -8.188 0.618 10.593 1.00 0.00 WT3 O ATOM 45557 H1 TIP3 7628 -25.424 -11.020 -18.554 1.00 0.00 WT3 H ATOM 45558 H2 TIP3 7628 10.687 -15.324 10.500 1.00 0.00 WT3 H ATOM 45559 OH2 TIP3 7629 -1.103 5.470 -1.651 1.00 0.00 WT3 O ATOM 45560 H1 TIP3 7629 9.142 -4.095 7.489 1.00 0.00 WT3 H ATOM 45561 H2 TIP3 7629 -12.259 17.354 -5.333 1.00 0.00 WT3 H ATOM 45562 OH2 TIP3 7630 3.903 -2.051 6.099 1.00 0.00 WT3 O ATOM 45563 H1 TIP3 7630 2.730 -21.957 -17.598 1.00 0.00 WT3 H ATOM 45564 H2 TIP3 7630 -16.561 5.037 -0.930 1.00 0.00 WT3 H ATOM 45565 OH2 TIP3 7631 0.692 -4.858 4.983 1.00 0.00 WT3 O ATOM 45566 H1 TIP3 7631 -8.401 12.694 -15.245 1.00 0.00 WT3 H ATOM 45567 H2 TIP3 7631 -1.265 4.071 2.089 1.00 0.00 WT3 H ATOM 45568 OH2 TIP3 7632 0.069 6.425 1.521 1.00 0.00 WT3 O ATOM 45569 H1 TIP3 7632 -8.034 4.786 -10.864 1.00 0.00 WT3 H ATOM 45570 H2 TIP3 7632 -5.572 20.351 7.843 1.00 0.00 WT3 H ATOM 45571 OH2 TIP3 7633 -9.058 -2.327 3.772 1.00 0.00 WT3 O ATOM 45572 H1 TIP3 7633 -5.596 -7.559 1.961 1.00 0.00 WT3 H ATOM 45573 H2 TIP3 7633 -0.004 1.907 8.872 1.00 0.00 WT3 H ATOM 45574 OH2 TIP3 7634 3.150 6.564 -6.862 1.00 0.00 WT3 O ATOM 45575 H1 TIP3 7634 4.708 9.055 -0.925 1.00 0.00 WT3 H ATOM 45576 H2 TIP3 7634 8.301 8.082 -11.870 1.00 0.00 WT3 H ATOM 45577 OH2 TIP3 7635 -8.385 -2.482 1.665 1.00 0.00 WT3 O ATOM 45578 H1 TIP3 7635 -6.261 -3.524 2.731 1.00 0.00 WT3 H ATOM 45579 H2 TIP3 7635 14.121 24.165 -4.203 1.00 0.00 WT3 H ATOM 45580 OH2 TIP3 7636 -4.709 2.094 -2.374 1.00 0.00 WT3 O ATOM 45581 H1 TIP3 7636 -7.774 7.744 16.990 1.00 0.00 WT3 H ATOM 45582 H2 TIP3 7636 -3.961 3.017 -1.884 1.00 0.00 WT3 H ATOM 45583 OH2 TIP3 7637 5.217 9.876 3.987 1.00 0.00 WT3 O ATOM 45584 H1 TIP3 7637 7.426 10.168 2.784 1.00 0.00 WT3 H ATOM 45585 H2 TIP3 7637 5.531 6.769 -0.741 1.00 0.00 WT3 H ATOM 45586 OH2 TIP3 7638 0.057 -1.264 -1.940 1.00 0.00 WT3 O ATOM 45587 H1 TIP3 7638 12.224 -1.128 -6.456 1.00 0.00 WT3 H ATOM 45588 H2 TIP3 7638 -4.182 8.273 4.994 1.00 0.00 WT3 H ATOM 45589 OH2 TIP3 7639 -7.582 1.786 2.931 1.00 0.00 WT3 O ATOM 45590 H1 TIP3 7639 -1.509 -1.408 7.135 1.00 0.00 WT3 H ATOM 45591 H2 TIP3 7639 -15.524 16.976 -9.030 1.00 0.00 WT3 H ATOM 45592 OH2 TIP3 7640 0.563 -0.476 3.008 1.00 0.00 WT3 O ATOM 45593 H1 TIP3 7640 3.352 0.994 1.293 1.00 0.00 WT3 H ATOM 45594 H2 TIP3 7640 -18.384 2.678 0.458 1.00 0.00 WT3 H ATOM 45595 OH2 TIP3 7641 -4.359 3.550 -2.573 1.00 0.00 WT3 O ATOM 45596 H1 TIP3 7641 0.109 -6.134 6.455 1.00 0.00 WT3 H ATOM 45597 H2 TIP3 7641 -11.200 -4.342 -0.940 1.00 0.00 WT3 H ATOM 45598 OH2 TIP3 7642 5.822 -8.501 -0.434 1.00 0.00 WT3 O ATOM 45599 H1 TIP3 7642 0.192 -13.066 -6.465 1.00 0.00 WT3 H ATOM 45600 H2 TIP3 7642 -1.890 -13.836 11.395 1.00 0.00 WT3 H ATOM 45601 OH2 TIP3 7643 -2.189 -1.491 3.163 1.00 0.00 WT3 O ATOM 45602 H1 TIP3 7643 -18.343 8.919 7.644 1.00 0.00 WT3 H ATOM 45603 H2 TIP3 7643 3.543 -7.072 18.865 1.00 0.00 WT3 H ATOM 45604 OH2 TIP3 7644 2.618 0.749 1.454 1.00 0.00 WT3 O ATOM 45605 H1 TIP3 7644 -1.126 11.027 2.440 1.00 0.00 WT3 H ATOM 45606 H2 TIP3 7644 14.102 -1.094 -12.577 1.00 0.00 WT3 H ATOM 45607 OH2 TIP3 7645 6.114 8.793 -4.574 1.00 0.00 WT3 O ATOM 45608 H1 TIP3 7645 8.393 4.956 0.357 1.00 0.00 WT3 H ATOM 45609 H2 TIP3 7645 -12.336 -4.664 -1.907 1.00 0.00 WT3 H ATOM 45610 OH2 TIP3 7646 -4.218 -0.737 9.587 1.00 0.00 WT3 O ATOM 45611 H1 TIP3 7646 -3.546 7.444 9.523 1.00 0.00 WT3 H ATOM 45612 H2 TIP3 7646 -4.460 -1.758 17.095 1.00 0.00 WT3 H ATOM 45613 OH2 TIP3 7647 -0.653 2.354 -7.045 1.00 0.00 WT3 O ATOM 45614 H1 TIP3 7647 -20.485 24.004 -18.925 1.00 0.00 WT3 H ATOM 45615 H2 TIP3 7647 -4.753 17.988 8.062 1.00 0.00 WT3 H ATOM 45616 OH2 TIP3 7649 -3.783 0.747 -0.995 1.00 0.00 WT3 O ATOM 45617 H1 TIP3 7649 -3.661 -3.394 -3.736 1.00 0.00 WT3 H ATOM 45618 H2 TIP3 7649 2.707 -2.706 9.741 1.00 0.00 WT3 H ATOM 45619 OH2 TIP3 7650 7.025 1.197 0.302 1.00 0.00 WT3 O ATOM 45620 H1 TIP3 7650 -1.863 16.188 0.758 1.00 0.00 WT3 H ATOM 45621 H2 TIP3 7650 0.964 10.102 -3.553 1.00 0.00 WT3 H ATOM 45622 OH2 TIP3 7651 11.424 -4.658 1.521 1.00 0.00 WT3 O ATOM 45623 H1 TIP3 7651 10.762 -11.418 -4.369 1.00 0.00 WT3 H ATOM 45624 H2 TIP3 7651 8.271 -8.167 2.530 1.00 0.00 WT3 H ATOM 45625 OH2 TIP3 7652 -0.238 0.450 -8.327 1.00 0.00 WT3 O ATOM 45626 H1 TIP3 7652 13.830 -6.913 -24.870 1.00 0.00 WT3 H ATOM 45627 H2 TIP3 7652 13.317 12.340 12.827 1.00 0.00 WT3 H ATOM 45628 OH2 TIP3 7653 -6.311 -6.919 -5.388 1.00 0.00 WT3 O ATOM 45629 H1 TIP3 7653 -3.483 -7.829 -11.851 1.00 0.00 WT3 H ATOM 45630 H2 TIP3 7653 -11.741 -5.049 4.514 1.00 0.00 WT3 H ATOM 45631 OH2 TIP3 7654 -1.083 2.428 5.813 1.00 0.00 WT3 O ATOM 45632 H1 TIP3 7654 3.710 12.891 13.641 1.00 0.00 WT3 H ATOM 45633 H2 TIP3 7654 -14.584 -1.318 7.872 1.00 0.00 WT3 H ATOM 45634 OH2 TIP3 7656 -6.667 1.802 4.059 1.00 0.00 WT3 O ATOM 45635 H1 TIP3 7656 3.649 -7.000 -1.186 1.00 0.00 WT3 H ATOM 45636 H2 TIP3 7656 17.984 -21.585 -13.815 1.00 0.00 WT3 H ATOM 45637 OH2 TIP3 7657 1.761 0.705 6.001 1.00 0.00 WT3 O ATOM 45638 H1 TIP3 7657 -4.631 -18.411 17.090 1.00 0.00 WT3 H ATOM 45639 H2 TIP3 7657 1.541 2.368 0.898 1.00 0.00 WT3 H ATOM 45640 OH2 TIP3 7658 0.049 6.875 -5.816 1.00 0.00 WT3 O ATOM 45641 H1 TIP3 7658 -20.728 13.155 7.285 1.00 0.00 WT3 H ATOM 45642 H2 TIP3 7658 -17.556 4.598 17.243 1.00 0.00 WT3 H ATOM 45643 OH2 TIP3 7659 -2.778 3.381 6.880 1.00 0.00 WT3 O ATOM 45644 H1 TIP3 7659 23.422 4.886 -4.600 1.00 0.00 WT3 H ATOM 45645 H2 TIP3 7659 3.342 -18.645 8.404 1.00 0.00 WT3 H ATOM 45646 OH2 TIP3 7661 -3.833 1.326 -2.797 1.00 0.00 WT3 O ATOM 45647 H1 TIP3 7661 0.768 19.192 -2.517 1.00 0.00 WT3 H ATOM 45648 H2 TIP3 7661 -2.840 -5.203 -4.080 1.00 0.00 WT3 H ATOM 45649 OH2 TIP3 7663 8.255 10.620 1.286 1.00 0.00 WT3 O ATOM 45650 H1 TIP3 7663 -23.395 16.084 -11.115 1.00 0.00 WT3 H ATOM 45651 H2 TIP3 7663 8.606 6.505 -0.210 1.00 0.00 WT3 H ATOM 45652 OH2 TIP3 7664 3.411 -0.817 -3.129 1.00 0.00 WT3 O ATOM 45653 H1 TIP3 7664 0.688 2.179 -29.169 1.00 0.00 WT3 H ATOM 45654 H2 TIP3 7664 3.964 -0.274 -0.664 1.00 0.00 WT3 H ATOM 45655 OH2 TIP3 7665 1.040 -2.768 -5.715 1.00 0.00 WT3 O ATOM 45656 H1 TIP3 7665 -8.399 -13.958 -22.217 1.00 0.00 WT3 H ATOM 45657 H2 TIP3 7665 -2.611 15.787 -15.715 1.00 0.00 WT3 H ATOM 45658 OH2 TIP3 7666 -1.726 -2.643 -2.072 1.00 0.00 WT3 O ATOM 45659 H1 TIP3 7666 -4.027 -14.506 -6.554 1.00 0.00 WT3 H ATOM 45660 H2 TIP3 7666 13.648 -15.008 11.498 1.00 0.00 WT3 H ATOM 45661 OH2 TIP3 7668 -2.202 7.352 3.186 1.00 0.00 WT3 O ATOM 45662 H1 TIP3 7668 -9.470 -5.896 -5.795 1.00 0.00 WT3 H ATOM 45663 H2 TIP3 7668 -29.305 -10.107 -0.870 1.00 0.00 WT3 H ATOM 45664 OH2 TIP3 7669 -2.738 4.443 0.001 1.00 0.00 WT3 O ATOM 45665 H1 TIP3 7669 16.622 1.018 -1.212 1.00 0.00 WT3 H ATOM 45666 H2 TIP3 7669 41.872 -0.556 -0.976 1.00 0.00 WT3 H ATOM 45667 OH2 TIP3 7670 -5.050 -0.891 -5.621 1.00 0.00 WT3 O ATOM 45668 H1 TIP3 7670 8.585 14.876 19.225 1.00 0.00 WT3 H ATOM 45669 H2 TIP3 7670 12.805 4.867 -23.059 1.00 0.00 WT3 H ATOM 45670 OH2 TIP3 7671 -0.555 -3.843 -6.234 1.00 0.00 WT3 O ATOM 45671 H1 TIP3 7671 5.132 -6.087 -10.200 1.00 0.00 WT3 H ATOM 45672 H2 TIP3 7671 14.684 4.048 -2.657 1.00 0.00 WT3 H ATOM 45673 OH2 TIP3 7674 0.669 -2.225 6.622 1.00 0.00 WT3 O ATOM 45674 H1 TIP3 7674 -1.442 -3.867 7.707 1.00 0.00 WT3 H ATOM 45675 H2 TIP3 7674 0.528 -3.857 6.900 1.00 0.00 WT3 H ATOM 45676 OH2 TIP3 7675 -4.015 0.680 4.370 1.00 0.00 WT3 O ATOM 45677 H1 TIP3 7675 -7.699 -11.008 10.947 1.00 0.00 WT3 H ATOM 45678 H2 TIP3 7675 0.162 13.133 -1.676 1.00 0.00 WT3 H ATOM 45679 OH2 TIP3 7676 -3.313 1.841 2.851 1.00 0.00 WT3 O ATOM 45680 H1 TIP3 7676 13.568 -1.241 -9.893 1.00 0.00 WT3 H ATOM 45681 H2 TIP3 7676 -7.991 -13.926 9.207 1.00 0.00 WT3 H ATOM 45682 OH2 TIP3 7677 3.567 2.723 1.508 1.00 0.00 WT3 O ATOM 45683 H1 TIP3 7677 10.706 -13.326 7.974 1.00 0.00 WT3 H ATOM 45684 H2 TIP3 7677 -11.150 0.488 -15.665 1.00 0.00 WT3 H ATOM 45685 OH2 TIP3 7678 -2.993 1.322 2.373 1.00 0.00 WT3 O ATOM 45686 H1 TIP3 7678 7.229 3.882 5.595 1.00 0.00 WT3 H ATOM 45687 H2 TIP3 7678 9.574 3.977 10.444 1.00 0.00 WT3 H ATOM 45688 OH2 TIP3 7679 1.009 -2.845 -0.248 1.00 0.00 WT3 O ATOM 45689 H1 TIP3 7679 14.624 1.508 8.025 1.00 0.00 WT3 H ATOM 45690 H2 TIP3 7679 -20.063 -4.683 -12.397 1.00 0.00 WT3 H ATOM 45691 OH2 TIP3 7680 -3.041 3.817 4.779 1.00 0.00 WT3 O ATOM 45692 H1 TIP3 7680 7.046 4.760 -0.867 1.00 0.00 WT3 H ATOM 45693 H2 TIP3 7680 7.230 -6.226 8.981 1.00 0.00 WT3 H ATOM 45694 OH2 TIP3 7681 4.243 4.515 1.107 1.00 0.00 WT3 O ATOM 45695 H1 TIP3 7681 14.682 11.024 -7.315 1.00 0.00 WT3 H ATOM 45696 H2 TIP3 7681 10.144 -2.487 11.470 1.00 0.00 WT3 H ATOM 45697 OH2 TIP3 7682 0.597 5.463 -2.730 1.00 0.00 WT3 O ATOM 45698 H1 TIP3 7682 -2.915 3.192 -19.814 1.00 0.00 WT3 H ATOM 45699 H2 TIP3 7682 -11.306 12.313 33.179 1.00 0.00 WT3 H ATOM 45700 OH2 TIP3 7683 1.697 4.754 -0.817 1.00 0.00 WT3 O ATOM 45701 H1 TIP3 7683 17.373 -3.677 14.071 1.00 0.00 WT3 H ATOM 45702 H2 TIP3 7683 -0.582 -17.266 11.311 1.00 0.00 WT3 H ATOM 45703 OH2 TIP3 7684 -0.070 -0.889 -4.202 1.00 0.00 WT3 O ATOM 45704 H1 TIP3 7684 -20.756 9.068 3.477 1.00 0.00 WT3 H ATOM 45705 H2 TIP3 7684 10.915 9.198 0.709 1.00 0.00 WT3 H ATOM 45706 OH2 TIP3 7685 -0.098 1.134 -2.123 1.00 0.00 WT3 O ATOM 45707 H1 TIP3 7685 1.502 -0.002 -5.869 1.00 0.00 WT3 H ATOM 45708 H2 TIP3 7685 8.211 5.520 -15.230 1.00 0.00 WT3 H ATOM 45709 OH2 TIP3 7686 -0.883 -3.798 -2.064 1.00 0.00 WT3 O ATOM 45710 H1 TIP3 7686 -4.952 -19.983 19.159 1.00 0.00 WT3 H ATOM 45711 H2 TIP3 7686 23.897 -1.698 -4.908 1.00 0.00 WT3 H ATOM 45712 OH2 TIP3 7690 -8.887 1.834 -1.392 1.00 0.00 WT3 O ATOM 45713 H1 TIP3 7690 2.201 -8.271 0.426 1.00 0.00 WT3 H ATOM 45714 H2 TIP3 7690 -4.617 -2.909 -2.101 1.00 0.00 WT3 H ATOM 45715 OH2 TIP3 7691 3.626 -1.776 -3.029 1.00 0.00 WT3 O ATOM 45716 H1 TIP3 7691 -1.327 -7.792 1.062 1.00 0.00 WT3 H ATOM 45717 H2 TIP3 7691 9.160 -1.945 0.695 1.00 0.00 WT3 H ATOM 45718 OH2 TIP3 7694 5.637 4.257 3.322 1.00 0.00 WT3 O ATOM 45719 H1 TIP3 7694 -12.919 7.111 9.895 1.00 0.00 WT3 H ATOM 45720 H2 TIP3 7694 15.650 0.412 -4.203 1.00 0.00 WT3 H ATOM 45721 OH2 TIP3 7695 -1.200 -3.653 -1.109 1.00 0.00 WT3 O ATOM 45722 H1 TIP3 7695 4.094 4.000 -17.240 1.00 0.00 WT3 H ATOM 45723 H2 TIP3 7695 22.300 -3.192 -28.322 1.00 0.00 WT3 H ATOM 45724 OH2 TIP3 7696 -4.746 4.571 4.083 1.00 0.00 WT3 O ATOM 45725 H1 TIP3 7696 3.848 -2.719 20.251 1.00 0.00 WT3 H ATOM 45726 H2 TIP3 7696 5.562 -14.809 -6.511 1.00 0.00 WT3 H ATOM 45727 OH2 TIP3 7697 -2.247 7.898 7.500 1.00 0.00 WT3 O ATOM 45728 H1 TIP3 7697 14.165 7.918 0.369 1.00 0.00 WT3 H ATOM 45729 H2 TIP3 7697 9.418 27.004 3.852 1.00 0.00 WT3 H ATOM 45730 OH2 TIP3 7698 -4.298 1.517 3.864 1.00 0.00 WT3 O ATOM 45731 H1 TIP3 7698 -3.086 14.482 23.447 1.00 0.00 WT3 H ATOM 45732 H2 TIP3 7698 7.297 12.144 -15.465 1.00 0.00 WT3 H ATOM 45733 OH2 TIP3 7700 0.753 -3.825 -1.851 1.00 0.00 WT3 O ATOM 45734 H1 TIP3 7700 5.843 6.543 1.302 1.00 0.00 WT3 H ATOM 45735 H2 TIP3 7700 -14.664 -16.503 -0.265 1.00 0.00 WT3 H ATOM 45736 OH2 TIP3 7701 3.344 -1.767 -0.827 1.00 0.00 WT3 O ATOM 45737 H1 TIP3 7701 2.762 -7.277 -2.422 1.00 0.00 WT3 H ATOM 45738 H2 TIP3 7701 9.102 2.784 -1.819 1.00 0.00 WT3 H ATOM 45739 OH2 TIP3 7702 1.096 0.674 3.286 1.00 0.00 WT3 O ATOM 45740 H1 TIP3 7702 5.818 -16.371 7.814 1.00 0.00 WT3 H ATOM 45741 H2 TIP3 7702 -7.168 14.059 -6.229 1.00 0.00 WT3 H ATOM 45742 OH2 TIP3 7704 2.362 1.150 3.902 1.00 0.00 WT3 O ATOM 45743 H1 TIP3 7704 24.389 -1.354 -8.478 1.00 0.00 WT3 H ATOM 45744 H2 TIP3 7704 -18.447 4.979 16.000 1.00 0.00 WT3 H ATOM 45745 OH2 TIP3 7705 -4.949 -4.544 -7.657 1.00 0.00 WT3 O ATOM 45746 H1 TIP3 7705 6.688 -10.716 -1.667 1.00 0.00 WT3 H ATOM 45747 H2 TIP3 7705 -10.459 -1.290 -10.490 1.00 0.00 WT3 H ATOM 45748 OH2 TIP3 7706 4.282 1.087 2.019 1.00 0.00 WT3 O ATOM 45749 H1 TIP3 7706 4.477 9.912 -9.497 1.00 0.00 WT3 H ATOM 45750 H2 TIP3 7706 10.676 -11.973 1.554 1.00 0.00 WT3 H ATOM 45751 OH2 TIP3 7707 6.128 4.084 -2.267 1.00 0.00 WT3 O ATOM 45752 H1 TIP3 7707 -0.997 -4.098 -7.303 1.00 0.00 WT3 H ATOM 45753 H2 TIP3 7707 27.991 2.579 -16.453 1.00 0.00 WT3 H ATOM 45754 OH2 TIP3 7708 0.466 -2.557 5.094 1.00 0.00 WT3 O ATOM 45755 H1 TIP3 7708 -12.808 3.425 -6.461 1.00 0.00 WT3 H ATOM 45756 H2 TIP3 7708 10.543 -10.749 4.372 1.00 0.00 WT3 H ATOM 45757 OH2 TIP3 7709 -3.615 3.480 1.165 1.00 0.00 WT3 O ATOM 45758 H1 TIP3 7709 0.453 -1.115 6.817 1.00 0.00 WT3 H ATOM 45759 H2 TIP3 7709 1.276 -2.176 4.913 1.00 0.00 WT3 H ATOM 45760 OH2 TIP3 7710 7.659 4.948 2.432 1.00 0.00 WT3 O ATOM 45761 H1 TIP3 7710 2.877 5.516 -0.299 1.00 0.00 WT3 H ATOM 45762 H2 TIP3 7710 -5.580 7.577 -4.571 1.00 0.00 WT3 H ATOM 45763 OH2 TIP3 7712 -4.512 0.811 -2.729 1.00 0.00 WT3 O ATOM 45764 H1 TIP3 7712 0.130 2.409 -2.385 1.00 0.00 WT3 H ATOM 45765 H2 TIP3 7712 -8.644 -1.889 0.801 1.00 0.00 WT3 H ATOM 45766 OH2 TIP3 7713 8.912 -1.186 -2.337 1.00 0.00 WT3 O ATOM 45767 H1 TIP3 7713 15.300 4.245 6.110 1.00 0.00 WT3 H ATOM 45768 H2 TIP3 7713 10.274 -0.517 -1.860 1.00 0.00 WT3 H ATOM 45769 OH2 TIP3 7714 -7.831 4.430 -3.529 1.00 0.00 WT3 O ATOM 45770 H1 TIP3 7714 -10.885 9.221 -2.698 1.00 0.00 WT3 H ATOM 45771 H2 TIP3 7714 -5.595 0.901 -8.784 1.00 0.00 WT3 H ATOM 45772 OH2 TIP3 7716 7.376 4.457 3.316 1.00 0.00 WT3 O ATOM 45773 H1 TIP3 7716 4.251 -22.857 -13.605 1.00 0.00 WT3 H ATOM 45774 H2 TIP3 7716 -2.924 2.134 -2.535 1.00 0.00 WT3 H ATOM 45775 OH2 TIP3 7717 3.457 3.927 -8.351 1.00 0.00 WT3 O ATOM 45776 H1 TIP3 7717 34.341 14.322 12.946 1.00 0.00 WT3 H ATOM 45777 H2 TIP3 7717 -0.102 7.204 -16.748 1.00 0.00 WT3 H ATOM 45778 OH2 TIP3 7721 -3.513 2.454 -6.896 1.00 0.00 WT3 O ATOM 45779 H1 TIP3 7721 -24.430 1.451 -6.175 1.00 0.00 WT3 H ATOM 45780 H2 TIP3 7721 -11.694 32.165 -13.245 1.00 0.00 WT3 H ATOM 45781 OH2 TIP3 7722 7.814 5.502 2.361 1.00 0.00 WT3 O ATOM 45782 H1 TIP3 7722 11.773 0.705 -14.355 1.00 0.00 WT3 H ATOM 45783 H2 TIP3 7722 12.714 3.946 17.116 1.00 0.00 WT3 H ATOM 45784 OH2 TIP3 7723 -3.052 -2.758 4.647 1.00 0.00 WT3 O ATOM 45785 H1 TIP3 7723 -2.939 0.180 5.481 1.00 0.00 WT3 H ATOM 45786 H2 TIP3 7723 -5.246 4.000 3.625 1.00 0.00 WT3 H ATOM 45787 OH2 TIP3 7724 -6.056 3.928 0.462 1.00 0.00 WT3 O ATOM 45788 H1 TIP3 7724 24.954 -6.197 11.158 1.00 0.00 WT3 H ATOM 45789 H2 TIP3 7724 8.109 1.258 -9.574 1.00 0.00 WT3 H ATOM 45790 OH2 TIP3 7733 -0.152 -1.166 2.446 1.00 0.00 WT3 O ATOM 45791 H1 TIP3 7733 8.162 -13.718 8.975 1.00 0.00 WT3 H ATOM 45792 H2 TIP3 7733 -3.791 -0.339 -1.084 1.00 0.00 WT3 H ATOM 45793 OH2 TIP3 7734 1.947 -2.004 -4.235 1.00 0.00 WT3 O ATOM 45794 H1 TIP3 7734 0.461 -12.647 4.528 1.00 0.00 WT3 H ATOM 45795 H2 TIP3 7734 7.521 -5.896 -8.947 1.00 0.00 WT3 H ATOM 45796 OH2 TIP3 7735 2.892 -2.073 4.238 1.00 0.00 WT3 O ATOM 45797 H1 TIP3 7735 -7.425 20.639 -1.652 1.00 0.00 WT3 H ATOM 45798 H2 TIP3 7735 24.719 -22.504 22.776 1.00 0.00 WT3 H ATOM 45799 OH2 TIP3 7739 3.042 3.866 1.449 1.00 0.00 WT3 O ATOM 45800 H1 TIP3 7739 10.197 -2.422 17.716 1.00 0.00 WT3 H ATOM 45801 H2 TIP3 7739 8.698 1.896 0.836 1.00 0.00 WT3 H ATOM 45802 OH2 TIP3 7743 -4.273 1.886 -3.977 1.00 0.00 WT3 O ATOM 45803 H1 TIP3 7743 -11.227 -13.203 2.622 1.00 0.00 WT3 H ATOM 45804 H2 TIP3 7743 -11.033 -13.162 0.283 1.00 0.00 WT3 H ATOM 45805 OH2 TIP3 7744 -1.846 -0.061 -5.487 1.00 0.00 WT3 O ATOM 45806 H1 TIP3 7744 9.689 5.985 -17.465 1.00 0.00 WT3 H ATOM 45807 H2 TIP3 7744 18.767 -4.861 3.854 1.00 0.00 WT3 H ATOM 45808 OH2 TIP3 7757 1.537 5.710 -8.016 1.00 0.00 WT3 O ATOM 45809 H1 TIP3 7757 1.555 4.348 -6.847 1.00 0.00 WT3 H ATOM 45810 H2 TIP3 7757 5.732 12.756 -14.669 1.00 0.00 WT3 H ATOM 45811 OH2 TIP3 7791 -0.454 -3.205 -1.152 1.00 0.00 WT3 O ATOM 45812 H1 TIP3 7791 -17.570 -5.328 -3.899 1.00 0.00 WT3 H ATOM 45813 H2 TIP3 7791 -25.560 -12.057 1.885 1.00 0.00 WT3 H ATOM 45814 OH2 TIP3 7855 -3.065 3.459 -3.922 1.00 0.00 WT3 O ATOM 45815 H1 TIP3 7855 -1.102 2.850 -3.366 1.00 0.00 WT3 H ATOM 45816 H2 TIP3 7855 2.967 2.978 -2.275 1.00 0.00 WT3 H ATOM 45817 OH2 TIP3 7867 2.470 -4.657 3.784 1.00 0.00 WT3 O ATOM 45818 H1 TIP3 7867 1.932 -4.114 6.659 1.00 0.00 WT3 H ATOM 45819 H2 TIP3 7867 -9.686 4.597 8.183 1.00 0.00 WT3 H ATOM 45820 OH2 TIP3 7869 3.867 1.633 6.124 1.00 0.00 WT3 O ATOM 45821 H1 TIP3 7869 1.831 0.419 12.279 1.00 0.00 WT3 H ATOM 45822 H2 TIP3 7869 3.573 3.330 -1.075 1.00 0.00 WT3 H ATOM 45823 OH2 TIP3 7872 -4.314 9.395 2.687 1.00 0.00 WT3 O ATOM 45824 H1 TIP3 7872 -0.784 21.542 18.889 1.00 0.00 WT3 H ATOM 45825 H2 TIP3 7872 -12.200 7.319 -0.134 1.00 0.00 WT3 H ATOM 45826 OH2 TIP3 7876 3.359 0.348 -1.452 1.00 0.00 WT3 O ATOM 45827 H1 TIP3 7876 2.124 -5.677 24.877 1.00 0.00 WT3 H ATOM 45828 H2 TIP3 7876 6.896 11.104 4.094 1.00 0.00 WT3 H ATOM 45829 OH2 TIP3 7883 0.240 -1.042 -4.008 1.00 0.00 WT3 O ATOM 45830 H1 TIP3 7883 -5.354 4.847 -10.261 1.00 0.00 WT3 H ATOM 45831 H2 TIP3 7883 -6.161 10.723 -18.245 1.00 0.00 WT3 H ATOM 45832 OH2 TIP3 7886 -2.790 -5.345 -2.859 1.00 0.00 WT3 O ATOM 45833 H1 TIP3 7886 -16.521 -32.242 24.852 1.00 0.00 WT3 H ATOM 45834 H2 TIP3 7886 20.514 -0.305 -5.980 1.00 0.00 WT3 H ATOM 45835 OH2 TIP3 7891 -1.034 2.002 -4.013 1.00 0.00 WT3 O ATOM 45836 H1 TIP3 7891 -6.612 5.342 0.786 1.00 0.00 WT3 H ATOM 45837 H2 TIP3 7891 12.361 -8.753 -1.104 1.00 0.00 WT3 H ATOM 45838 OH2 TIP3 7894 -0.771 -1.146 5.979 1.00 0.00 WT3 O ATOM 45839 H1 TIP3 7894 -0.935 -5.536 2.156 1.00 0.00 WT3 H ATOM 45840 H2 TIP3 7894 2.897 -2.084 9.448 1.00 0.00 WT3 H ATOM 45841 OH2 TIP3 7895 8.690 -2.265 -3.317 1.00 0.00 WT3 O ATOM 45842 H1 TIP3 7895 16.807 -11.508 -12.150 1.00 0.00 WT3 H ATOM 45843 H2 TIP3 7895 26.182 -12.118 4.425 1.00 0.00 WT3 H ATOM 45844 OH2 TIP3 7896 5.055 6.935 0.239 1.00 0.00 WT3 O ATOM 45845 H1 TIP3 7896 -9.215 -7.141 -10.391 1.00 0.00 WT3 H ATOM 45846 H2 TIP3 7896 -19.415 10.410 -0.839 1.00 0.00 WT3 H ATOM 45847 OH2 TIP3 7897 -4.560 -3.337 -3.394 1.00 0.00 WT3 O ATOM 45848 H1 TIP3 7897 7.362 3.459 22.713 1.00 0.00 WT3 H ATOM 45849 H2 TIP3 7897 -7.174 -7.676 -17.099 1.00 0.00 WT3 H ATOM 45850 OH2 TIP3 7901 -3.218 -4.063 -1.997 1.00 0.00 WT3 O ATOM 45851 H1 TIP3 7901 0.067 -0.363 -4.059 1.00 0.00 WT3 H ATOM 45852 H2 TIP3 7901 -7.645 15.952 -14.068 1.00 0.00 WT3 H ATOM 45853 OH2 TIP3 7908 2.944 0.602 9.344 1.00 0.00 WT3 O ATOM 45854 H1 TIP3 7908 11.388 -4.024 -21.336 1.00 0.00 WT3 H ATOM 45855 H2 TIP3 7908 6.847 -10.230 -2.220 1.00 0.00 WT3 H ATOM 45856 OH2 TIP3 7915 -3.470 4.183 1.389 1.00 0.00 WT3 O ATOM 45857 H1 TIP3 7915 8.991 -43.497 11.607 1.00 0.00 WT3 H ATOM 45858 H2 TIP3 7915 -1.653 -2.992 3.027 1.00 0.00 WT3 H ATOM 45859 OH2 TIP3 7922 5.331 -7.042 5.366 1.00 0.00 WT3 O ATOM 45860 H1 TIP3 7922 17.492 -3.300 13.338 1.00 0.00 WT3 H ATOM 45861 H2 TIP3 7922 -8.753 -24.622 6.102 1.00 0.00 WT3 H ATOM 45862 OH2 TIP3 7923 4.837 2.325 -1.296 1.00 0.00 WT3 O ATOM 45863 H1 TIP3 7923 -8.702 10.672 -6.740 1.00 0.00 WT3 H ATOM 45864 H2 TIP3 7923 9.887 4.860 3.775 1.00 0.00 WT3 H ATOM 45865 OH2 TIP3 7924 6.210 2.369 5.579 1.00 0.00 WT3 O ATOM 45866 H1 TIP3 7924 2.848 -6.112 -4.006 1.00 0.00 WT3 H ATOM 45867 H2 TIP3 7924 10.040 11.602 15.731 1.00 0.00 WT3 H ATOM 45868 OH2 TIP3 7926 1.408 0.556 -0.928 1.00 0.00 WT3 O ATOM 45869 H1 TIP3 7926 4.266 -0.802 -1.161 1.00 0.00 WT3 H ATOM 45870 H2 TIP3 7926 -0.192 -7.231 -0.177 1.00 0.00 WT3 H ATOM 45871 OH2 TIP3 7927 -0.331 -9.634 3.007 1.00 0.00 WT3 O ATOM 45872 H1 TIP3 7927 0.139 -9.236 -11.821 1.00 0.00 WT3 H ATOM 45873 H2 TIP3 7927 7.799 -5.946 10.167 1.00 0.00 WT3 H ATOM 45874 OH2 TIP3 7929 2.379 3.649 0.940 1.00 0.00 WT3 O ATOM 45875 H1 TIP3 7929 12.254 -0.345 -6.626 1.00 0.00 WT3 H ATOM 45876 H2 TIP3 7929 11.296 24.290 13.494 1.00 0.00 WT3 H ATOM 45877 OH2 TIP3 7930 -1.976 1.238 6.156 1.00 0.00 WT3 O ATOM 45878 H1 TIP3 7930 3.459 3.502 0.506 1.00 0.00 WT3 H ATOM 45879 H2 TIP3 7930 3.810 2.860 2.590 1.00 0.00 WT3 H ATOM 45880 OH2 TIP3 7931 -3.819 -6.049 -0.064 1.00 0.00 WT3 O ATOM 45881 H1 TIP3 7931 10.199 -4.165 -8.338 1.00 0.00 WT3 H ATOM 45882 H2 TIP3 7931 -4.108 6.306 20.753 1.00 0.00 WT3 H ATOM 45883 OH2 TIP3 7932 -2.801 4.990 0.136 1.00 0.00 WT3 O ATOM 45884 H1 TIP3 7932 2.991 -23.806 12.883 1.00 0.00 WT3 H ATOM 45885 H2 TIP3 7932 -1.496 9.773 -5.718 1.00 0.00 WT3 H ATOM 45886 OH2 TIP3 7933 -7.771 -2.538 0.831 1.00 0.00 WT3 O ATOM 45887 H1 TIP3 7933 -12.283 1.348 -1.917 1.00 0.00 WT3 H ATOM 45888 H2 TIP3 7933 3.783 6.290 -7.914 1.00 0.00 WT3 H ATOM 45889 OH2 TIP3 7937 6.899 -3.251 -0.722 1.00 0.00 WT3 O ATOM 45890 H1 TIP3 7937 -0.326 -8.690 9.852 1.00 0.00 WT3 H ATOM 45891 H2 TIP3 7937 3.852 17.554 -5.942 1.00 0.00 WT3 H ATOM 45892 OH2 TIP3 7938 -2.230 3.656 -2.310 1.00 0.00 WT3 O ATOM 45893 H1 TIP3 7938 -6.410 -18.244 17.050 1.00 0.00 WT3 H ATOM 45894 H2 TIP3 7938 10.740 3.254 -10.672 1.00 0.00 WT3 H ATOM 45895 OH2 TIP3 7939 0.584 -7.213 4.454 1.00 0.00 WT3 O ATOM 45896 H1 TIP3 7939 4.375 -3.189 7.467 1.00 0.00 WT3 H ATOM 45897 H2 TIP3 7939 -18.636 -1.061 15.778 1.00 0.00 WT3 H ATOM 45898 OH2 TIP3 7941 -2.567 0.520 -1.834 1.00 0.00 WT3 O ATOM 45899 H1 TIP3 7941 -6.022 6.248 -6.749 1.00 0.00 WT3 H ATOM 45900 H2 TIP3 7941 -4.994 -2.546 -1.536 1.00 0.00 WT3 H ATOM 45901 OH2 TIP3 7942 -2.059 -0.745 3.823 1.00 0.00 WT3 O ATOM 45902 H1 TIP3 7942 -8.396 -5.805 4.431 1.00 0.00 WT3 H ATOM 45903 H2 TIP3 7942 6.439 11.271 6.052 1.00 0.00 WT3 H ATOM 45904 OH2 TIP3 7943 -1.143 -4.134 -6.238 1.00 0.00 WT3 O ATOM 45905 H1 TIP3 7943 -7.653 17.385 -12.544 1.00 0.00 WT3 H ATOM 45906 H2 TIP3 7943 27.476 -13.430 -17.059 1.00 0.00 WT3 H ATOM 45907 OH2 TIP3 7945 0.809 1.851 -2.237 1.00 0.00 WT3 O ATOM 45908 H1 TIP3 7945 -12.794 3.105 -11.374 1.00 0.00 WT3 H ATOM 45909 H2 TIP3 7945 9.612 16.029 -8.697 1.00 0.00 WT3 H ATOM 45910 OH2 TIP3 7947 -0.964 0.041 0.314 1.00 0.00 WT3 O ATOM 45911 H1 TIP3 7947 0.334 8.306 6.250 1.00 0.00 WT3 H ATOM 45912 H2 TIP3 7947 -6.592 -15.779 -8.234 1.00 0.00 WT3 H ATOM 45913 OH2 TIP3 7948 -2.040 2.696 3.115 1.00 0.00 WT3 O ATOM 45914 H1 TIP3 7948 4.644 6.474 3.445 1.00 0.00 WT3 H ATOM 45915 H2 TIP3 7948 -14.558 -3.608 2.177 1.00 0.00 WT3 H ATOM 45916 OH2 TIP3 7949 -3.748 0.689 1.623 1.00 0.00 WT3 O ATOM 45917 H1 TIP3 7949 -11.010 -1.641 10.000 1.00 0.00 WT3 H ATOM 45918 H2 TIP3 7949 6.781 3.869 -8.197 1.00 0.00 WT3 H ATOM 45919 OH2 TIP3 7950 -0.040 -2.443 -1.831 1.00 0.00 WT3 O ATOM 45920 H1 TIP3 7950 -14.813 -8.017 8.818 1.00 0.00 WT3 H ATOM 45921 H2 TIP3 7950 -9.020 -9.947 -3.293 1.00 0.00 WT3 H ATOM 45922 OH2 TIP3 7951 3.720 -2.003 -0.240 1.00 0.00 WT3 O ATOM 45923 H1 TIP3 7951 19.587 1.781 5.730 1.00 0.00 WT3 H ATOM 45924 H2 TIP3 7951 7.787 -1.224 2.730 1.00 0.00 WT3 H ATOM 45925 OH2 TIP3 7952 4.556 1.329 -6.093 1.00 0.00 WT3 O ATOM 45926 H1 TIP3 7952 9.103 -4.194 6.279 1.00 0.00 WT3 H ATOM 45927 H2 TIP3 7952 -3.297 -1.411 -0.952 1.00 0.00 WT3 H ATOM 45928 OH2 TIP3 7953 9.674 1.511 -1.508 1.00 0.00 WT3 O ATOM 45929 H1 TIP3 7953 -13.190 -2.033 0.099 1.00 0.00 WT3 H ATOM 45930 H2 TIP3 7953 2.642 10.850 15.968 1.00 0.00 WT3 H ATOM 45931 OH2 TIP3 7955 1.241 2.976 -1.296 1.00 0.00 WT3 O ATOM 45932 H1 TIP3 7955 -22.157 -9.331 -7.894 1.00 0.00 WT3 H ATOM 45933 H2 TIP3 7955 22.900 12.777 -5.583 1.00 0.00 WT3 H ATOM 45934 OH2 TIP3 7957 -7.173 1.461 10.308 1.00 0.00 WT3 O ATOM 45935 H1 TIP3 7957 -5.850 6.244 8.001 1.00 0.00 WT3 H ATOM 45936 H2 TIP3 7957 -8.173 -2.532 10.379 1.00 0.00 WT3 H ATOM 45937 OH2 TIP3 7958 -3.631 1.666 -2.301 1.00 0.00 WT3 O ATOM 45938 H1 TIP3 7958 -18.963 -8.685 -20.073 1.00 0.00 WT3 H ATOM 45939 H2 TIP3 7958 -6.560 19.572 2.663 1.00 0.00 WT3 H ATOM 45940 OH2 TIP3 7960 -2.029 -4.739 6.035 1.00 0.00 WT3 O ATOM 45941 H1 TIP3 7960 -3.501 -21.409 2.895 1.00 0.00 WT3 H ATOM 45942 H2 TIP3 7960 10.161 -2.886 13.818 1.00 0.00 WT3 H ATOM 45943 OH2 TIP3 7961 0.304 1.953 3.072 1.00 0.00 WT3 O ATOM 45944 H1 TIP3 7961 -28.806 8.308 9.299 1.00 0.00 WT3 H ATOM 45945 H2 TIP3 7961 1.621 -0.699 17.200 1.00 0.00 WT3 H ATOM 45946 OH2 TIP3 7962 1.517 4.540 3.098 1.00 0.00 WT3 O ATOM 45947 H1 TIP3 7962 13.513 -2.167 -2.854 1.00 0.00 WT3 H ATOM 45948 H2 TIP3 7962 -10.010 -0.254 7.673 1.00 0.00 WT3 H ATOM 45949 OH2 TIP3 7963 3.898 2.667 -1.438 1.00 0.00 WT3 O ATOM 45950 H1 TIP3 7963 10.988 -1.303 -0.179 1.00 0.00 WT3 H ATOM 45951 H2 TIP3 7963 -7.847 8.258 -5.379 1.00 0.00 WT3 H ATOM 45952 OH2 TIP3 7964 2.299 -2.223 4.118 1.00 0.00 WT3 O ATOM 45953 H1 TIP3 7964 -0.177 -0.731 7.070 1.00 0.00 WT3 H ATOM 45954 H2 TIP3 7964 -0.463 -5.318 2.665 1.00 0.00 WT3 H ATOM 45955 OH2 TIP3 7965 -0.085 -2.101 8.120 1.00 0.00 WT3 O ATOM 45956 H1 TIP3 7965 1.550 -0.064 2.143 1.00 0.00 WT3 H ATOM 45957 H2 TIP3 7965 30.194 5.003 10.209 1.00 0.00 WT3 H ATOM 45958 OH2 TIP3 7966 -0.540 -4.062 2.839 1.00 0.00 WT3 O ATOM 45959 H1 TIP3 7966 1.757 0.578 -8.296 1.00 0.00 WT3 H ATOM 45960 H2 TIP3 7966 -2.563 -8.264 -1.901 1.00 0.00 WT3 H ATOM 45961 OH2 TIP3 7967 3.878 -6.378 3.527 1.00 0.00 WT3 O ATOM 45962 H1 TIP3 7967 -18.143 -15.671 -2.939 1.00 0.00 WT3 H ATOM 45963 H2 TIP3 7967 -14.749 14.736 -11.530 1.00 0.00 WT3 H ATOM 45964 OH2 TIP3 7969 3.180 0.640 -1.544 1.00 0.00 WT3 O ATOM 45965 H1 TIP3 7969 -12.997 10.312 3.727 1.00 0.00 WT3 H ATOM 45966 H2 TIP3 7969 -7.744 14.678 23.264 1.00 0.00 WT3 H ATOM 45967 OH2 TIP3 7970 -7.178 4.761 -2.010 1.00 0.00 WT3 O ATOM 45968 H1 TIP3 7970 -3.376 -2.494 0.454 1.00 0.00 WT3 H ATOM 45969 H2 TIP3 7970 -6.790 -20.966 7.512 1.00 0.00 WT3 H ATOM 45970 OH2 TIP3 7973 3.292 1.139 -0.178 1.00 0.00 WT3 O ATOM 45971 H1 TIP3 7973 8.345 -13.536 1.027 1.00 0.00 WT3 H ATOM 45972 H2 TIP3 7973 4.854 7.143 -17.605 1.00 0.00 WT3 H ATOM 45973 OH2 TIP3 7974 -4.505 1.802 1.211 1.00 0.00 WT3 O ATOM 45974 H1 TIP3 7974 -8.512 -13.807 -11.782 1.00 0.00 WT3 H ATOM 45975 H2 TIP3 7974 -6.938 3.874 -19.247 1.00 0.00 WT3 H ATOM 45976 OH2 TIP3 7976 0.424 -0.526 2.091 1.00 0.00 WT3 O ATOM 45977 H1 TIP3 7976 6.278 18.068 9.837 1.00 0.00 WT3 H ATOM 45978 H2 TIP3 7976 -18.069 5.093 -12.312 1.00 0.00 WT3 H ATOM 45979 OH2 TIP3 7978 -7.359 1.208 -7.001 1.00 0.00 WT3 O ATOM 45980 H1 TIP3 7978 -6.707 -11.512 5.343 1.00 0.00 WT3 H ATOM 45981 H2 TIP3 7978 -8.887 2.735 -0.251 1.00 0.00 WT3 H ATOM 45982 OH2 TIP3 7980 -1.073 8.394 -1.930 1.00 0.00 WT3 O ATOM 45983 H1 TIP3 7980 0.346 5.128 -2.875 1.00 0.00 WT3 H ATOM 45984 H2 TIP3 7980 -2.524 5.639 0.997 1.00 0.00 WT3 H ATOM 45985 OH2 TIP3 7981 5.056 -0.437 -4.928 1.00 0.00 WT3 O ATOM 45986 H1 TIP3 7981 1.468 21.928 8.865 1.00 0.00 WT3 H ATOM 45987 H2 TIP3 7981 -2.332 16.882 4.972 1.00 0.00 WT3 H ATOM 45988 OH2 TIP3 7982 1.407 3.245 -0.267 1.00 0.00 WT3 O ATOM 45989 H1 TIP3 7982 -1.698 -9.582 3.355 1.00 0.00 WT3 H ATOM 45990 H2 TIP3 7982 -0.709 7.289 -5.226 1.00 0.00 WT3 H ATOM 45991 OH2 TIP3 7983 -1.945 5.336 -0.018 1.00 0.00 WT3 O ATOM 45992 H1 TIP3 7983 -21.450 17.507 18.471 1.00 0.00 WT3 H ATOM 45993 H2 TIP3 7983 -7.448 8.201 3.599 1.00 0.00 WT3 H ATOM 45994 OH2 TIP3 7984 2.005 -2.436 -2.698 1.00 0.00 WT3 O ATOM 45995 H1 TIP3 7984 19.550 9.465 -3.109 1.00 0.00 WT3 H ATOM 45996 H2 TIP3 7984 -19.382 -6.876 -3.416 1.00 0.00 WT3 H ATOM 45997 OH2 TIP3 7985 -3.349 5.793 1.128 1.00 0.00 WT3 O ATOM 45998 H1 TIP3 7985 -3.312 -4.454 2.484 1.00 0.00 WT3 H ATOM 45999 H2 TIP3 7985 12.113 8.820 -10.327 1.00 0.00 WT3 H ATOM 46000 OH2 TIP3 7986 -0.827 -4.537 -2.071 1.00 0.00 WT3 O ATOM 46001 H1 TIP3 7986 21.463 -20.469 10.951 1.00 0.00 WT3 H ATOM 46002 H2 TIP3 7986 14.137 -13.665 -4.337 1.00 0.00 WT3 H ATOM 46003 OH2 TIP3 7987 9.299 2.162 -8.277 1.00 0.00 WT3 O ATOM 46004 H1 TIP3 7987 6.567 -0.484 -14.746 1.00 0.00 WT3 H ATOM 46005 H2 TIP3 7987 7.164 2.312 -7.650 1.00 0.00 WT3 H ATOM 46006 OH2 TIP3 7988 -3.338 0.128 -1.045 1.00 0.00 WT3 O ATOM 46007 H1 TIP3 7988 -9.204 5.161 7.615 1.00 0.00 WT3 H ATOM 46008 H2 TIP3 7988 15.111 -11.425 -12.802 1.00 0.00 WT3 H ATOM 46009 OH2 TIP3 7989 0.712 3.432 -3.279 1.00 0.00 WT3 O ATOM 46010 H1 TIP3 7989 -1.062 8.524 -10.455 1.00 0.00 WT3 H ATOM 46011 H2 TIP3 7989 -5.586 -5.450 -3.011 1.00 0.00 WT3 H ATOM 46012 OH2 TIP3 7990 5.646 -2.289 -5.517 1.00 0.00 WT3 O ATOM 46013 H1 TIP3 7990 7.177 -15.997 -0.578 1.00 0.00 WT3 H ATOM 46014 H2 TIP3 7990 1.576 12.945 9.456 1.00 0.00 WT3 H ATOM 46015 OH2 TIP3 7991 -1.329 -1.977 -2.401 1.00 0.00 WT3 O ATOM 46016 H1 TIP3 7991 25.376 1.397 25.341 1.00 0.00 WT3 H ATOM 46017 H2 TIP3 7991 -11.481 -3.652 -12.844 1.00 0.00 WT3 H ATOM 46018 OH2 TIP3 7992 -6.512 5.302 2.479 1.00 0.00 WT3 O ATOM 46019 H1 TIP3 7992 -11.642 5.035 19.080 1.00 0.00 WT3 H ATOM 46020 H2 TIP3 7992 -4.349 9.447 -15.050 1.00 0.00 WT3 H ATOM 46021 OH2 TIP3 7993 -1.357 -8.905 -2.601 1.00 0.00 WT3 O ATOM 46022 H1 TIP3 7993 7.519 36.195 -22.115 1.00 0.00 WT3 H ATOM 46023 H2 TIP3 7993 -0.143 -17.390 5.106 1.00 0.00 WT3 H ATOM 46024 OH2 TIP3 7995 0.152 2.590 6.877 1.00 0.00 WT3 O ATOM 46025 H1 TIP3 7995 14.295 -1.735 2.551 1.00 0.00 WT3 H ATOM 46026 H2 TIP3 7995 -7.399 14.904 3.749 1.00 0.00 WT3 H ATOM 46027 OH2 TIP3 7996 3.876 -1.863 -1.320 1.00 0.00 WT3 O ATOM 46028 H1 TIP3 7996 6.711 -5.813 -10.493 1.00 0.00 WT3 H ATOM 46029 H2 TIP3 7996 -5.660 -4.723 20.082 1.00 0.00 WT3 H ATOM 46030 OH2 TIP3 7997 -2.250 3.047 1.888 1.00 0.00 WT3 O ATOM 46031 H1 TIP3 7997 -2.092 7.070 0.393 1.00 0.00 WT3 H ATOM 46032 H2 TIP3 7997 -2.519 -0.428 -2.437 1.00 0.00 WT3 H ATOM 46033 OH2 TIP3 7999 2.030 1.473 0.463 1.00 0.00 WT3 O ATOM 46034 H1 TIP3 7999 23.690 -8.158 22.222 1.00 0.00 WT3 H ATOM 46035 H2 TIP3 7999 4.800 2.574 -5.724 1.00 0.00 WT3 H ATOM 46036 OH2 TIP3 8001 1.511 3.360 1.846 1.00 0.00 WT3 O ATOM 46037 H1 TIP3 8001 -15.293 3.699 6.843 1.00 0.00 WT3 H ATOM 46038 H2 TIP3 8001 0.794 22.270 4.628 1.00 0.00 WT3 H ATOM 46039 OH2 TIP3 8002 -7.126 2.448 0.896 1.00 0.00 WT3 O ATOM 46040 H1 TIP3 8002 0.970 -5.518 -13.919 1.00 0.00 WT3 H ATOM 46041 H2 TIP3 8002 22.559 -24.671 11.459 1.00 0.00 WT3 H ATOM 46042 OH2 TIP3 8003 7.103 -7.519 -5.182 1.00 0.00 WT3 O ATOM 46043 H1 TIP3 8003 -6.447 1.201 7.719 1.00 0.00 WT3 H ATOM 46044 H2 TIP3 8003 17.045 4.094 11.213 1.00 0.00 WT3 H ATOM 46045 OH2 TIP3 8004 -2.892 -4.361 -3.727 1.00 0.00 WT3 O ATOM 46046 H1 TIP3 8004 -6.514 -24.852 14.124 1.00 0.00 WT3 H ATOM 46047 H2 TIP3 8004 2.986 16.706 13.208 1.00 0.00 WT3 H ATOM 46048 OH2 TIP3 8005 3.087 -5.106 0.296 1.00 0.00 WT3 O ATOM 46049 H1 TIP3 8005 12.921 -4.273 11.046 1.00 0.00 WT3 H ATOM 46050 H2 TIP3 8005 -0.396 10.360 0.351 1.00 0.00 WT3 H ATOM 46051 OH2 TIP3 8006 -2.579 4.265 -2.827 1.00 0.00 WT3 O ATOM 46052 H1 TIP3 8006 -16.561 12.845 -0.127 1.00 0.00 WT3 H ATOM 46053 H2 TIP3 8006 18.311 -1.936 -9.358 1.00 0.00 WT3 H ATOM 46054 OH2 TIP3 8007 2.131 -4.103 2.982 1.00 0.00 WT3 O ATOM 46055 H1 TIP3 8007 27.010 -8.184 11.803 1.00 0.00 WT3 H ATOM 46056 H2 TIP3 8007 -11.504 16.392 9.433 1.00 0.00 WT3 H ATOM 46057 OH2 TIP3 8008 -0.435 7.644 5.031 1.00 0.00 WT3 O ATOM 46058 H1 TIP3 8008 -13.248 13.651 -13.294 1.00 0.00 WT3 H ATOM 46059 H2 TIP3 8008 -7.246 -16.573 1.883 1.00 0.00 WT3 H ATOM 46060 OH2 TIP3 8009 0.579 -2.983 3.392 1.00 0.00 WT3 O ATOM 46061 H1 TIP3 8009 -7.886 -4.878 -2.435 1.00 0.00 WT3 H ATOM 46062 H2 TIP3 8009 5.833 -14.254 13.794 1.00 0.00 WT3 H ATOM 46063 OH2 TIP3 8011 -4.431 11.707 -5.622 1.00 0.00 WT3 O ATOM 46064 H1 TIP3 8011 -30.228 1.618 1.595 1.00 0.00 WT3 H ATOM 46065 H2 TIP3 8011 -9.417 4.398 -30.912 1.00 0.00 WT3 H ATOM 46066 OH2 TIP3 8013 3.460 0.370 4.549 1.00 0.00 WT3 O ATOM 46067 H1 TIP3 8013 6.404 -1.665 -4.698 1.00 0.00 WT3 H ATOM 46068 H2 TIP3 8013 9.622 -6.505 -9.664 1.00 0.00 WT3 H ATOM 46069 OH2 TIP3 8014 -3.831 5.063 3.745 1.00 0.00 WT3 O ATOM 46070 H1 TIP3 8014 -11.794 -9.659 10.006 1.00 0.00 WT3 H ATOM 46071 H2 TIP3 8014 -9.108 6.992 -6.841 1.00 0.00 WT3 H ATOM 46072 OH2 TIP3 8016 5.051 5.025 4.603 1.00 0.00 WT3 O ATOM 46073 H1 TIP3 8016 18.728 2.620 -0.506 1.00 0.00 WT3 H ATOM 46074 H2 TIP3 8016 -28.535 10.448 23.625 1.00 0.00 WT3 H ATOM 46075 OH2 TIP3 8017 -1.349 -2.637 -4.057 1.00 0.00 WT3 O ATOM 46076 H1 TIP3 8017 1.682 -9.254 -11.639 1.00 0.00 WT3 H ATOM 46077 H2 TIP3 8017 -21.121 3.406 0.519 1.00 0.00 WT3 H ATOM 46078 OH2 TIP3 8018 -2.341 -0.953 1.512 1.00 0.00 WT3 O ATOM 46079 H1 TIP3 8018 2.237 -3.553 -2.066 1.00 0.00 WT3 H ATOM 46080 H2 TIP3 8018 -24.007 0.858 4.661 1.00 0.00 WT3 H ATOM 46081 OH2 TIP3 8019 3.173 -2.167 -3.247 1.00 0.00 WT3 O ATOM 46082 H1 TIP3 8019 -4.401 -13.648 -9.113 1.00 0.00 WT3 H ATOM 46083 H2 TIP3 8019 -2.374 -9.832 8.958 1.00 0.00 WT3 H ATOM 46084 OH2 TIP3 8022 -2.388 1.643 0.185 1.00 0.00 WT3 O ATOM 46085 H1 TIP3 8022 -1.416 -8.746 -0.563 1.00 0.00 WT3 H ATOM 46086 H2 TIP3 8022 -3.013 14.478 -2.361 1.00 0.00 WT3 H ATOM 46087 OH2 TIP3 8023 3.198 -0.316 -4.523 1.00 0.00 WT3 O ATOM 46088 H1 TIP3 8023 -9.318 1.113 6.259 1.00 0.00 WT3 H ATOM 46089 H2 TIP3 8023 0.541 -10.336 1.553 1.00 0.00 WT3 H ATOM 46090 OH2 TIP3 8024 0.355 1.655 2.214 1.00 0.00 WT3 O ATOM 46091 H1 TIP3 8024 -3.130 11.091 4.556 1.00 0.00 WT3 H ATOM 46092 H2 TIP3 8024 7.390 -27.822 6.972 1.00 0.00 WT3 H ATOM 46093 OH2 TIP3 8025 -1.775 -3.838 2.322 1.00 0.00 WT3 O ATOM 46094 H1 TIP3 8025 5.563 -5.901 7.468 1.00 0.00 WT3 H ATOM 46095 H2 TIP3 8025 6.849 5.173 28.768 1.00 0.00 WT3 H ATOM 46096 OH2 TIP3 8026 0.703 3.651 6.336 1.00 0.00 WT3 O ATOM 46097 H1 TIP3 8026 7.714 11.468 -5.917 1.00 0.00 WT3 H ATOM 46098 H2 TIP3 8026 -5.491 2.536 3.168 1.00 0.00 WT3 H ATOM 46099 OH2 TIP3 8027 -0.573 -4.686 -0.417 1.00 0.00 WT3 O ATOM 46100 H1 TIP3 8027 -22.508 -12.579 5.346 1.00 0.00 WT3 H ATOM 46101 H2 TIP3 8027 -1.647 18.858 3.136 1.00 0.00 WT3 H ATOM 46102 OH2 TIP3 8028 -0.825 -4.168 -2.032 1.00 0.00 WT3 O ATOM 46103 H1 TIP3 8028 -1.289 -14.970 -9.778 1.00 0.00 WT3 H ATOM 46104 H2 TIP3 8028 0.400 6.846 4.457 1.00 0.00 WT3 H ATOM 46105 OH2 TIP3 8029 -4.401 1.766 0.387 1.00 0.00 WT3 O ATOM 46106 H1 TIP3 8029 -10.230 7.609 -5.080 1.00 0.00 WT3 H ATOM 46107 H2 TIP3 8029 5.238 10.150 7.995 1.00 0.00 WT3 H ATOM 46108 OH2 TIP3 8030 -1.601 2.551 5.540 1.00 0.00 WT3 O ATOM 46109 H1 TIP3 8030 -5.468 -2.328 3.700 1.00 0.00 WT3 H ATOM 46110 H2 TIP3 8030 -1.792 1.954 1.178 1.00 0.00 WT3 H ATOM 46111 OH2 TIP3 8032 -0.370 -5.896 -1.178 1.00 0.00 WT3 O ATOM 46112 H1 TIP3 8032 -0.168 6.323 10.287 1.00 0.00 WT3 H ATOM 46113 H2 TIP3 8032 -11.488 -14.691 -5.124 1.00 0.00 WT3 H ATOM 46114 OH2 TIP3 8034 2.489 0.228 1.683 1.00 0.00 WT3 O ATOM 46115 H1 TIP3 8034 -0.338 -13.867 1.782 1.00 0.00 WT3 H ATOM 46116 H2 TIP3 8034 1.228 3.200 13.405 1.00 0.00 WT3 H ATOM 46117 OH2 TIP3 8035 2.658 -1.274 -8.263 1.00 0.00 WT3 O ATOM 46118 H1 TIP3 8035 7.785 -11.550 -3.484 1.00 0.00 WT3 H ATOM 46119 H2 TIP3 8035 1.640 -33.336 11.230 1.00 0.00 WT3 H ATOM 46120 OH2 TIP3 8036 0.194 -0.368 -3.418 1.00 0.00 WT3 O ATOM 46121 H1 TIP3 8036 -8.973 -7.753 -18.962 1.00 0.00 WT3 H ATOM 46122 H2 TIP3 8036 21.228 -2.121 -5.975 1.00 0.00 WT3 H ATOM 46123 OH2 TIP3 8037 2.674 5.698 -2.833 1.00 0.00 WT3 O ATOM 46124 H1 TIP3 8037 2.952 10.877 0.683 1.00 0.00 WT3 H ATOM 46125 H2 TIP3 8037 -11.947 -13.954 -16.534 1.00 0.00 WT3 H ATOM 46126 OH2 TIP3 8038 1.981 4.630 3.164 1.00 0.00 WT3 O ATOM 46127 H1 TIP3 8038 4.178 -5.376 -4.182 1.00 0.00 WT3 H ATOM 46128 H2 TIP3 8038 7.087 17.008 -6.163 1.00 0.00 WT3 H ATOM 46129 OH2 TIP3 8039 -0.654 2.428 -5.194 1.00 0.00 WT3 O ATOM 46130 H1 TIP3 8039 -2.947 6.275 -8.934 1.00 0.00 WT3 H ATOM 46131 H2 TIP3 8039 -0.943 10.563 4.316 1.00 0.00 WT3 H ATOM 46132 OH2 TIP3 8040 -2.767 1.063 -1.368 1.00 0.00 WT3 O ATOM 46133 H1 TIP3 8040 -7.292 -11.005 3.150 1.00 0.00 WT3 H ATOM 46134 H2 TIP3 8040 -2.565 -6.037 -1.432 1.00 0.00 WT3 H ATOM 46135 OH2 TIP3 8041 -0.901 5.768 3.549 1.00 0.00 WT3 O ATOM 46136 H1 TIP3 8041 -1.386 -4.964 -4.059 1.00 0.00 WT3 H ATOM 46137 H2 TIP3 8041 -5.723 -32.782 -13.679 1.00 0.00 WT3 H ATOM 46138 OH2 TIP3 8042 -0.252 -3.043 -0.027 1.00 0.00 WT3 O ATOM 46139 H1 TIP3 8042 -8.638 -1.056 4.157 1.00 0.00 WT3 H ATOM 46140 H2 TIP3 8042 -9.165 17.468 2.944 1.00 0.00 WT3 H ATOM 46141 OH2 TIP3 8043 -4.131 -3.139 1.558 1.00 0.00 WT3 O ATOM 46142 H1 TIP3 8043 5.516 2.298 -2.663 1.00 0.00 WT3 H ATOM 46143 H2 TIP3 8043 -10.636 10.767 -0.535 1.00 0.00 WT3 H ATOM 46144 OH2 TIP3 8045 -3.413 -7.174 -4.792 1.00 0.00 WT3 O ATOM 46145 H1 TIP3 8045 -3.571 -8.002 -3.468 1.00 0.00 WT3 H ATOM 46146 H2 TIP3 8045 -15.472 -0.426 -6.039 1.00 0.00 WT3 H ATOM 46147 OH2 TIP3 8046 3.412 -0.554 -1.550 1.00 0.00 WT3 O ATOM 46148 H1 TIP3 8046 -1.609 -8.706 -6.644 1.00 0.00 WT3 H ATOM 46149 H2 TIP3 8046 8.640 7.048 11.059 1.00 0.00 WT3 H ATOM 46150 OH2 TIP3 8047 -5.572 -2.535 2.052 1.00 0.00 WT3 O ATOM 46151 H1 TIP3 8047 -28.339 -16.481 7.739 1.00 0.00 WT3 H ATOM 46152 H2 TIP3 8047 10.578 0.615 27.374 1.00 0.00 WT3 H ATOM 46153 OH2 TIP3 8049 2.446 3.497 7.892 1.00 0.00 WT3 O ATOM 46154 H1 TIP3 8049 7.660 -12.385 18.419 1.00 0.00 WT3 H ATOM 46155 H2 TIP3 8049 -5.413 2.127 -21.403 1.00 0.00 WT3 H ATOM 46156 OH2 TIP3 8051 -4.707 5.095 -2.883 1.00 0.00 WT3 O ATOM 46157 H1 TIP3 8051 7.241 -18.489 -14.072 1.00 0.00 WT3 H ATOM 46158 H2 TIP3 8051 6.071 18.588 3.949 1.00 0.00 WT3 H ATOM 46159 OH2 TIP3 8052 -4.756 -12.772 -2.955 1.00 0.00 WT3 O ATOM 46160 H1 TIP3 8052 3.010 -19.315 33.094 1.00 0.00 WT3 H ATOM 46161 H2 TIP3 8052 -2.554 -8.701 6.076 1.00 0.00 WT3 H ATOM 46162 OH2 TIP3 8053 9.886 3.149 -5.467 1.00 0.00 WT3 O ATOM 46163 H1 TIP3 8053 8.369 -19.312 -23.115 1.00 0.00 WT3 H ATOM 46164 H2 TIP3 8053 13.156 16.739 -12.167 1.00 0.00 WT3 H ATOM 46165 OH2 TIP3 8054 -0.654 -1.528 2.175 1.00 0.00 WT3 O ATOM 46166 H1 TIP3 8054 0.716 -9.770 -12.550 1.00 0.00 WT3 H ATOM 46167 H2 TIP3 8054 15.867 -14.017 15.904 1.00 0.00 WT3 H ATOM 46168 OH2 TIP3 8055 4.650 -1.033 2.135 1.00 0.00 WT3 O ATOM 46169 H1 TIP3 8055 9.186 1.804 6.707 1.00 0.00 WT3 H ATOM 46170 H2 TIP3 8055 -1.693 -8.036 -5.221 1.00 0.00 WT3 H ATOM 46171 OH2 TIP3 8056 4.299 -6.475 -1.271 1.00 0.00 WT3 O ATOM 46172 H1 TIP3 8056 24.762 10.813 -3.859 1.00 0.00 WT3 H ATOM 46173 H2 TIP3 8056 17.717 -7.381 9.318 1.00 0.00 WT3 H ATOM 46174 OH2 TIP3 8057 -3.622 -1.867 2.118 1.00 0.00 WT3 O ATOM 46175 H1 TIP3 8057 -6.899 -1.987 9.310 1.00 0.00 WT3 H ATOM 46176 H2 TIP3 8057 -6.936 -1.106 7.061 1.00 0.00 WT3 H ATOM 46177 OH2 TIP3 8058 -4.979 1.263 -2.981 1.00 0.00 WT3 O ATOM 46178 H1 TIP3 8058 -2.397 -4.657 -2.007 1.00 0.00 WT3 H ATOM 46179 H2 TIP3 8058 -7.636 4.865 8.488 1.00 0.00 WT3 H ATOM 46180 OH2 TIP3 8059 4.063 5.039 -1.638 1.00 0.00 WT3 O ATOM 46181 H1 TIP3 8059 -0.999 -1.251 0.477 1.00 0.00 WT3 H ATOM 46182 H2 TIP3 8059 2.164 2.504 -2.030 1.00 0.00 WT3 H ATOM 46183 OH2 TIP3 8060 -0.078 -4.802 2.639 1.00 0.00 WT3 O ATOM 46184 H1 TIP3 8060 -0.091 -16.063 3.400 1.00 0.00 WT3 H ATOM 46185 H2 TIP3 8060 2.573 -8.189 -1.432 1.00 0.00 WT3 H ATOM 46186 OH2 TIP3 8061 2.462 3.347 0.519 1.00 0.00 WT3 O ATOM 46187 H1 TIP3 8061 23.209 7.157 -3.415 1.00 0.00 WT3 H ATOM 46188 H2 TIP3 8061 6.788 -9.491 -23.371 1.00 0.00 WT3 H ATOM 46189 OH2 TIP3 8062 1.186 4.987 -1.892 1.00 0.00 WT3 O ATOM 46190 H1 TIP3 8062 4.023 21.389 -2.396 1.00 0.00 WT3 H ATOM 46191 H2 TIP3 8062 28.420 -4.057 -14.961 1.00 0.00 WT3 H ATOM 46192 OH2 TIP3 8063 6.310 0.276 -3.949 1.00 0.00 WT3 O ATOM 46193 H1 TIP3 8063 5.223 -10.607 10.738 1.00 0.00 WT3 H ATOM 46194 H2 TIP3 8063 5.964 -4.389 4.457 1.00 0.00 WT3 H ATOM 46195 OH2 TIP3 8064 -1.776 -5.424 3.332 1.00 0.00 WT3 O ATOM 46196 H1 TIP3 8064 -2.983 8.450 6.192 1.00 0.00 WT3 H ATOM 46197 H2 TIP3 8064 -14.733 -7.581 13.031 1.00 0.00 WT3 H ATOM 46198 OH2 TIP3 8065 2.869 -3.243 -2.352 1.00 0.00 WT3 O ATOM 46199 H1 TIP3 8065 24.784 -16.819 1.341 1.00 0.00 WT3 H ATOM 46200 H2 TIP3 8065 -23.251 -10.344 4.413 1.00 0.00 WT3 H ATOM 46201 OH2 TIP3 8066 -4.533 2.056 -7.382 1.00 0.00 WT3 O ATOM 46202 H1 TIP3 8066 -14.610 9.725 -10.766 1.00 0.00 WT3 H ATOM 46203 H2 TIP3 8066 6.647 -2.687 -5.779 1.00 0.00 WT3 H ATOM 46204 OH2 TIP3 8067 -1.506 0.921 6.633 1.00 0.00 WT3 O ATOM 46205 H1 TIP3 8067 9.556 7.886 9.706 1.00 0.00 WT3 H ATOM 46206 H2 TIP3 8067 -17.475 1.543 1.434 1.00 0.00 WT3 H ATOM 46207 OH2 TIP3 8068 10.942 3.721 -10.085 1.00 0.00 WT3 O ATOM 46208 H1 TIP3 8068 19.101 -4.184 19.430 1.00 0.00 WT3 H ATOM 46209 H2 TIP3 8068 -6.373 -31.869 -33.970 1.00 0.00 WT3 H ATOM 46210 OH2 TIP3 8069 -1.668 -0.519 -1.673 1.00 0.00 WT3 O ATOM 46211 H1 TIP3 8069 -0.371 5.864 1.289 1.00 0.00 WT3 H ATOM 46212 H2 TIP3 8069 -12.690 -4.181 6.293 1.00 0.00 WT3 H ATOM 46213 OH2 TIP3 8070 3.416 -1.561 2.761 1.00 0.00 WT3 O ATOM 46214 H1 TIP3 8070 5.478 -1.268 -6.346 1.00 0.00 WT3 H ATOM 46215 H2 TIP3 8070 -0.924 -6.042 -5.976 1.00 0.00 WT3 H ATOM 46216 OH2 TIP3 8071 -1.372 -2.059 0.266 1.00 0.00 WT3 O ATOM 46217 H1 TIP3 8071 1.544 -5.066 -0.939 1.00 0.00 WT3 H ATOM 46218 H2 TIP3 8071 25.689 -28.954 27.036 1.00 0.00 WT3 H ATOM 46219 OH2 TIP3 8073 7.778 3.027 3.254 1.00 0.00 WT3 O ATOM 46220 H1 TIP3 8073 -9.089 -3.599 -1.862 1.00 0.00 WT3 H ATOM 46221 H2 TIP3 8073 10.805 13.852 -8.337 1.00 0.00 WT3 H ATOM 46222 OH2 TIP3 8074 0.799 1.189 -1.676 1.00 0.00 WT3 O ATOM 46223 H1 TIP3 8074 2.779 -4.658 -5.699 1.00 0.00 WT3 H ATOM 46224 H2 TIP3 8074 0.278 8.263 -6.415 1.00 0.00 WT3 H ATOM 46225 OH2 TIP3 8075 1.611 -3.684 6.995 1.00 0.00 WT3 O ATOM 46226 H1 TIP3 8075 7.455 -11.285 8.083 1.00 0.00 WT3 H ATOM 46227 H2 TIP3 8075 1.570 2.319 8.109 1.00 0.00 WT3 H ATOM 46228 OH2 TIP3 8076 1.511 1.072 1.467 1.00 0.00 WT3 O ATOM 46229 H1 TIP3 8076 -15.324 -3.831 11.273 1.00 0.00 WT3 H ATOM 46230 H2 TIP3 8076 -0.685 2.349 3.080 1.00 0.00 WT3 H ATOM 46231 OH2 TIP3 8077 -6.308 -2.354 -1.840 1.00 0.00 WT3 O ATOM 46232 H1 TIP3 8077 7.510 6.452 12.501 1.00 0.00 WT3 H ATOM 46233 H2 TIP3 8077 21.379 16.010 1.687 1.00 0.00 WT3 H ATOM 46234 OH2 TIP3 8079 -0.438 2.062 -3.450 1.00 0.00 WT3 O ATOM 46235 H1 TIP3 8079 -11.245 13.057 0.825 1.00 0.00 WT3 H ATOM 46236 H2 TIP3 8079 4.974 -4.358 -5.727 1.00 0.00 WT3 H ATOM 46237 OH2 TIP3 8080 -0.481 -1.049 -1.077 1.00 0.00 WT3 O ATOM 46238 H1 TIP3 8080 -1.934 7.537 3.023 1.00 0.00 WT3 H ATOM 46239 H2 TIP3 8080 2.251 5.806 2.059 1.00 0.00 WT3 H ATOM 46240 OH2 TIP3 8081 7.471 -4.205 -0.535 1.00 0.00 WT3 O ATOM 46241 H1 TIP3 8081 22.958 -2.750 4.122 1.00 0.00 WT3 H ATOM 46242 H2 TIP3 8081 -7.111 -3.161 -4.846 1.00 0.00 WT3 H ATOM 46243 OH2 TIP3 8082 1.352 -4.260 9.324 1.00 0.00 WT3 O ATOM 46244 H1 TIP3 8082 -1.111 -3.862 2.911 1.00 0.00 WT3 H ATOM 46245 H2 TIP3 8082 -12.816 11.855 8.555 1.00 0.00 WT3 H ATOM 46246 OH2 TIP3 8083 -4.052 13.901 -2.266 1.00 0.00 WT3 O ATOM 46247 H1 TIP3 8083 -25.358 1.541 2.286 1.00 0.00 WT3 H ATOM 46248 H2 TIP3 8083 7.746 14.685 11.946 1.00 0.00 WT3 H ATOM 46249 OH2 TIP3 8084 -3.121 -0.666 -4.291 1.00 0.00 WT3 O ATOM 46250 H1 TIP3 8084 -4.211 -5.657 -9.924 1.00 0.00 WT3 H ATOM 46251 H2 TIP3 8084 6.211 -9.426 -10.976 1.00 0.00 WT3 H ATOM 46252 OH2 TIP3 8085 5.163 -3.523 1.228 1.00 0.00 WT3 O ATOM 46253 H1 TIP3 8085 10.988 -0.246 21.827 1.00 0.00 WT3 H ATOM 46254 H2 TIP3 8085 -8.872 -15.537 6.112 1.00 0.00 WT3 H ATOM 46255 OH2 TIP3 8086 2.112 2.864 -4.311 1.00 0.00 WT3 O ATOM 46256 H1 TIP3 8086 -28.498 -6.274 -22.718 1.00 0.00 WT3 H ATOM 46257 H2 TIP3 8086 13.391 12.713 4.944 1.00 0.00 WT3 H ATOM 46258 OH2 TIP3 8087 5.514 -1.309 -1.092 1.00 0.00 WT3 O ATOM 46259 H1 TIP3 8087 0.142 -1.121 -1.975 1.00 0.00 WT3 H ATOM 46260 H2 TIP3 8087 6.482 -3.348 -14.547 1.00 0.00 WT3 H ATOM 46261 OH2 TIP3 8088 0.085 -5.076 -1.701 1.00 0.00 WT3 O ATOM 46262 H1 TIP3 8088 -12.818 15.426 -5.998 1.00 0.00 WT3 H ATOM 46263 H2 TIP3 8088 -3.400 -9.058 -1.079 1.00 0.00 WT3 H ATOM 46264 OH2 TIP3 8089 1.112 -3.933 2.845 1.00 0.00 WT3 O ATOM 46265 H1 TIP3 8089 -5.890 6.355 3.858 1.00 0.00 WT3 H ATOM 46266 H2 TIP3 8089 -6.441 -12.146 -1.638 1.00 0.00 WT3 H ATOM 46267 OH2 TIP3 8090 1.819 -0.311 4.558 1.00 0.00 WT3 O ATOM 46268 H1 TIP3 8090 9.796 11.411 4.732 1.00 0.00 WT3 H ATOM 46269 H2 TIP3 8090 18.364 17.199 5.518 1.00 0.00 WT3 H ATOM 46270 OH2 TIP3 8091 -4.169 -2.544 3.227 1.00 0.00 WT3 O ATOM 46271 H1 TIP3 8091 -7.468 5.137 10.913 1.00 0.00 WT3 H ATOM 46272 H2 TIP3 8091 -2.461 -8.587 -1.866 1.00 0.00 WT3 H ATOM 46273 OH2 TIP3 8092 3.371 -5.016 0.521 1.00 0.00 WT3 O ATOM 46274 H1 TIP3 8092 -1.671 -13.050 14.655 1.00 0.00 WT3 H ATOM 46275 H2 TIP3 8092 2.918 14.908 10.490 1.00 0.00 WT3 H ATOM 46276 OH2 TIP3 8093 -2.091 5.728 -3.675 1.00 0.00 WT3 O ATOM 46277 H1 TIP3 8093 -15.516 36.348 0.141 1.00 0.00 WT3 H ATOM 46278 H2 TIP3 8093 5.934 -16.405 2.270 1.00 0.00 WT3 H ATOM 46279 OH2 TIP3 8094 -1.188 -0.542 -9.213 1.00 0.00 WT3 O ATOM 46280 H1 TIP3 8094 -9.365 -21.246 -1.704 1.00 0.00 WT3 H ATOM 46281 H2 TIP3 8094 4.300 -20.790 -4.615 1.00 0.00 WT3 H ATOM 46282 OH2 TIP3 8095 2.611 -5.525 0.473 1.00 0.00 WT3 O ATOM 46283 H1 TIP3 8095 -2.015 1.731 -5.759 1.00 0.00 WT3 H ATOM 46284 H2 TIP3 8095 -9.666 -7.881 11.680 1.00 0.00 WT3 H ATOM 46285 OH2 TIP3 8096 8.345 -7.240 -2.962 1.00 0.00 WT3 O ATOM 46286 H1 TIP3 8096 4.030 -11.629 -18.732 1.00 0.00 WT3 H ATOM 46287 H2 TIP3 8096 -6.234 -1.474 23.393 1.00 0.00 WT3 H ATOM 46288 OH2 TIP3 8097 3.825 -1.696 1.427 1.00 0.00 WT3 O ATOM 46289 H1 TIP3 8097 12.216 14.107 8.880 1.00 0.00 WT3 H ATOM 46290 H2 TIP3 8097 13.686 -2.841 -9.311 1.00 0.00 WT3 H ATOM 46291 OH2 TIP3 8099 3.096 1.523 5.630 1.00 0.00 WT3 O ATOM 46292 H1 TIP3 8099 -7.007 -9.077 3.830 1.00 0.00 WT3 H ATOM 46293 H2 TIP3 8099 22.350 -16.049 -4.656 1.00 0.00 WT3 H ATOM 46294 OH2 TIP3 8100 -0.048 -1.361 1.412 1.00 0.00 WT3 O ATOM 46295 H1 TIP3 8100 -0.400 -0.065 0.820 1.00 0.00 WT3 H ATOM 46296 H2 TIP3 8100 -2.870 -0.536 -1.780 1.00 0.00 WT3 H ATOM 46297 OH2 TIP3 8101 4.022 -2.995 6.690 1.00 0.00 WT3 O ATOM 46298 H1 TIP3 8101 13.980 13.548 -0.116 1.00 0.00 WT3 H ATOM 46299 H2 TIP3 8101 -1.107 -10.568 10.768 1.00 0.00 WT3 H ATOM 46300 OH2 TIP3 8102 -1.712 -3.559 3.368 1.00 0.00 WT3 O ATOM 46301 H1 TIP3 8102 12.992 -16.809 -17.758 1.00 0.00 WT3 H ATOM 46302 H2 TIP3 8102 -9.204 -6.815 11.958 1.00 0.00 WT3 H ATOM 46303 OH2 TIP3 8103 2.013 0.484 0.622 1.00 0.00 WT3 O ATOM 46304 H1 TIP3 8103 -5.360 8.868 3.898 1.00 0.00 WT3 H ATOM 46305 H2 TIP3 8103 -14.431 3.738 7.604 1.00 0.00 WT3 H ATOM 46306 OH2 TIP3 8104 0.768 0.123 -2.110 1.00 0.00 WT3 O ATOM 46307 H1 TIP3 8104 4.380 -8.445 26.751 1.00 0.00 WT3 H ATOM 46308 H2 TIP3 8104 1.604 7.589 13.853 1.00 0.00 WT3 H ATOM 46309 OH2 TIP3 8105 1.571 -1.853 -5.497 1.00 0.00 WT3 O ATOM 46310 H1 TIP3 8105 -1.350 0.780 -7.198 1.00 0.00 WT3 H ATOM 46311 H2 TIP3 8105 4.862 -1.027 -8.989 1.00 0.00 WT3 H ATOM 46312 OH2 TIP3 8106 -1.959 4.546 -1.020 1.00 0.00 WT3 O ATOM 46313 H1 TIP3 8106 -3.394 1.410 6.866 1.00 0.00 WT3 H ATOM 46314 H2 TIP3 8106 3.536 -3.634 -4.187 1.00 0.00 WT3 H ATOM 46315 OH2 TIP3 8107 2.206 -4.004 1.040 1.00 0.00 WT3 O ATOM 46316 H1 TIP3 8107 25.095 9.162 -3.630 1.00 0.00 WT3 H ATOM 46317 H2 TIP3 8107 -18.243 14.233 -1.045 1.00 0.00 WT3 H ATOM 46318 OH2 TIP3 8108 2.237 1.737 4.631 1.00 0.00 WT3 O ATOM 46319 H1 TIP3 8108 25.153 -14.597 -8.008 1.00 0.00 WT3 H ATOM 46320 H2 TIP3 8108 -19.333 -18.505 -12.012 1.00 0.00 WT3 H ATOM 46321 OH2 TIP3 8109 -1.087 -3.971 -2.535 1.00 0.00 WT3 O ATOM 46322 H1 TIP3 8109 7.164 -5.431 -7.400 1.00 0.00 WT3 H ATOM 46323 H2 TIP3 8109 -4.408 -12.172 -11.043 1.00 0.00 WT3 H ATOM 46324 OH2 TIP3 8110 3.840 1.864 0.912 1.00 0.00 WT3 O ATOM 46325 H1 TIP3 8110 1.833 -5.072 -4.769 1.00 0.00 WT3 H ATOM 46326 H2 TIP3 8110 1.250 -9.953 -7.836 1.00 0.00 WT3 H ATOM 46327 OH2 TIP3 8111 -1.525 -3.097 5.103 1.00 0.00 WT3 O ATOM 46328 H1 TIP3 8111 14.441 21.003 0.334 1.00 0.00 WT3 H ATOM 46329 H2 TIP3 8111 0.839 -2.228 1.705 1.00 0.00 WT3 H ATOM 46330 OH2 TIP3 8112 -6.749 5.761 -5.908 1.00 0.00 WT3 O ATOM 46331 H1 TIP3 8112 26.453 -8.042 -22.467 1.00 0.00 WT3 H ATOM 46332 H2 TIP3 8112 -16.851 8.676 2.837 1.00 0.00 WT3 H ATOM 46333 OH2 TIP3 8113 -8.867 -1.322 -1.132 1.00 0.00 WT3 O ATOM 46334 H1 TIP3 8113 -0.274 3.620 0.088 1.00 0.00 WT3 H ATOM 46335 H2 TIP3 8113 0.509 -2.228 5.971 1.00 0.00 WT3 H ATOM 46336 OH2 TIP3 8114 -9.159 2.867 3.579 1.00 0.00 WT3 O ATOM 46337 H1 TIP3 8114 -3.349 10.297 -6.137 1.00 0.00 WT3 H ATOM 46338 H2 TIP3 8114 4.903 12.181 28.501 1.00 0.00 WT3 H ATOM 46339 OH2 TIP3 8116 -6.597 -3.481 -5.178 1.00 0.00 WT3 O ATOM 46340 H1 TIP3 8116 -15.648 -0.961 -17.601 1.00 0.00 WT3 H ATOM 46341 H2 TIP3 8116 -10.993 3.530 2.380 1.00 0.00 WT3 H ATOM 46342 OH2 TIP3 8117 -0.261 -0.604 -12.533 1.00 0.00 WT3 O ATOM 46343 H1 TIP3 8117 -1.135 5.005 1.451 1.00 0.00 WT3 H ATOM 46344 H2 TIP3 8117 11.994 -4.409 -13.043 1.00 0.00 WT3 H ATOM 46345 OH2 TIP3 8118 0.545 3.470 -6.006 1.00 0.00 WT3 O ATOM 46346 H1 TIP3 8118 -19.048 -7.657 -25.172 1.00 0.00 WT3 H ATOM 46347 H2 TIP3 8118 15.712 4.195 10.062 1.00 0.00 WT3 H ATOM 46348 OH2 TIP3 8121 1.379 -2.866 -2.034 1.00 0.00 WT3 O ATOM 46349 H1 TIP3 8121 -9.488 8.243 -1.107 1.00 0.00 WT3 H ATOM 46350 H2 TIP3 8121 35.505 -26.439 -2.957 1.00 0.00 WT3 H ATOM 46351 OH2 TIP3 8122 3.681 -1.387 1.199 1.00 0.00 WT3 O ATOM 46352 H1 TIP3 8122 3.182 -4.115 -1.815 1.00 0.00 WT3 H ATOM 46353 H2 TIP3 8122 0.016 -7.498 -5.474 1.00 0.00 WT3 H ATOM 46354 OH2 TIP3 8123 0.447 -4.395 1.017 1.00 0.00 WT3 O ATOM 46355 H1 TIP3 8123 -23.448 -8.645 -0.507 1.00 0.00 WT3 H ATOM 46356 H2 TIP3 8123 -12.533 3.393 4.768 1.00 0.00 WT3 H ATOM 46357 OH2 TIP3 8128 -0.439 0.666 9.137 1.00 0.00 WT3 O ATOM 46358 H1 TIP3 8128 -0.882 -3.302 11.379 1.00 0.00 WT3 H ATOM 46359 H2 TIP3 8128 5.892 -25.105 10.920 1.00 0.00 WT3 H ATOM 46360 OH2 TIP3 8129 2.328 0.759 3.486 1.00 0.00 WT3 O ATOM 46361 H1 TIP3 8129 5.742 20.820 10.800 1.00 0.00 WT3 H ATOM 46362 H2 TIP3 8129 -25.528 0.241 9.939 1.00 0.00 WT3 H ATOM 46363 OH2 TIP3 8133 2.403 -1.891 2.317 1.00 0.00 WT3 O ATOM 46364 H1 TIP3 8133 -3.757 -0.048 24.054 1.00 0.00 WT3 H ATOM 46365 H2 TIP3 8133 11.102 -22.216 -4.607 1.00 0.00 WT3 H ATOM 46366 OH2 TIP3 8135 1.689 1.969 4.922 1.00 0.00 WT3 O ATOM 46367 H1 TIP3 8135 -14.078 6.898 -0.536 1.00 0.00 WT3 H ATOM 46368 H2 TIP3 8135 2.736 13.284 2.944 1.00 0.00 WT3 H ATOM 46369 OH2 TIP3 8137 4.303 -0.433 3.936 1.00 0.00 WT3 O ATOM 46370 H1 TIP3 8137 3.415 -19.597 4.367 1.00 0.00 WT3 H ATOM 46371 H2 TIP3 8137 9.278 6.407 7.518 1.00 0.00 WT3 H ATOM 46372 OH2 TIP3 8138 -4.027 -8.576 7.935 1.00 0.00 WT3 O ATOM 46373 H1 TIP3 8138 5.861 9.256 1.863 1.00 0.00 WT3 H ATOM 46374 H2 TIP3 8138 -11.232 3.370 6.333 1.00 0.00 WT3 H ATOM 46375 OH2 TIP3 8142 1.579 -1.106 -0.382 1.00 0.00 WT3 O ATOM 46376 H1 TIP3 8142 -9.769 -9.130 21.459 1.00 0.00 WT3 H ATOM 46377 H2 TIP3 8142 -4.299 -10.573 -1.958 1.00 0.00 WT3 H ATOM 46378 OH2 TIP3 8143 2.446 -2.036 0.766 1.00 0.00 WT3 O ATOM 46379 H1 TIP3 8143 14.074 6.397 0.144 1.00 0.00 WT3 H ATOM 46380 H2 TIP3 8143 3.686 1.569 -8.083 1.00 0.00 WT3 H ATOM 46381 OH2 TIP3 8146 -5.208 1.189 -3.042 1.00 0.00 WT3 O ATOM 46382 H1 TIP3 8146 -8.757 -9.330 5.409 1.00 0.00 WT3 H ATOM 46383 H2 TIP3 8146 -8.242 14.020 1.739 1.00 0.00 WT3 H ATOM 46384 OH2 TIP3 8147 -6.217 -1.038 -2.364 1.00 0.00 WT3 O ATOM 46385 H1 TIP3 8147 0.287 -9.117 -7.935 1.00 0.00 WT3 H ATOM 46386 H2 TIP3 8147 4.307 11.667 -5.841 1.00 0.00 WT3 H ATOM 46387 OH2 TIP3 8150 1.589 -4.655 2.649 1.00 0.00 WT3 O ATOM 46388 H1 TIP3 8150 -14.049 1.860 23.760 1.00 0.00 WT3 H ATOM 46389 H2 TIP3 8150 26.126 -1.498 10.776 1.00 0.00 WT3 H ATOM 46390 OH2 TIP3 8154 -1.328 -0.215 3.443 1.00 0.00 WT3 O ATOM 46391 H1 TIP3 8154 3.624 -9.122 -6.402 1.00 0.00 WT3 H ATOM 46392 H2 TIP3 8154 2.120 6.074 -18.911 1.00 0.00 WT3 H ATOM 46393 OH2 TIP3 8155 -2.508 0.318 2.192 1.00 0.00 WT3 O ATOM 46394 H1 TIP3 8155 3.705 -2.278 -8.070 1.00 0.00 WT3 H ATOM 46395 H2 TIP3 8155 -1.971 -6.245 -36.879 1.00 0.00 WT3 H ATOM 46396 OH2 TIP3 8158 -1.238 1.321 2.073 1.00 0.00 WT3 O ATOM 46397 H1 TIP3 8158 -4.708 9.349 8.243 1.00 0.00 WT3 H ATOM 46398 H2 TIP3 8158 -7.649 14.490 12.096 1.00 0.00 WT3 H ATOM 46399 OH2 TIP3 8159 -6.421 -4.219 -2.793 1.00 0.00 WT3 O ATOM 46400 H1 TIP3 8159 -16.709 -3.845 -9.977 1.00 0.00 WT3 H ATOM 46401 H2 TIP3 8159 -20.707 -10.386 -21.453 1.00 0.00 WT3 H ATOM 46402 OH2 TIP3 8170 1.141 -5.196 9.503 1.00 0.00 WT3 O ATOM 46403 H1 TIP3 8170 0.255 -3.030 1.358 1.00 0.00 WT3 H ATOM 46404 H2 TIP3 8170 -1.866 -5.126 6.614 1.00 0.00 WT3 H ATOM 46405 OH2 TIP3 8174 6.168 -2.890 -4.374 1.00 0.00 WT3 O ATOM 46406 H1 TIP3 8174 23.465 -33.119 3.362 1.00 0.00 WT3 H ATOM 46407 H2 TIP3 8174 -7.692 17.318 10.985 1.00 0.00 WT3 H ATOM 46408 OH2 TIP3 8178 -0.630 -5.073 -1.777 1.00 0.00 WT3 O ATOM 46409 H1 TIP3 8178 3.589 -29.118 10.217 1.00 0.00 WT3 H ATOM 46410 H2 TIP3 8178 8.303 5.866 14.105 1.00 0.00 WT3 H ATOM 46411 OH2 TIP3 8180 0.163 5.028 4.432 1.00 0.00 WT3 O ATOM 46412 H1 TIP3 8180 1.321 -6.300 -7.327 1.00 0.00 WT3 H ATOM 46413 H2 TIP3 8180 -11.113 0.012 16.877 1.00 0.00 WT3 H ATOM 46414 OH2 TIP3 8183 -6.017 -2.752 -4.755 1.00 0.00 WT3 O ATOM 46415 H1 TIP3 8183 6.138 -18.694 5.635 1.00 0.00 WT3 H ATOM 46416 H2 TIP3 8183 1.910 21.600 8.004 1.00 0.00 WT3 H ATOM 46417 OH2 TIP3 8185 1.037 -6.702 -4.144 1.00 0.00 WT3 O ATOM 46418 H1 TIP3 8185 -2.745 -6.569 -0.628 1.00 0.00 WT3 H ATOM 46419 H2 TIP3 8185 17.847 -7.090 -8.319 1.00 0.00 WT3 H ATOM 46420 OH2 TIP3 8201 3.451 -5.652 -0.843 1.00 0.00 WT3 O ATOM 46421 H1 TIP3 8201 28.636 -2.430 9.446 1.00 0.00 WT3 H ATOM 46422 H2 TIP3 8201 11.028 -5.273 -23.762 1.00 0.00 WT3 H ATOM 46423 OH2 TIP3 8202 -2.845 3.393 0.172 1.00 0.00 WT3 O ATOM 46424 H1 TIP3 8202 16.376 11.865 1.668 1.00 0.00 WT3 H ATOM 46425 H2 TIP3 8202 4.528 0.407 -16.787 1.00 0.00 WT3 H ATOM 46426 OH2 TIP3 8206 5.064 3.129 0.291 1.00 0.00 WT3 O ATOM 46427 H1 TIP3 8206 -13.469 10.424 -28.412 1.00 0.00 WT3 H ATOM 46428 H2 TIP3 8206 10.900 -14.671 22.638 1.00 0.00 WT3 H ATOM 46429 OH2 TIP3 8219 0.989 -1.999 3.231 1.00 0.00 WT3 O ATOM 46430 H1 TIP3 8219 -1.593 14.563 -5.285 1.00 0.00 WT3 H ATOM 46431 H2 TIP3 8219 8.102 14.301 -10.428 1.00 0.00 WT3 H ATOM 46432 OH2 TIP3 8228 -0.187 4.545 0.480 1.00 0.00 WT3 O ATOM 46433 H1 TIP3 8228 -2.342 1.378 -2.368 1.00 0.00 WT3 H ATOM 46434 H2 TIP3 8228 -3.893 -11.182 13.397 1.00 0.00 WT3 H ATOM 46435 OH2 TIP3 8267 -0.566 -3.443 4.422 1.00 0.00 WT3 O ATOM 46436 H1 TIP3 8267 -9.087 -1.014 -16.366 1.00 0.00 WT3 H ATOM 46437 H2 TIP3 8267 -8.839 -22.532 12.824 1.00 0.00 WT3 H ATOM 46438 OH2 TIP3 8270 -1.343 -4.396 -5.447 1.00 0.00 WT3 O ATOM 46439 H1 TIP3 8270 10.558 -11.561 -2.614 1.00 0.00 WT3 H ATOM 46440 H2 TIP3 8270 5.020 7.951 -11.157 1.00 0.00 WT3 H ATOM 46441 OH2 TIP3 8290 -3.673 -0.294 -4.637 1.00 0.00 WT3 O ATOM 46442 H1 TIP3 8290 -5.172 1.178 -2.268 1.00 0.00 WT3 H ATOM 46443 H2 TIP3 8290 -8.043 -1.798 -6.935 1.00 0.00 WT3 H ATOM 46444 OH2 TIP3 8304 1.974 -4.575 3.824 1.00 0.00 WT3 O ATOM 46445 H1 TIP3 8304 -4.618 -6.026 -7.206 1.00 0.00 WT3 H ATOM 46446 H2 TIP3 8304 12.560 -10.847 2.486 1.00 0.00 WT3 H ATOM 46447 OH2 TIP3 8309 6.196 -3.321 0.788 1.00 0.00 WT3 O ATOM 46448 H1 TIP3 8309 24.393 8.592 -2.966 1.00 0.00 WT3 H ATOM 46449 H2 TIP3 8309 5.903 -7.767 -3.036 1.00 0.00 WT3 H ATOM 46450 OH2 TIP3 8319 -1.947 -3.862 3.526 1.00 0.00 WT3 O ATOM 46451 H1 TIP3 8319 5.654 -6.884 15.864 1.00 0.00 WT3 H ATOM 46452 H2 TIP3 8319 -11.013 -10.774 -6.263 1.00 0.00 WT3 H ATOM 46453 OH2 TIP3 8322 -1.178 2.027 2.333 1.00 0.00 WT3 O ATOM 46454 H1 TIP3 8322 -6.366 18.329 20.076 1.00 0.00 WT3 H ATOM 46455 H2 TIP3 8322 -14.102 -2.123 -2.820 1.00 0.00 WT3 H ATOM 46456 OH2 TIP3 8324 2.688 -5.619 -2.318 1.00 0.00 WT3 O ATOM 46457 H1 TIP3 8324 4.902 0.871 -0.210 1.00 0.00 WT3 H ATOM 46458 H2 TIP3 8324 3.267 -3.451 -3.802 1.00 0.00 WT3 H ATOM 46459 OH2 TIP3 8327 1.663 -0.339 0.441 1.00 0.00 WT3 O ATOM 46460 H1 TIP3 8327 -2.823 -21.648 -22.850 1.00 0.00 WT3 H ATOM 46461 H2 TIP3 8327 -38.824 -12.128 -17.958 1.00 0.00 WT3 H ATOM 46462 OH2 TIP3 8339 -0.561 -3.126 3.808 1.00 0.00 WT3 O ATOM 46463 H1 TIP3 8339 -6.139 -32.498 -6.472 1.00 0.00 WT3 H ATOM 46464 H2 TIP3 8339 -5.835 -8.075 8.395 1.00 0.00 WT3 H ATOM 46465 OH2 TIP3 8345 -3.638 -2.461 4.358 1.00 0.00 WT3 O ATOM 46466 H1 TIP3 8345 -10.246 4.897 4.866 1.00 0.00 WT3 H ATOM 46467 H2 TIP3 8345 -21.882 12.822 8.479 1.00 0.00 WT3 H ATOM 46468 OH2 TIP3 8348 9.985 -3.198 3.271 1.00 0.00 WT3 O ATOM 46469 H1 TIP3 8348 3.034 -3.191 9.692 1.00 0.00 WT3 H ATOM 46470 H2 TIP3 8348 -3.003 -2.044 14.299 1.00 0.00 WT3 H ATOM 46471 OH2 TIP3 8349 1.062 2.797 -4.382 1.00 0.00 WT3 O ATOM 46472 H1 TIP3 8349 -3.003 21.531 -10.149 1.00 0.00 WT3 H ATOM 46473 H2 TIP3 8349 5.079 13.103 0.242 1.00 0.00 WT3 H ATOM 46474 OH2 TIP3 8354 -2.524 -2.458 -3.907 1.00 0.00 WT3 O ATOM 46475 H1 TIP3 8354 6.192 -5.709 1.906 1.00 0.00 WT3 H ATOM 46476 H2 TIP3 8354 15.908 -9.745 -1.793 1.00 0.00 WT3 H ATOM 46477 OH2 TIP3 8355 -1.271 -0.196 -4.568 1.00 0.00 WT3 O ATOM 46478 H1 TIP3 8355 -21.882 2.510 -19.193 1.00 0.00 WT3 H ATOM 46479 H2 TIP3 8355 3.124 -15.715 -2.864 1.00 0.00 WT3 H ATOM 46480 OH2 TIP3 8359 -1.114 -0.070 6.061 1.00 0.00 WT3 O ATOM 46481 H1 TIP3 8359 -11.348 33.993 -27.484 1.00 0.00 WT3 H ATOM 46482 H2 TIP3 8359 -5.577 7.699 3.494 1.00 0.00 WT3 H ATOM 46483 OH2 TIP3 8360 5.126 2.021 1.024 1.00 0.00 WT3 O ATOM 46484 H1 TIP3 8360 12.956 3.161 -11.308 1.00 0.00 WT3 H ATOM 46485 H2 TIP3 8360 -5.727 -9.156 4.100 1.00 0.00 WT3 H ATOM 46486 OH2 TIP3 8364 -6.588 3.147 -0.020 1.00 0.00 WT3 O ATOM 46487 H1 TIP3 8364 12.077 -12.924 -0.792 1.00 0.00 WT3 H ATOM 46488 H2 TIP3 8364 -4.956 -1.083 -6.389 1.00 0.00 WT3 H ATOM 46489 OH2 TIP3 8365 -3.891 4.703 -4.391 1.00 0.00 WT3 O ATOM 46490 H1 TIP3 8365 -0.824 14.830 3.320 1.00 0.00 WT3 H ATOM 46491 H2 TIP3 8365 -8.423 -13.473 -17.507 1.00 0.00 WT3 H ATOM 46492 OH2 TIP3 8369 0.315 -3.138 -3.923 1.00 0.00 WT3 O ATOM 46493 H1 TIP3 8369 -5.406 3.494 -14.152 1.00 0.00 WT3 H ATOM 46494 H2 TIP3 8369 -13.390 -8.900 -15.923 1.00 0.00 WT3 H ATOM 46495 OH2 TIP3 8370 1.979 -1.911 -1.039 1.00 0.00 WT3 O ATOM 46496 H1 TIP3 8370 15.464 12.093 -4.961 1.00 0.00 WT3 H ATOM 46497 H2 TIP3 8370 -1.583 -4.611 -1.351 1.00 0.00 WT3 H ATOM 46498 OH2 TIP3 8372 -1.907 -8.079 5.912 1.00 0.00 WT3 O ATOM 46499 H1 TIP3 8372 -0.932 -7.145 5.969 1.00 0.00 WT3 H ATOM 46500 H2 TIP3 8372 -1.170 -4.294 9.536 1.00 0.00 WT3 H ATOM 46501 OH2 TIP3 8375 4.389 -3.108 -0.374 1.00 0.00 WT3 O ATOM 46502 H1 TIP3 8375 -5.994 14.410 -12.128 1.00 0.00 WT3 H ATOM 46503 H2 TIP3 8375 -0.545 7.017 24.414 1.00 0.00 WT3 H ATOM 46504 OH2 TIP3 8376 -0.306 -3.501 1.729 1.00 0.00 WT3 O ATOM 46505 H1 TIP3 8376 9.184 -7.016 -12.461 1.00 0.00 WT3 H ATOM 46506 H2 TIP3 8376 -2.773 -12.287 -8.186 1.00 0.00 WT3 H ATOM 46507 OH2 TIP3 8377 7.128 -1.763 -0.092 1.00 0.00 WT3 O ATOM 46508 H1 TIP3 8377 -7.095 15.869 14.432 1.00 0.00 WT3 H ATOM 46509 H2 TIP3 8377 0.809 6.383 1.067 1.00 0.00 WT3 H ATOM 46510 OH2 TIP3 8378 -0.371 3.660 -7.340 1.00 0.00 WT3 O ATOM 46511 H1 TIP3 8378 -0.191 -9.833 -10.193 1.00 0.00 WT3 H ATOM 46512 H2 TIP3 8378 -4.065 9.319 -21.981 1.00 0.00 WT3 H ATOM 46513 OH2 TIP3 8381 7.852 3.864 0.031 1.00 0.00 WT3 O ATOM 46514 H1 TIP3 8381 8.479 13.295 -5.978 1.00 0.00 WT3 H ATOM 46515 H2 TIP3 8381 3.480 -30.679 33.085 1.00 0.00 WT3 H ATOM 46516 OH2 TIP3 8382 -0.154 -1.247 -0.991 1.00 0.00 WT3 O ATOM 46517 H1 TIP3 8382 6.279 -5.342 -23.379 1.00 0.00 WT3 H ATOM 46518 H2 TIP3 8382 -8.883 4.597 3.808 1.00 0.00 WT3 H ATOM 46519 OH2 TIP3 8384 -0.663 -4.071 3.263 1.00 0.00 WT3 O ATOM 46520 H1 TIP3 8384 -2.955 -5.138 8.358 1.00 0.00 WT3 H ATOM 46521 H2 TIP3 8384 -5.278 -6.767 14.730 1.00 0.00 WT3 H ATOM 46522 OH2 TIP3 8386 -2.773 1.893 4.400 1.00 0.00 WT3 O ATOM 46523 H1 TIP3 8386 3.827 -22.157 -4.644 1.00 0.00 WT3 H ATOM 46524 H2 TIP3 8386 -4.748 11.121 6.313 1.00 0.00 WT3 H ATOM 46525 OH2 TIP3 8388 4.559 -0.086 -1.297 1.00 0.00 WT3 O ATOM 46526 H1 TIP3 8388 3.168 -3.448 -4.917 1.00 0.00 WT3 H ATOM 46527 H2 TIP3 8388 1.633 6.221 17.166 1.00 0.00 WT3 H ATOM 46528 OH2 TIP3 8389 8.740 -5.111 5.572 1.00 0.00 WT3 O ATOM 46529 H1 TIP3 8389 12.436 -15.685 10.571 1.00 0.00 WT3 H ATOM 46530 H2 TIP3 8389 4.209 1.718 5.431 1.00 0.00 WT3 H ATOM 46531 OH2 TIP3 8391 4.462 -0.865 -1.468 1.00 0.00 WT3 O ATOM 46532 H1 TIP3 8391 14.593 1.044 -6.360 1.00 0.00 WT3 H ATOM 46533 H2 TIP3 8391 -8.042 12.638 -7.264 1.00 0.00 WT3 H ATOM 46534 OH2 TIP3 8392 -4.147 -1.153 1.941 1.00 0.00 WT3 O ATOM 46535 H1 TIP3 8392 1.544 -5.504 0.265 1.00 0.00 WT3 H ATOM 46536 H2 TIP3 8392 6.728 -8.250 -1.076 1.00 0.00 WT3 H ATOM 46537 OH2 TIP3 8393 7.377 -1.321 0.080 1.00 0.00 WT3 O ATOM 46538 H1 TIP3 8393 4.959 2.914 -11.556 1.00 0.00 WT3 H ATOM 46539 H2 TIP3 8393 7.551 -3.533 0.559 1.00 0.00 WT3 H ATOM 46540 OH2 TIP3 8394 -4.521 -2.069 2.868 1.00 0.00 WT3 O ATOM 46541 H1 TIP3 8394 1.010 -7.614 9.356 1.00 0.00 WT3 H ATOM 46542 H2 TIP3 8394 -0.186 -7.013 8.084 1.00 0.00 WT3 H ATOM 46543 OH2 TIP3 8396 -1.614 2.804 2.800 1.00 0.00 WT3 O ATOM 46544 H1 TIP3 8396 -3.318 -0.232 8.699 1.00 0.00 WT3 H ATOM 46545 H2 TIP3 8396 5.828 5.087 4.011 1.00 0.00 WT3 H ATOM 46546 OH2 TIP3 8397 5.988 4.113 -2.605 1.00 0.00 WT3 O ATOM 46547 H1 TIP3 8397 10.921 -8.628 6.867 1.00 0.00 WT3 H ATOM 46548 H2 TIP3 8397 4.127 4.896 -10.444 1.00 0.00 WT3 H ATOM 46549 OH2 TIP3 8399 -2.539 -0.535 -2.297 1.00 0.00 WT3 O ATOM 46550 H1 TIP3 8399 2.835 -7.444 -18.508 1.00 0.00 WT3 H ATOM 46551 H2 TIP3 8399 -4.541 15.386 21.037 1.00 0.00 WT3 H ATOM 46552 OH2 TIP3 8401 2.183 -0.985 -2.969 1.00 0.00 WT3 O ATOM 46553 H1 TIP3 8401 -7.995 -0.153 9.111 1.00 0.00 WT3 H ATOM 46554 H2 TIP3 8401 3.102 -5.191 -10.092 1.00 0.00 WT3 H ATOM 46555 OH2 TIP3 8402 1.875 1.037 1.707 1.00 0.00 WT3 O ATOM 46556 H1 TIP3 8402 9.119 -9.615 -3.114 1.00 0.00 WT3 H ATOM 46557 H2 TIP3 8402 3.211 10.038 -8.451 1.00 0.00 WT3 H ATOM 46558 OH2 TIP3 8403 1.535 2.601 -0.581 1.00 0.00 WT3 O ATOM 46559 H1 TIP3 8403 13.275 6.337 22.810 1.00 0.00 WT3 H ATOM 46560 H2 TIP3 8403 -16.639 0.731 4.388 1.00 0.00 WT3 H ATOM 46561 OH2 TIP3 8404 2.977 1.424 1.234 1.00 0.00 WT3 O ATOM 46562 H1 TIP3 8404 1.645 1.169 -4.748 1.00 0.00 WT3 H ATOM 46563 H2 TIP3 8404 1.742 -20.742 15.657 1.00 0.00 WT3 H ATOM 46564 OH2 TIP3 8406 0.883 1.191 -5.406 1.00 0.00 WT3 O ATOM 46565 H1 TIP3 8406 10.293 13.061 -13.087 1.00 0.00 WT3 H ATOM 46566 H2 TIP3 8406 -4.787 6.423 12.702 1.00 0.00 WT3 H ATOM 46567 OH2 TIP3 8408 -3.683 -4.954 8.642 1.00 0.00 WT3 O ATOM 46568 H1 TIP3 8408 -10.335 -8.837 21.298 1.00 0.00 WT3 H ATOM 46569 H2 TIP3 8408 0.652 -0.319 -1.707 1.00 0.00 WT3 H ATOM 46570 OH2 TIP3 8409 -9.255 3.961 -2.120 1.00 0.00 WT3 O ATOM 46571 H1 TIP3 8409 -16.945 -10.492 4.007 1.00 0.00 WT3 H ATOM 46572 H2 TIP3 8409 -25.498 -20.768 -8.695 1.00 0.00 WT3 H ATOM 46573 OH2 TIP3 8410 4.481 -2.683 3.410 1.00 0.00 WT3 O ATOM 46574 H1 TIP3 8410 -8.203 -8.586 -8.222 1.00 0.00 WT3 H ATOM 46575 H2 TIP3 8410 14.786 -5.993 -5.503 1.00 0.00 WT3 H ATOM 46576 OH2 TIP3 8411 1.733 -3.566 -8.549 1.00 0.00 WT3 O ATOM 46577 H1 TIP3 8411 -2.039 -2.463 8.326 1.00 0.00 WT3 H ATOM 46578 H2 TIP3 8411 0.446 -0.184 16.523 1.00 0.00 WT3 H ATOM 46579 OH2 TIP3 8412 1.193 -3.725 -0.119 1.00 0.00 WT3 O ATOM 46580 H1 TIP3 8412 4.843 -30.851 -13.049 1.00 0.00 WT3 H ATOM 46581 H2 TIP3 8412 10.939 11.084 15.998 1.00 0.00 WT3 H ATOM 46582 OH2 TIP3 8413 3.918 -3.359 -8.387 1.00 0.00 WT3 O ATOM 46583 H1 TIP3 8413 -0.811 -2.271 -0.036 1.00 0.00 WT3 H ATOM 46584 H2 TIP3 8413 -12.046 -3.670 3.285 1.00 0.00 WT3 H ATOM 46585 OH2 TIP3 8414 -3.068 -3.764 3.748 1.00 0.00 WT3 O ATOM 46586 H1 TIP3 8414 1.566 -0.228 6.881 1.00 0.00 WT3 H ATOM 46587 H2 TIP3 8414 -3.189 -3.643 -2.363 1.00 0.00 WT3 H ATOM 46588 OH2 TIP3 8415 0.332 0.867 0.194 1.00 0.00 WT3 O ATOM 46589 H1 TIP3 8415 12.364 -1.127 3.206 1.00 0.00 WT3 H ATOM 46590 H2 TIP3 8415 2.458 -8.586 -4.699 1.00 0.00 WT3 H ATOM 46591 OH2 TIP3 8416 -1.400 1.867 -0.563 1.00 0.00 WT3 O ATOM 46592 H1 TIP3 8416 18.149 10.004 1.958 1.00 0.00 WT3 H ATOM 46593 H2 TIP3 8416 -4.824 -4.351 9.418 1.00 0.00 WT3 H ATOM 46594 OH2 TIP3 8419 -3.084 -6.614 -6.975 1.00 0.00 WT3 O ATOM 46595 H1 TIP3 8419 -7.887 -19.432 -14.503 1.00 0.00 WT3 H ATOM 46596 H2 TIP3 8419 -15.630 2.686 -5.765 1.00 0.00 WT3 H ATOM 46597 OH2 TIP3 8420 0.422 1.823 -0.346 1.00 0.00 WT3 O ATOM 46598 H1 TIP3 8420 15.316 -7.733 -2.711 1.00 0.00 WT3 H ATOM 46599 H2 TIP3 8420 -6.292 -4.745 14.714 1.00 0.00 WT3 H ATOM 46600 OH2 TIP3 8421 -0.425 5.347 -6.071 1.00 0.00 WT3 O ATOM 46601 H1 TIP3 8421 -12.808 -31.959 -15.727 1.00 0.00 WT3 H ATOM 46602 H2 TIP3 8421 1.104 4.901 -18.280 1.00 0.00 WT3 H ATOM 46603 OH2 TIP3 8422 1.130 6.215 1.108 1.00 0.00 WT3 O ATOM 46604 H1 TIP3 8422 5.925 0.861 1.456 1.00 0.00 WT3 H ATOM 46605 H2 TIP3 8422 -0.157 5.103 1.027 1.00 0.00 WT3 H ATOM 46606 OH2 TIP3 8423 1.526 -5.631 4.320 1.00 0.00 WT3 O ATOM 46607 H1 TIP3 8423 -3.464 -17.608 7.495 1.00 0.00 WT3 H ATOM 46608 H2 TIP3 8423 14.452 3.785 -5.512 1.00 0.00 WT3 H ATOM 46609 OH2 TIP3 8424 -1.912 6.416 11.794 1.00 0.00 WT3 O ATOM 46610 H1 TIP3 8424 23.605 -2.316 -0.984 1.00 0.00 WT3 H ATOM 46611 H2 TIP3 8424 -26.179 -7.701 -28.772 1.00 0.00 WT3 H ATOM 46612 OH2 TIP3 8425 0.320 0.937 -0.011 1.00 0.00 WT3 O ATOM 46613 H1 TIP3 8425 -0.607 -4.129 1.573 1.00 0.00 WT3 H ATOM 46614 H2 TIP3 8425 4.435 5.702 1.073 1.00 0.00 WT3 H ATOM 46615 OH2 TIP3 8426 -6.348 4.136 -2.675 1.00 0.00 WT3 O ATOM 46616 H1 TIP3 8426 -2.449 -6.029 12.611 1.00 0.00 WT3 H ATOM 46617 H2 TIP3 8426 17.149 28.092 -20.753 1.00 0.00 WT3 H ATOM 46618 OH2 TIP3 8427 0.119 0.289 -4.186 1.00 0.00 WT3 O ATOM 46619 H1 TIP3 8427 -14.912 2.517 -14.727 1.00 0.00 WT3 H ATOM 46620 H2 TIP3 8427 -6.551 1.090 3.629 1.00 0.00 WT3 H ATOM 46621 OH2 TIP3 8428 -0.747 -3.852 -4.683 1.00 0.00 WT3 O ATOM 46622 H1 TIP3 8428 -2.611 -2.651 -12.292 1.00 0.00 WT3 H ATOM 46623 H2 TIP3 8428 -11.276 -8.236 -2.934 1.00 0.00 WT3 H ATOM 46624 OH2 TIP3 8429 1.396 -3.009 -0.744 1.00 0.00 WT3 O ATOM 46625 H1 TIP3 8429 -9.414 2.113 9.046 1.00 0.00 WT3 H ATOM 46626 H2 TIP3 8429 -10.849 -13.684 -5.015 1.00 0.00 WT3 H ATOM 46627 OH2 TIP3 8430 8.622 -3.037 -0.369 1.00 0.00 WT3 O ATOM 46628 H1 TIP3 8430 10.085 -13.270 10.502 1.00 0.00 WT3 H ATOM 46629 H2 TIP3 8430 -13.462 17.284 -9.804 1.00 0.00 WT3 H ATOM 46630 OH2 TIP3 8431 2.527 3.661 -0.797 1.00 0.00 WT3 O ATOM 46631 H1 TIP3 8431 -7.614 13.719 4.357 1.00 0.00 WT3 H ATOM 46632 H2 TIP3 8431 -15.091 -10.238 5.122 1.00 0.00 WT3 H ATOM 46633 OH2 TIP3 8432 -0.634 1.446 -2.044 1.00 0.00 WT3 O ATOM 46634 H1 TIP3 8432 15.769 -14.050 -20.351 1.00 0.00 WT3 H ATOM 46635 H2 TIP3 8432 6.401 8.012 -9.654 1.00 0.00 WT3 H ATOM 46636 OH2 TIP3 8433 -2.539 -4.202 9.014 1.00 0.00 WT3 O ATOM 46637 H1 TIP3 8433 -17.900 -21.951 -12.008 1.00 0.00 WT3 H ATOM 46638 H2 TIP3 8433 -3.050 -17.309 -15.742 1.00 0.00 WT3 H ATOM 46639 OH2 TIP3 8434 0.480 0.193 0.971 1.00 0.00 WT3 O ATOM 46640 H1 TIP3 8434 28.269 2.273 5.834 1.00 0.00 WT3 H ATOM 46641 H2 TIP3 8434 -24.148 -6.694 17.209 1.00 0.00 WT3 H ATOM 46642 OH2 TIP3 8435 -3.105 -3.523 3.248 1.00 0.00 WT3 O ATOM 46643 H1 TIP3 8435 -5.324 10.172 7.727 1.00 0.00 WT3 H ATOM 46644 H2 TIP3 8435 15.416 -9.805 -25.106 1.00 0.00 WT3 H ATOM 46645 OH2 TIP3 8437 2.687 -4.880 -0.266 1.00 0.00 WT3 O ATOM 46646 H1 TIP3 8437 3.023 -4.984 -18.622 1.00 0.00 WT3 H ATOM 46647 H2 TIP3 8437 17.991 5.967 15.766 1.00 0.00 WT3 H ATOM 46648 OH2 TIP3 8438 -2.144 2.084 -3.559 1.00 0.00 WT3 O ATOM 46649 H1 TIP3 8438 -3.838 19.813 -6.190 1.00 0.00 WT3 H ATOM 46650 H2 TIP3 8438 -3.539 -4.402 -3.872 1.00 0.00 WT3 H ATOM 46651 OH2 TIP3 8439 4.228 1.086 1.868 1.00 0.00 WT3 O ATOM 46652 H1 TIP3 8439 -13.487 -8.929 -14.055 1.00 0.00 WT3 H ATOM 46653 H2 TIP3 8439 10.483 3.118 -2.928 1.00 0.00 WT3 H ATOM 46654 OH2 TIP3 8441 0.730 -1.206 -1.510 1.00 0.00 WT3 O ATOM 46655 H1 TIP3 8441 -14.974 -19.423 11.818 1.00 0.00 WT3 H ATOM 46656 H2 TIP3 8441 -6.408 -2.081 -22.967 1.00 0.00 WT3 H ATOM 46657 OH2 TIP3 8442 2.473 2.062 -2.299 1.00 0.00 WT3 O ATOM 46658 H1 TIP3 8442 3.539 16.557 15.521 1.00 0.00 WT3 H ATOM 46659 H2 TIP3 8442 3.857 18.570 17.888 1.00 0.00 WT3 H ATOM 46660 OH2 TIP3 8443 -5.515 5.257 -2.073 1.00 0.00 WT3 O ATOM 46661 H1 TIP3 8443 -2.289 10.889 -2.031 1.00 0.00 WT3 H ATOM 46662 H2 TIP3 8443 -2.965 10.742 -4.303 1.00 0.00 WT3 H ATOM 46663 OH2 TIP3 8444 4.699 6.280 12.207 1.00 0.00 WT3 O ATOM 46664 H1 TIP3 8444 15.976 13.384 4.751 1.00 0.00 WT3 H ATOM 46665 H2 TIP3 8444 -3.676 16.592 16.856 1.00 0.00 WT3 H ATOM 46666 OH2 TIP3 8445 1.149 0.469 4.152 1.00 0.00 WT3 O ATOM 46667 H1 TIP3 8445 16.643 -11.022 0.302 1.00 0.00 WT3 H ATOM 46668 H2 TIP3 8445 -7.533 -9.238 -1.682 1.00 0.00 WT3 H ATOM 46669 OH2 TIP3 8446 -2.096 -5.733 -0.476 1.00 0.00 WT3 O ATOM 46670 H1 TIP3 8446 2.199 -11.611 6.577 1.00 0.00 WT3 H ATOM 46671 H2 TIP3 8446 -6.405 -32.666 0.118 1.00 0.00 WT3 H ATOM 46672 OH2 TIP3 8447 -2.370 -1.367 -2.057 1.00 0.00 WT3 O ATOM 46673 H1 TIP3 8447 3.531 24.528 10.113 1.00 0.00 WT3 H ATOM 46674 H2 TIP3 8447 -9.639 -9.049 7.818 1.00 0.00 WT3 H ATOM 46675 OH2 TIP3 8448 6.648 0.680 3.168 1.00 0.00 WT3 O ATOM 46676 H1 TIP3 8448 -9.100 16.274 -14.776 1.00 0.00 WT3 H ATOM 46677 H2 TIP3 8448 5.059 10.510 1.805 1.00 0.00 WT3 H ATOM 46678 OH2 TIP3 8450 -2.328 1.424 -4.666 1.00 0.00 WT3 O ATOM 46679 H1 TIP3 8450 -16.657 6.277 -3.482 1.00 0.00 WT3 H ATOM 46680 H2 TIP3 8450 4.039 2.002 -12.044 1.00 0.00 WT3 H ATOM 46681 OH2 TIP3 8451 -0.597 8.140 -3.099 1.00 0.00 WT3 O ATOM 46682 H1 TIP3 8451 -3.463 0.882 -6.651 1.00 0.00 WT3 H ATOM 46683 H2 TIP3 8451 -6.043 4.462 5.894 1.00 0.00 WT3 H ATOM 46684 OH2 TIP3 8453 0.402 0.524 -4.225 1.00 0.00 WT3 O ATOM 46685 H1 TIP3 8453 25.942 5.643 -4.892 1.00 0.00 WT3 H ATOM 46686 H2 TIP3 8453 2.009 -15.044 -10.725 1.00 0.00 WT3 H ATOM 46687 OH2 TIP3 8455 -7.085 2.428 -1.650 1.00 0.00 WT3 O ATOM 46688 H1 TIP3 8455 -9.702 3.530 2.345 1.00 0.00 WT3 H ATOM 46689 H2 TIP3 8455 -5.490 3.566 0.761 1.00 0.00 WT3 H ATOM 46690 OH2 TIP3 8456 -2.252 -4.147 1.550 1.00 0.00 WT3 O ATOM 46691 H1 TIP3 8456 -7.019 -1.622 1.388 1.00 0.00 WT3 H ATOM 46692 H2 TIP3 8456 -17.826 5.546 18.559 1.00 0.00 WT3 H ATOM 46693 OH2 TIP3 8457 4.364 0.554 2.454 1.00 0.00 WT3 O ATOM 46694 H1 TIP3 8457 25.429 -12.269 9.353 1.00 0.00 WT3 H ATOM 46695 H2 TIP3 8457 6.979 27.467 -12.791 1.00 0.00 WT3 H ATOM 46696 OH2 TIP3 8458 -3.929 -1.991 1.744 1.00 0.00 WT3 O ATOM 46697 H1 TIP3 8458 -1.321 0.629 -3.007 1.00 0.00 WT3 H ATOM 46698 H2 TIP3 8458 -1.101 2.162 -3.006 1.00 0.00 WT3 H ATOM 46699 OH2 TIP3 8459 1.100 -0.666 1.026 1.00 0.00 WT3 O ATOM 46700 H1 TIP3 8459 -3.805 4.413 3.211 1.00 0.00 WT3 H ATOM 46701 H2 TIP3 8459 -1.489 16.689 5.036 1.00 0.00 WT3 H ATOM 46702 OH2 TIP3 8461 1.523 -7.723 6.456 1.00 0.00 WT3 O ATOM 46703 H1 TIP3 8461 9.193 12.767 33.799 1.00 0.00 WT3 H ATOM 46704 H2 TIP3 8461 -10.006 -9.154 3.008 1.00 0.00 WT3 H ATOM 46705 OH2 TIP3 8462 1.427 -3.421 1.257 1.00 0.00 WT3 O ATOM 46706 H1 TIP3 8462 0.251 15.602 -1.089 1.00 0.00 WT3 H ATOM 46707 H2 TIP3 8462 3.362 3.406 3.803 1.00 0.00 WT3 H ATOM 46708 OH2 TIP3 8463 3.195 -2.559 -0.579 1.00 0.00 WT3 O ATOM 46709 H1 TIP3 8463 -10.046 7.420 -15.221 1.00 0.00 WT3 H ATOM 46710 H2 TIP3 8463 1.846 -33.077 6.853 1.00 0.00 WT3 H ATOM 46711 OH2 TIP3 8464 -1.300 -0.437 -3.113 1.00 0.00 WT3 O ATOM 46712 H1 TIP3 8464 0.638 -11.322 -3.195 1.00 0.00 WT3 H ATOM 46713 H2 TIP3 8464 -2.981 17.796 -0.041 1.00 0.00 WT3 H ATOM 46714 OH2 TIP3 8465 -0.969 1.631 0.815 1.00 0.00 WT3 O ATOM 46715 H1 TIP3 8465 -8.061 -0.283 3.095 1.00 0.00 WT3 H ATOM 46716 H2 TIP3 8465 18.265 4.046 -6.917 1.00 0.00 WT3 H ATOM 46717 OH2 TIP3 8466 1.075 0.727 1.700 1.00 0.00 WT3 O ATOM 46718 H1 TIP3 8466 -36.966 -1.271 -6.611 1.00 0.00 WT3 H ATOM 46719 H2 TIP3 8466 18.040 0.055 -11.431 1.00 0.00 WT3 H ATOM 46720 OH2 TIP3 8467 2.585 5.334 -0.473 1.00 0.00 WT3 O ATOM 46721 H1 TIP3 8467 11.379 6.806 -20.098 1.00 0.00 WT3 H ATOM 46722 H2 TIP3 8467 2.241 3.914 28.941 1.00 0.00 WT3 H ATOM 46723 OH2 TIP3 8468 -0.760 -5.473 -0.211 1.00 0.00 WT3 O ATOM 46724 H1 TIP3 8468 14.948 -9.538 20.675 1.00 0.00 WT3 H ATOM 46725 H2 TIP3 8468 -11.031 -5.236 -13.223 1.00 0.00 WT3 H ATOM 46726 OH2 TIP3 8469 4.781 0.454 -1.923 1.00 0.00 WT3 O ATOM 46727 H1 TIP3 8469 -14.119 -18.423 -12.165 1.00 0.00 WT3 H ATOM 46728 H2 TIP3 8469 29.358 -13.702 0.493 1.00 0.00 WT3 H ATOM 46729 OH2 TIP3 8470 1.998 -0.892 1.665 1.00 0.00 WT3 O ATOM 46730 H1 TIP3 8470 0.508 1.833 -2.256 1.00 0.00 WT3 H ATOM 46731 H2 TIP3 8470 7.322 2.599 -0.459 1.00 0.00 WT3 H ATOM 46732 OH2 TIP3 8472 3.493 -0.972 0.663 1.00 0.00 WT3 O ATOM 46733 H1 TIP3 8472 15.811 14.814 6.793 1.00 0.00 WT3 H ATOM 46734 H2 TIP3 8472 18.299 18.487 1.581 1.00 0.00 WT3 H ATOM 46735 OH2 TIP3 8473 -1.631 1.888 -2.099 1.00 0.00 WT3 O ATOM 46736 H1 TIP3 8473 -8.242 3.540 -1.707 1.00 0.00 WT3 H ATOM 46737 H2 TIP3 8473 13.770 5.773 -2.008 1.00 0.00 WT3 H ATOM 46738 OH2 TIP3 8474 -1.414 -3.429 3.458 1.00 0.00 WT3 O ATOM 46739 H1 TIP3 8474 2.598 5.696 4.142 1.00 0.00 WT3 H ATOM 46740 H2 TIP3 8474 2.286 23.364 -3.724 1.00 0.00 WT3 H ATOM 46741 OH2 TIP3 8475 -3.219 -0.913 3.162 1.00 0.00 WT3 O ATOM 46742 H1 TIP3 8475 -16.817 -4.985 13.134 1.00 0.00 WT3 H ATOM 46743 H2 TIP3 8475 18.276 6.248 -19.720 1.00 0.00 WT3 H ATOM 46744 OH2 TIP3 8476 -0.896 -2.598 -0.053 1.00 0.00 WT3 O ATOM 46745 H1 TIP3 8476 -4.094 -7.107 0.652 1.00 0.00 WT3 H ATOM 46746 H2 TIP3 8476 2.040 2.155 4.532 1.00 0.00 WT3 H ATOM 46747 OH2 TIP3 8477 1.599 4.596 0.035 1.00 0.00 WT3 O ATOM 46748 H1 TIP3 8477 -3.223 -12.653 -9.842 1.00 0.00 WT3 H ATOM 46749 H2 TIP3 8477 1.510 12.844 8.026 1.00 0.00 WT3 H ATOM 46750 OH2 TIP3 8478 -2.969 3.803 -3.741 1.00 0.00 WT3 O ATOM 46751 H1 TIP3 8478 -5.872 21.356 -11.334 1.00 0.00 WT3 H ATOM 46752 H2 TIP3 8478 -5.088 -4.725 -2.635 1.00 0.00 WT3 H ATOM 46753 OH2 TIP3 8479 8.690 -7.644 0.775 1.00 0.00 WT3 O ATOM 46754 H1 TIP3 8479 -18.520 -3.286 9.355 1.00 0.00 WT3 H ATOM 46755 H2 TIP3 8479 21.417 23.090 21.288 1.00 0.00 WT3 H ATOM 46756 OH2 TIP3 8480 -3.337 2.888 -3.845 1.00 0.00 WT3 O ATOM 46757 H1 TIP3 8480 -1.542 -5.884 -9.980 1.00 0.00 WT3 H ATOM 46758 H2 TIP3 8480 4.470 -3.521 -6.007 1.00 0.00 WT3 H ATOM 46759 OH2 TIP3 8481 2.867 1.678 1.311 1.00 0.00 WT3 O ATOM 46760 H1 TIP3 8481 -16.173 -3.805 15.359 1.00 0.00 WT3 H ATOM 46761 H2 TIP3 8481 0.510 -6.591 2.955 1.00 0.00 WT3 H ATOM 46762 OH2 TIP3 8482 -2.513 2.873 2.222 1.00 0.00 WT3 O ATOM 46763 H1 TIP3 8482 0.031 4.171 -10.733 1.00 0.00 WT3 H ATOM 46764 H2 TIP3 8482 7.096 0.825 1.602 1.00 0.00 WT3 H ATOM 46765 OH2 TIP3 8483 4.133 -0.002 -0.222 1.00 0.00 WT3 O ATOM 46766 H1 TIP3 8483 4.071 -0.161 1.791 1.00 0.00 WT3 H ATOM 46767 H2 TIP3 8483 3.519 2.048 -0.379 1.00 0.00 WT3 H ATOM 46768 OH2 TIP3 8484 -1.634 3.352 -1.444 1.00 0.00 WT3 O ATOM 46769 H1 TIP3 8484 -0.708 2.596 -2.541 1.00 0.00 WT3 H ATOM 46770 H2 TIP3 8484 -14.471 15.046 4.639 1.00 0.00 WT3 H ATOM 46771 OH2 TIP3 8485 4.830 -1.296 7.243 1.00 0.00 WT3 O ATOM 46772 H1 TIP3 8485 3.571 3.215 14.303 1.00 0.00 WT3 H ATOM 46773 H2 TIP3 8485 -5.979 17.510 10.043 1.00 0.00 WT3 H ATOM 46774 OH2 TIP3 8486 1.745 4.278 3.656 1.00 0.00 WT3 O ATOM 46775 H1 TIP3 8486 -3.045 30.633 12.747 1.00 0.00 WT3 H ATOM 46776 H2 TIP3 8486 9.016 -5.278 2.283 1.00 0.00 WT3 H ATOM 46777 OH2 TIP3 8487 -5.600 1.366 1.243 1.00 0.00 WT3 O ATOM 46778 H1 TIP3 8487 -3.098 -10.637 6.402 1.00 0.00 WT3 H ATOM 46779 H2 TIP3 8487 2.094 -14.016 13.221 1.00 0.00 WT3 H ATOM 46780 OH2 TIP3 8489 1.263 -9.297 4.643 1.00 0.00 WT3 O ATOM 46781 H1 TIP3 8489 6.696 -5.254 1.594 1.00 0.00 WT3 H ATOM 46782 H2 TIP3 8489 3.832 -4.077 8.348 1.00 0.00 WT3 H ATOM 46783 OH2 TIP3 8490 4.481 -6.122 2.493 1.00 0.00 WT3 O ATOM 46784 H1 TIP3 8490 -5.218 6.856 -17.185 1.00 0.00 WT3 H ATOM 46785 H2 TIP3 8490 -5.528 7.148 11.265 1.00 0.00 WT3 H ATOM 46786 OH2 TIP3 8491 -0.342 4.651 5.982 1.00 0.00 WT3 O ATOM 46787 H1 TIP3 8491 -3.879 -24.098 11.853 1.00 0.00 WT3 H ATOM 46788 H2 TIP3 8491 -16.343 7.728 -16.513 1.00 0.00 WT3 H ATOM 46789 OH2 TIP3 8492 -0.442 6.099 2.600 1.00 0.00 WT3 O ATOM 46790 H1 TIP3 8492 -14.034 -3.659 5.168 1.00 0.00 WT3 H ATOM 46791 H2 TIP3 8492 11.932 -0.722 11.404 1.00 0.00 WT3 H ATOM 46792 OH2 TIP3 8494 1.070 5.300 -3.868 1.00 0.00 WT3 O ATOM 46793 H1 TIP3 8494 -2.761 21.320 -9.939 1.00 0.00 WT3 H ATOM 46794 H2 TIP3 8494 0.073 -22.132 12.572 1.00 0.00 WT3 H ATOM 46795 OH2 TIP3 8495 5.686 -1.543 -2.218 1.00 0.00 WT3 O ATOM 46796 H1 TIP3 8495 -1.371 1.792 11.632 1.00 0.00 WT3 H ATOM 46797 H2 TIP3 8495 22.261 -4.753 -4.807 1.00 0.00 WT3 H ATOM 46798 OH2 TIP3 8496 -1.822 -0.539 0.073 1.00 0.00 WT3 O ATOM 46799 H1 TIP3 8496 22.636 -9.822 -1.831 1.00 0.00 WT3 H ATOM 46800 H2 TIP3 8496 -10.215 -4.257 1.372 1.00 0.00 WT3 H ATOM 46801 OH2 TIP3 8497 1.805 0.078 3.623 1.00 0.00 WT3 O ATOM 46802 H1 TIP3 8497 9.409 9.297 -17.350 1.00 0.00 WT3 H ATOM 46803 H2 TIP3 8497 -11.763 17.348 2.401 1.00 0.00 WT3 H ATOM 46804 OH2 TIP3 8498 6.121 -0.034 -4.576 1.00 0.00 WT3 O ATOM 46805 H1 TIP3 8498 5.617 -0.154 -2.253 1.00 0.00 WT3 H ATOM 46806 H2 TIP3 8498 -9.144 18.840 18.098 1.00 0.00 WT3 H ATOM 46807 OH2 TIP3 8499 3.173 -3.197 -0.523 1.00 0.00 WT3 O ATOM 46808 H1 TIP3 8499 5.651 2.844 -9.343 1.00 0.00 WT3 H ATOM 46809 H2 TIP3 8499 -3.171 8.500 13.120 1.00 0.00 WT3 H ATOM 46810 OH2 TIP3 8501 3.206 -0.166 -5.339 1.00 0.00 WT3 O ATOM 46811 H1 TIP3 8501 13.911 15.026 -14.378 1.00 0.00 WT3 H ATOM 46812 H2 TIP3 8501 0.734 4.081 15.378 1.00 0.00 WT3 H ATOM 46813 OH2 TIP3 8502 1.182 -1.496 1.731 1.00 0.00 WT3 O ATOM 46814 H1 TIP3 8502 12.139 -19.423 2.366 1.00 0.00 WT3 H ATOM 46815 H2 TIP3 8502 -7.560 5.524 17.171 1.00 0.00 WT3 H ATOM 46816 OH2 TIP3 8503 -0.602 0.910 -1.479 1.00 0.00 WT3 O ATOM 46817 H1 TIP3 8503 -13.452 9.283 5.441 1.00 0.00 WT3 H ATOM 46818 H2 TIP3 8503 20.031 6.808 -12.603 1.00 0.00 WT3 H ATOM 46819 OH2 TIP3 8505 -1.509 -3.756 0.660 1.00 0.00 WT3 O ATOM 46820 H1 TIP3 8505 -3.901 1.990 24.301 1.00 0.00 WT3 H ATOM 46821 H2 TIP3 8505 0.934 -5.132 -9.287 1.00 0.00 WT3 H ATOM 46822 OH2 TIP3 8507 -3.935 -3.888 2.199 1.00 0.00 WT3 O ATOM 46823 H1 TIP3 8507 9.925 9.887 -3.527 1.00 0.00 WT3 H ATOM 46824 H2 TIP3 8507 -1.406 -9.917 8.787 1.00 0.00 WT3 H ATOM 46825 OH2 TIP3 8508 -3.522 1.532 -3.518 1.00 0.00 WT3 O ATOM 46826 H1 TIP3 8508 8.390 -23.447 6.382 1.00 0.00 WT3 H ATOM 46827 H2 TIP3 8508 -22.796 8.403 7.549 1.00 0.00 WT3 H ATOM 46828 OH2 TIP3 8509 0.564 -1.172 -11.715 1.00 0.00 WT3 O ATOM 46829 H1 TIP3 8509 13.698 14.534 -9.343 1.00 0.00 WT3 H ATOM 46830 H2 TIP3 8509 -17.229 4.023 0.327 1.00 0.00 WT3 H ATOM 46831 OH2 TIP3 8510 -1.011 2.851 4.914 1.00 0.00 WT3 O ATOM 46832 H1 TIP3 8510 -5.134 1.063 10.084 1.00 0.00 WT3 H ATOM 46833 H2 TIP3 8510 16.603 -0.201 -17.851 1.00 0.00 WT3 H ATOM 46834 OH2 TIP3 8512 -1.942 -3.515 -2.138 1.00 0.00 WT3 O ATOM 46835 H1 TIP3 8512 26.546 -28.947 22.852 1.00 0.00 WT3 H ATOM 46836 H2 TIP3 8512 -9.511 0.628 -11.925 1.00 0.00 WT3 H ATOM 46837 OH2 TIP3 8513 3.285 1.271 -0.703 1.00 0.00 WT3 O ATOM 46838 H1 TIP3 8513 1.672 17.869 28.057 1.00 0.00 WT3 H ATOM 46839 H2 TIP3 8513 8.104 -2.490 3.542 1.00 0.00 WT3 H ATOM 46840 OH2 TIP3 8514 -1.366 2.894 -3.973 1.00 0.00 WT3 O ATOM 46841 H1 TIP3 8514 -6.966 7.001 -2.404 1.00 0.00 WT3 H ATOM 46842 H2 TIP3 8514 14.471 -19.059 -3.364 1.00 0.00 WT3 H ATOM 46843 OH2 TIP3 8515 -3.198 2.088 -6.371 1.00 0.00 WT3 O ATOM 46844 H1 TIP3 8515 7.609 14.613 -6.826 1.00 0.00 WT3 H ATOM 46845 H2 TIP3 8515 5.909 9.214 -30.863 1.00 0.00 WT3 H ATOM 46846 OH2 TIP3 8516 -4.773 4.221 -0.070 1.00 0.00 WT3 O ATOM 46847 H1 TIP3 8516 -7.775 4.274 -11.370 1.00 0.00 WT3 H ATOM 46848 H2 TIP3 8516 6.649 0.304 -4.404 1.00 0.00 WT3 H ATOM 46849 OH2 TIP3 8517 -0.944 0.549 3.284 1.00 0.00 WT3 O ATOM 46850 H1 TIP3 8517 -3.851 2.450 7.121 1.00 0.00 WT3 H ATOM 46851 H2 TIP3 8517 2.106 0.225 2.715 1.00 0.00 WT3 H ATOM 46852 OH2 TIP3 8518 -1.421 0.305 -2.253 1.00 0.00 WT3 O ATOM 46853 H1 TIP3 8518 9.287 6.824 -2.650 1.00 0.00 WT3 H ATOM 46854 H2 TIP3 8518 5.778 -16.824 -15.382 1.00 0.00 WT3 H ATOM 46855 OH2 TIP3 8519 -2.838 6.076 -5.514 1.00 0.00 WT3 O ATOM 46856 H1 TIP3 8519 27.127 10.376 -15.490 1.00 0.00 WT3 H ATOM 46857 H2 TIP3 8519 -26.906 5.693 -10.149 1.00 0.00 WT3 H ATOM 46858 OH2 TIP3 8520 -2.681 0.659 1.157 1.00 0.00 WT3 O ATOM 46859 H1 TIP3 8520 2.017 -9.497 23.581 1.00 0.00 WT3 H ATOM 46860 H2 TIP3 8520 0.442 -8.687 -0.134 1.00 0.00 WT3 H ATOM 46861 OH2 TIP3 8521 -1.912 -2.745 5.128 1.00 0.00 WT3 O ATOM 46862 H1 TIP3 8521 2.108 5.227 -4.393 1.00 0.00 WT3 H ATOM 46863 H2 TIP3 8521 -3.147 -0.023 2.865 1.00 0.00 WT3 H ATOM 46864 OH2 TIP3 8522 -7.563 3.244 -7.422 1.00 0.00 WT3 O ATOM 46865 H1 TIP3 8522 -8.612 5.335 -5.729 1.00 0.00 WT3 H ATOM 46866 H2 TIP3 8522 -0.892 3.598 -5.447 1.00 0.00 WT3 H ATOM 46867 OH2 TIP3 8523 -1.076 4.255 2.749 1.00 0.00 WT3 O ATOM 46868 H1 TIP3 8523 5.865 10.599 20.003 1.00 0.00 WT3 H ATOM 46869 H2 TIP3 8523 12.498 14.538 -8.145 1.00 0.00 WT3 H ATOM 46870 OH2 TIP3 8524 6.046 -7.832 2.452 1.00 0.00 WT3 O ATOM 46871 H1 TIP3 8524 3.032 -11.057 10.168 1.00 0.00 WT3 H ATOM 46872 H2 TIP3 8524 4.090 -33.272 5.236 1.00 0.00 WT3 H ATOM 46873 OH2 TIP3 8525 0.562 4.453 0.522 1.00 0.00 WT3 O ATOM 46874 H1 TIP3 8525 -5.857 -7.157 -4.835 1.00 0.00 WT3 H ATOM 46875 H2 TIP3 8525 15.103 1.179 13.690 1.00 0.00 WT3 H ATOM 46876 OH2 TIP3 8526 -4.309 -8.603 -4.384 1.00 0.00 WT3 O ATOM 46877 H1 TIP3 8526 -14.697 -5.902 8.098 1.00 0.00 WT3 H ATOM 46878 H2 TIP3 8526 -3.494 -8.515 -5.023 1.00 0.00 WT3 H ATOM 46879 OH2 TIP3 8527 -2.810 -3.653 2.184 1.00 0.00 WT3 O ATOM 46880 H1 TIP3 8527 -16.192 1.687 -18.803 1.00 0.00 WT3 H ATOM 46881 H2 TIP3 8527 -11.036 -1.260 10.857 1.00 0.00 WT3 H ATOM 46882 OH2 TIP3 8528 2.518 -5.367 0.786 1.00 0.00 WT3 O ATOM 46883 H1 TIP3 8528 -18.326 -3.652 5.652 1.00 0.00 WT3 H ATOM 46884 H2 TIP3 8528 22.143 -37.133 15.584 1.00 0.00 WT3 H ATOM 46885 OH2 TIP3 8529 -4.546 0.712 -1.652 1.00 0.00 WT3 O ATOM 46886 H1 TIP3 8529 26.751 -12.697 27.321 1.00 0.00 WT3 H ATOM 46887 H2 TIP3 8529 8.419 0.259 4.821 1.00 0.00 WT3 H ATOM 46888 OH2 TIP3 8530 -2.947 -1.746 0.574 1.00 0.00 WT3 O ATOM 46889 H1 TIP3 8530 -22.912 17.673 -5.899 1.00 0.00 WT3 H ATOM 46890 H2 TIP3 8530 2.649 -2.264 21.228 1.00 0.00 WT3 H ATOM 46891 OH2 TIP3 8531 2.344 -1.829 2.635 1.00 0.00 WT3 O ATOM 46892 H1 TIP3 8531 -22.238 -12.591 14.729 1.00 0.00 WT3 H ATOM 46893 H2 TIP3 8531 15.509 -8.853 -3.856 1.00 0.00 WT3 H ATOM 46894 OH2 TIP3 8532 -0.618 -2.301 -0.609 1.00 0.00 WT3 O ATOM 46895 H1 TIP3 8532 -13.552 -12.976 -1.516 1.00 0.00 WT3 H ATOM 46896 H2 TIP3 8532 8.074 -2.175 -4.988 1.00 0.00 WT3 H ATOM 46897 OH2 TIP3 8534 -6.448 -1.799 -0.849 1.00 0.00 WT3 O ATOM 46898 H1 TIP3 8534 6.429 -5.066 -7.769 1.00 0.00 WT3 H ATOM 46899 H2 TIP3 8534 -11.589 15.390 -4.930 1.00 0.00 WT3 H ATOM 46900 OH2 TIP3 8535 -2.308 2.447 2.635 1.00 0.00 WT3 O ATOM 46901 H1 TIP3 8535 -7.785 1.773 19.727 1.00 0.00 WT3 H ATOM 46902 H2 TIP3 8535 -2.307 -4.521 6.735 1.00 0.00 WT3 H ATOM 46903 OH2 TIP3 8536 1.078 -3.946 -2.686 1.00 0.00 WT3 O ATOM 46904 H1 TIP3 8536 2.226 -0.272 0.944 1.00 0.00 WT3 H ATOM 46905 H2 TIP3 8536 0.127 -5.398 -5.812 1.00 0.00 WT3 H ATOM 46906 OH2 TIP3 8538 2.636 0.087 0.411 1.00 0.00 WT3 O ATOM 46907 H1 TIP3 8538 -28.861 -13.080 -3.244 1.00 0.00 WT3 H ATOM 46908 H2 TIP3 8538 -1.493 -1.273 -4.001 1.00 0.00 WT3 H ATOM 46909 OH2 TIP3 8539 -1.217 1.192 -5.932 1.00 0.00 WT3 O ATOM 46910 H1 TIP3 8539 -20.863 -4.825 6.933 1.00 0.00 WT3 H ATOM 46911 H2 TIP3 8539 17.147 12.067 -13.682 1.00 0.00 WT3 H ATOM 46912 OH2 TIP3 8541 -0.613 1.151 7.407 1.00 0.00 WT3 O ATOM 46913 H1 TIP3 8541 16.563 -17.846 16.325 1.00 0.00 WT3 H ATOM 46914 H2 TIP3 8541 -10.882 24.784 -10.608 1.00 0.00 WT3 H ATOM 46915 OH2 TIP3 8542 -4.241 -0.801 2.358 1.00 0.00 WT3 O ATOM 46916 H1 TIP3 8542 -12.176 -5.899 7.475 1.00 0.00 WT3 H ATOM 46917 H2 TIP3 8542 -14.973 -7.840 5.371 1.00 0.00 WT3 H ATOM 46918 OH2 TIP3 8543 1.516 -1.695 -1.143 1.00 0.00 WT3 O ATOM 46919 H1 TIP3 8543 3.604 -0.314 2.858 1.00 0.00 WT3 H ATOM 46920 H2 TIP3 8543 9.029 -2.380 -3.133 1.00 0.00 WT3 H ATOM 46921 OH2 TIP3 8544 4.446 5.106 -6.985 1.00 0.00 WT3 O ATOM 46922 H1 TIP3 8544 1.026 7.641 23.759 1.00 0.00 WT3 H ATOM 46923 H2 TIP3 8544 23.589 37.682 4.706 1.00 0.00 WT3 H ATOM 46924 OH2 TIP3 8545 -5.902 2.821 0.930 1.00 0.00 WT3 O ATOM 46925 H1 TIP3 8545 0.199 -9.961 -14.112 1.00 0.00 WT3 H ATOM 46926 H2 TIP3 8545 -2.189 18.946 -5.527 1.00 0.00 WT3 H ATOM 46927 OH2 TIP3 8546 11.287 -0.658 1.887 1.00 0.00 WT3 O ATOM 46928 H1 TIP3 8546 9.767 6.989 -12.138 1.00 0.00 WT3 H ATOM 46929 H2 TIP3 8546 -10.135 -6.054 -7.645 1.00 0.00 WT3 H ATOM 46930 OH2 TIP3 8547 -4.532 -1.223 -2.740 1.00 0.00 WT3 O ATOM 46931 H1 TIP3 8547 -10.571 1.879 -8.525 1.00 0.00 WT3 H ATOM 46932 H2 TIP3 8547 -20.853 4.566 3.262 1.00 0.00 WT3 H ATOM 46933 OH2 TIP3 8548 -4.966 2.346 0.502 1.00 0.00 WT3 O ATOM 46934 H1 TIP3 8548 -22.714 -2.738 4.299 1.00 0.00 WT3 H ATOM 46935 H2 TIP3 8548 -11.116 0.634 -1.253 1.00 0.00 WT3 H ATOM 46936 OH2 TIP3 8549 -1.071 2.713 -5.959 1.00 0.00 WT3 O ATOM 46937 H1 TIP3 8549 0.607 -0.670 -9.488 1.00 0.00 WT3 H ATOM 46938 H2 TIP3 8549 10.050 -10.126 -8.002 1.00 0.00 WT3 H ATOM 46939 OH2 TIP3 8550 4.170 1.392 -2.991 1.00 0.00 WT3 O ATOM 46940 H1 TIP3 8550 -11.892 -2.822 11.079 1.00 0.00 WT3 H ATOM 46941 H2 TIP3 8550 8.679 -20.223 -8.535 1.00 0.00 WT3 H ATOM 46942 OH2 TIP3 8552 1.540 4.876 3.316 1.00 0.00 WT3 O ATOM 46943 H1 TIP3 8552 -1.462 -2.449 -0.672 1.00 0.00 WT3 H ATOM 46944 H2 TIP3 8552 -2.839 -3.003 -4.197 1.00 0.00 WT3 H ATOM 46945 OH2 TIP3 8554 -5.271 0.062 -2.363 1.00 0.00 WT3 O ATOM 46946 H1 TIP3 8554 -7.489 -2.793 0.450 1.00 0.00 WT3 H ATOM 46947 H2 TIP3 8554 -0.934 -0.661 -1.801 1.00 0.00 WT3 H ATOM 46948 OH2 TIP3 8555 -3.638 2.483 1.539 1.00 0.00 WT3 O ATOM 46949 H1 TIP3 8555 1.378 3.210 -2.306 1.00 0.00 WT3 H ATOM 46950 H2 TIP3 8555 30.750 5.338 -18.183 1.00 0.00 WT3 H ATOM 46951 OH2 TIP3 8556 -4.528 -0.127 1.070 1.00 0.00 WT3 O ATOM 46952 H1 TIP3 8556 2.038 5.789 33.975 1.00 0.00 WT3 H ATOM 46953 H2 TIP3 8556 -7.335 -0.900 -1.318 1.00 0.00 WT3 H ATOM 46954 OH2 TIP3 8557 7.258 4.308 5.220 1.00 0.00 WT3 O ATOM 46955 H1 TIP3 8557 -1.772 4.707 13.964 1.00 0.00 WT3 H ATOM 46956 H2 TIP3 8557 8.368 8.687 1.812 1.00 0.00 WT3 H ATOM 46957 OH2 TIP3 8558 -1.643 6.213 6.188 1.00 0.00 WT3 O ATOM 46958 H1 TIP3 8558 6.751 14.969 4.054 1.00 0.00 WT3 H ATOM 46959 H2 TIP3 8558 -19.550 19.432 8.510 1.00 0.00 WT3 H ATOM 46960 OH2 TIP3 8560 3.265 9.330 -2.545 1.00 0.00 WT3 O ATOM 46961 H1 TIP3 8560 12.669 11.734 7.675 1.00 0.00 WT3 H ATOM 46962 H2 TIP3 8560 6.457 6.950 -15.559 1.00 0.00 WT3 H ATOM 46963 OH2 TIP3 8561 3.037 -3.597 3.000 1.00 0.00 WT3 O ATOM 46964 H1 TIP3 8561 -1.056 -2.897 1.789 1.00 0.00 WT3 H ATOM 46965 H2 TIP3 8561 -22.282 -13.723 22.668 1.00 0.00 WT3 H ATOM 46966 OH2 TIP3 8562 -5.740 4.111 4.281 1.00 0.00 WT3 O ATOM 46967 H1 TIP3 8562 -4.187 -19.882 -5.476 1.00 0.00 WT3 H ATOM 46968 H2 TIP3 8562 -5.850 23.065 -16.318 1.00 0.00 WT3 H ATOM 46969 OH2 TIP3 8564 -2.505 6.473 -3.887 1.00 0.00 WT3 O ATOM 46970 H1 TIP3 8564 -10.373 1.538 -11.700 1.00 0.00 WT3 H ATOM 46971 H2 TIP3 8564 -5.300 3.796 -9.432 1.00 0.00 WT3 H ATOM 46972 OH2 TIP3 8565 0.225 0.623 0.698 1.00 0.00 WT3 O ATOM 46973 H1 TIP3 8565 0.048 3.910 2.142 1.00 0.00 WT3 H ATOM 46974 H2 TIP3 8565 -2.039 -10.612 1.538 1.00 0.00 WT3 H ATOM 46975 OH2 TIP3 8566 1.932 -6.564 1.423 1.00 0.00 WT3 O ATOM 46976 H1 TIP3 8566 -14.642 -2.964 17.543 1.00 0.00 WT3 H ATOM 46977 H2 TIP3 8566 3.727 -31.450 1.345 1.00 0.00 WT3 H ATOM 46978 OH2 TIP3 8567 5.759 2.276 5.006 1.00 0.00 WT3 O ATOM 46979 H1 TIP3 8567 5.818 0.844 17.751 1.00 0.00 WT3 H ATOM 46980 H2 TIP3 8567 18.792 4.655 4.459 1.00 0.00 WT3 H ATOM 46981 OH2 TIP3 8571 0.662 1.958 4.593 1.00 0.00 WT3 O ATOM 46982 H1 TIP3 8571 3.727 2.799 16.511 1.00 0.00 WT3 H ATOM 46983 H2 TIP3 8571 -2.353 -2.284 -15.390 1.00 0.00 WT3 H ATOM 46984 OH2 TIP3 8573 -4.238 -3.273 -2.818 1.00 0.00 WT3 O ATOM 46985 H1 TIP3 8573 3.150 -1.530 -0.281 1.00 0.00 WT3 H ATOM 46986 H2 TIP3 8573 -1.388 -7.544 -23.750 1.00 0.00 WT3 H ATOM 46987 OH2 TIP3 8574 -5.963 -3.918 7.434 1.00 0.00 WT3 O ATOM 46988 H1 TIP3 8574 7.171 -0.673 10.110 1.00 0.00 WT3 H ATOM 46989 H2 TIP3 8574 -4.816 0.063 15.219 1.00 0.00 WT3 H ATOM 46990 OH2 TIP3 8577 -5.614 7.119 10.233 1.00 0.00 WT3 O ATOM 46991 H1 TIP3 8577 -1.755 -5.290 -13.964 1.00 0.00 WT3 H ATOM 46992 H2 TIP3 8577 9.105 -4.372 23.818 1.00 0.00 WT3 H ATOM 46993 OH2 TIP3 8579 2.879 -3.870 0.471 1.00 0.00 WT3 O ATOM 46994 H1 TIP3 8579 3.993 6.295 6.864 1.00 0.00 WT3 H ATOM 46995 H2 TIP3 8579 16.678 6.031 -2.517 1.00 0.00 WT3 H ATOM 46996 OH2 TIP3 8581 -1.855 -1.425 -0.813 1.00 0.00 WT3 O ATOM 46997 H1 TIP3 8581 -3.678 -13.196 -6.188 1.00 0.00 WT3 H ATOM 46998 H2 TIP3 8581 -0.903 3.320 1.632 1.00 0.00 WT3 H ATOM 46999 OH2 TIP3 8582 -6.741 -5.954 2.726 1.00 0.00 WT3 O ATOM 47000 H1 TIP3 8582 18.234 -27.326 -8.822 1.00 0.00 WT3 H ATOM 47001 H2 TIP3 8582 -7.878 -7.697 6.477 1.00 0.00 WT3 H ATOM 47002 OH2 TIP3 8583 3.177 5.184 -5.155 1.00 0.00 WT3 O ATOM 47003 H1 TIP3 8583 -13.338 29.886 12.956 1.00 0.00 WT3 H ATOM 47004 H2 TIP3 8583 -6.763 -13.960 9.897 1.00 0.00 WT3 H ATOM 47005 OH2 TIP3 8584 -4.774 -0.596 6.613 1.00 0.00 WT3 O ATOM 47006 H1 TIP3 8584 21.880 -11.503 5.389 1.00 0.00 WT3 H ATOM 47007 H2 TIP3 8584 -3.668 8.595 15.153 1.00 0.00 WT3 H ATOM 47008 OH2 TIP3 8585 -0.799 -4.144 2.576 1.00 0.00 WT3 O ATOM 47009 H1 TIP3 8585 -7.572 -7.876 -6.038 1.00 0.00 WT3 H ATOM 47010 H2 TIP3 8585 9.568 1.083 2.772 1.00 0.00 WT3 H ATOM 47011 OH2 TIP3 8590 -5.742 5.816 -3.880 1.00 0.00 WT3 O ATOM 47012 H1 TIP3 8590 -5.557 -14.217 -10.317 1.00 0.00 WT3 H ATOM 47013 H2 TIP3 8590 6.732 -11.957 1.095 1.00 0.00 WT3 H ATOM 47014 OH2 TIP3 8591 4.967 2.226 6.706 1.00 0.00 WT3 O ATOM 47015 H1 TIP3 8591 3.367 -1.109 5.373 1.00 0.00 WT3 H ATOM 47016 H2 TIP3 8591 5.966 21.482 18.555 1.00 0.00 WT3 H ATOM 47017 OH2 TIP3 8594 3.175 -7.098 0.101 1.00 0.00 WT3 O ATOM 47018 H1 TIP3 8594 10.192 1.217 4.891 1.00 0.00 WT3 H ATOM 47019 H2 TIP3 8594 -6.095 -11.327 1.194 1.00 0.00 WT3 H ATOM 47020 OH2 TIP3 8598 -1.571 5.241 -0.084 1.00 0.00 WT3 O ATOM 47021 H1 TIP3 8598 20.571 11.202 -1.251 1.00 0.00 WT3 H ATOM 47022 H2 TIP3 8598 -14.499 2.271 -8.683 1.00 0.00 WT3 H ATOM 47023 OH2 TIP3 8600 -10.850 -1.752 -0.511 1.00 0.00 WT3 O ATOM 47024 H1 TIP3 8600 -8.819 -1.289 -2.680 1.00 0.00 WT3 H ATOM 47025 H2 TIP3 8600 -9.310 1.469 -1.903 1.00 0.00 WT3 H ATOM 47026 OH2 TIP3 8602 0.041 -3.648 3.666 1.00 0.00 WT3 O ATOM 47027 H1 TIP3 8602 -8.260 -13.964 -6.310 1.00 0.00 WT3 H ATOM 47028 H2 TIP3 8602 7.519 -15.162 2.408 1.00 0.00 WT3 H ATOM 47029 OH2 TIP3 8605 4.384 -3.090 5.302 1.00 0.00 WT3 O ATOM 47030 H1 TIP3 8605 -7.187 21.019 10.028 1.00 0.00 WT3 H ATOM 47031 H2 TIP3 8605 3.687 -3.282 5.202 1.00 0.00 WT3 H ATOM 47032 OH2 TIP3 8614 7.385 5.680 3.590 1.00 0.00 WT3 O ATOM 47033 H1 TIP3 8614 4.756 -1.228 -7.715 1.00 0.00 WT3 H ATOM 47034 H2 TIP3 8614 -6.647 22.472 -7.525 1.00 0.00 WT3 H ATOM 47035 OH2 TIP3 8615 -8.525 3.736 -1.567 1.00 0.00 WT3 O ATOM 47036 H1 TIP3 8615 -14.297 -13.257 -11.084 1.00 0.00 WT3 H ATOM 47037 H2 TIP3 8615 1.409 6.548 -9.146 1.00 0.00 WT3 H ATOM 47038 OH2 TIP3 8621 -0.491 7.734 2.130 1.00 0.00 WT3 O ATOM 47039 H1 TIP3 8621 17.974 19.079 10.721 1.00 0.00 WT3 H ATOM 47040 H2 TIP3 8621 -4.368 -0.365 -24.801 1.00 0.00 WT3 H ATOM 47041 OH2 TIP3 8625 5.309 -0.553 3.841 1.00 0.00 WT3 O ATOM 47042 H1 TIP3 8625 1.639 -4.379 7.039 1.00 0.00 WT3 H ATOM 47043 H2 TIP3 8625 4.862 0.702 2.050 1.00 0.00 WT3 H ATOM 47044 OH2 TIP3 8627 -2.849 -5.181 -5.977 1.00 0.00 WT3 O ATOM 47045 H1 TIP3 8627 -10.963 6.172 13.389 1.00 0.00 WT3 H ATOM 47046 H2 TIP3 8627 7.866 -9.649 3.437 1.00 0.00 WT3 H ATOM 47047 OH2 TIP3 8635 0.442 -9.826 -1.465 1.00 0.00 WT3 O ATOM 47048 H1 TIP3 8635 -16.108 -8.708 0.190 1.00 0.00 WT3 H ATOM 47049 H2 TIP3 8635 4.322 1.557 -12.117 1.00 0.00 WT3 H ATOM 47050 OH2 TIP3 8637 4.233 2.926 2.376 1.00 0.00 WT3 O ATOM 47051 H1 TIP3 8637 -10.074 12.975 -2.610 1.00 0.00 WT3 H ATOM 47052 H2 TIP3 8637 6.335 -14.324 -4.015 1.00 0.00 WT3 H ATOM 47053 OH2 TIP3 8638 -3.082 1.978 -1.801 1.00 0.00 WT3 O ATOM 47054 H1 TIP3 8638 -13.666 -10.370 -6.864 1.00 0.00 WT3 H ATOM 47055 H2 TIP3 8638 6.224 6.188 -17.872 1.00 0.00 WT3 H ATOM 47056 OH2 TIP3 8640 -1.953 -2.408 -1.295 1.00 0.00 WT3 O ATOM 47057 H1 TIP3 8640 -3.892 15.873 18.568 1.00 0.00 WT3 H ATOM 47058 H2 TIP3 8640 6.722 -18.434 1.930 1.00 0.00 WT3 H ATOM 47059 OH2 TIP3 8645 -1.725 1.578 -8.032 1.00 0.00 WT3 O ATOM 47060 H1 TIP3 8645 2.104 4.156 0.762 1.00 0.00 WT3 H ATOM 47061 H2 TIP3 8645 -6.713 8.345 -8.481 1.00 0.00 WT3 H ATOM 47062 OH2 TIP3 8647 7.295 3.418 0.114 1.00 0.00 WT3 O ATOM 47063 H1 TIP3 8647 3.379 13.942 -7.870 1.00 0.00 WT3 H ATOM 47064 H2 TIP3 8647 15.542 -8.120 -11.162 1.00 0.00 WT3 H ATOM 47065 OH2 TIP3 8649 -0.566 1.548 -0.638 1.00 0.00 WT3 O ATOM 47066 H1 TIP3 8649 8.513 -1.192 12.353 1.00 0.00 WT3 H ATOM 47067 H2 TIP3 8649 8.235 3.736 -2.109 1.00 0.00 WT3 H ATOM 47068 OH2 TIP3 8669 3.741 2.314 -5.938 1.00 0.00 WT3 O ATOM 47069 H1 TIP3 8669 -1.977 -3.321 5.209 1.00 0.00 WT3 H ATOM 47070 H2 TIP3 8669 -6.514 1.909 -16.761 1.00 0.00 WT3 H ATOM 47071 OH2 TIP3 8753 -0.047 0.671 -0.503 1.00 0.00 WT3 O ATOM 47072 H1 TIP3 8753 4.806 6.516 -38.160 1.00 0.00 WT3 H ATOM 47073 H2 TIP3 8753 16.237 1.120 -1.602 1.00 0.00 WT3 H ATOM 47074 OH2 TIP3 8760 4.932 -3.006 -3.576 1.00 0.00 WT3 O ATOM 47075 H1 TIP3 8760 -12.044 -5.886 5.681 1.00 0.00 WT3 H ATOM 47076 H2 TIP3 8760 22.841 12.285 -5.099 1.00 0.00 WT3 H ATOM 47077 OH2 TIP3 8762 1.309 -1.327 -4.390 1.00 0.00 WT3 O ATOM 47078 H1 TIP3 8762 0.770 -6.067 -8.523 1.00 0.00 WT3 H ATOM 47079 H2 TIP3 8762 -2.385 1.409 6.655 1.00 0.00 WT3 H ATOM 47080 OH2 TIP3 8777 -0.903 1.750 4.464 1.00 0.00 WT3 O ATOM 47081 H1 TIP3 8777 6.096 10.538 16.428 1.00 0.00 WT3 H ATOM 47082 H2 TIP3 8777 -5.931 -8.514 -9.253 1.00 0.00 WT3 H ATOM 47083 OH2 TIP3 8779 -3.686 4.720 -6.051 1.00 0.00 WT3 O ATOM 47084 H1 TIP3 8779 6.247 11.597 14.462 1.00 0.00 WT3 H ATOM 47085 H2 TIP3 8779 24.401 -6.025 -17.716 1.00 0.00 WT3 H ATOM 47086 OH2 TIP3 8780 2.598 0.655 -4.078 1.00 0.00 WT3 O ATOM 47087 H1 TIP3 8780 13.221 8.401 2.454 1.00 0.00 WT3 H ATOM 47088 H2 TIP3 8780 4.612 -12.678 7.210 1.00 0.00 WT3 H ATOM 47089 OH2 TIP3 8782 -4.868 0.058 4.138 1.00 0.00 WT3 O ATOM 47090 H1 TIP3 8782 12.820 18.323 -7.327 1.00 0.00 WT3 H ATOM 47091 H2 TIP3 8782 13.955 15.005 -6.318 1.00 0.00 WT3 H ATOM 47092 OH2 TIP3 8790 -8.891 0.436 -3.235 1.00 0.00 WT3 O ATOM 47093 H1 TIP3 8790 -2.788 -4.870 -0.339 1.00 0.00 WT3 H ATOM 47094 H2 TIP3 8790 -16.373 8.446 3.837 1.00 0.00 WT3 H ATOM 47095 OH2 TIP3 8792 1.246 -7.566 -8.580 1.00 0.00 WT3 O ATOM 47096 H1 TIP3 8792 5.748 -6.441 6.589 1.00 0.00 WT3 H ATOM 47097 H2 TIP3 8792 -3.760 -4.344 -9.938 1.00 0.00 WT3 H ATOM 47098 OH2 TIP3 8794 -4.219 7.925 -0.746 1.00 0.00 WT3 O ATOM 47099 H1 TIP3 8794 -11.758 -0.506 -9.855 1.00 0.00 WT3 H ATOM 47100 H2 TIP3 8794 -4.986 6.725 -2.257 1.00 0.00 WT3 H ATOM 47101 OH2 TIP3 8799 4.906 4.770 -4.398 1.00 0.00 WT3 O ATOM 47102 H1 TIP3 8799 -1.791 4.839 -2.275 1.00 0.00 WT3 H ATOM 47103 H2 TIP3 8799 -34.951 -18.498 4.752 1.00 0.00 WT3 H ATOM 47104 OH2 TIP3 8801 -1.166 -3.072 2.523 1.00 0.00 WT3 O ATOM 47105 H1 TIP3 8801 -5.570 -23.836 3.745 1.00 0.00 WT3 H ATOM 47106 H2 TIP3 8801 -17.715 -20.626 -3.003 1.00 0.00 WT3 H ATOM 47107 OH2 TIP3 8802 1.800 1.833 2.330 1.00 0.00 WT3 O ATOM 47108 H1 TIP3 8802 -10.630 16.824 4.448 1.00 0.00 WT3 H ATOM 47109 H2 TIP3 8802 -11.442 -15.128 9.028 1.00 0.00 WT3 H ATOM 47110 OH2 TIP3 8803 -2.605 -2.975 3.170 1.00 0.00 WT3 O ATOM 47111 H1 TIP3 8803 -29.760 13.315 -3.144 1.00 0.00 WT3 H ATOM 47112 H2 TIP3 8803 -2.644 18.454 22.809 1.00 0.00 WT3 H ATOM 47113 OH2 TIP3 8807 0.959 5.289 -0.389 1.00 0.00 WT3 O ATOM 47114 H1 TIP3 8807 6.690 7.506 0.444 1.00 0.00 WT3 H ATOM 47115 H2 TIP3 8807 -2.764 -1.281 -0.794 1.00 0.00 WT3 H ATOM 47116 OH2 TIP3 8813 -1.276 -7.977 -2.609 1.00 0.00 WT3 O ATOM 47117 H1 TIP3 8813 -4.481 -14.420 -19.083 1.00 0.00 WT3 H ATOM 47118 H2 TIP3 8813 18.256 -0.336 -0.379 1.00 0.00 WT3 H ATOM 47119 OH2 TIP3 8816 2.364 5.862 -1.293 1.00 0.00 WT3 O ATOM 47120 H1 TIP3 8816 15.733 12.135 -12.882 1.00 0.00 WT3 H ATOM 47121 H2 TIP3 8816 -13.557 3.545 5.526 1.00 0.00 WT3 H ATOM 47122 OH2 TIP3 8820 -0.404 0.809 -3.421 1.00 0.00 WT3 O ATOM 47123 H1 TIP3 8820 -17.498 -15.420 -7.881 1.00 0.00 WT3 H ATOM 47124 H2 TIP3 8820 11.205 -5.896 19.400 1.00 0.00 WT3 H ATOM 47125 OH2 TIP3 8822 -0.594 7.389 -6.916 1.00 0.00 WT3 O ATOM 47126 H1 TIP3 8822 8.998 -2.060 -4.212 1.00 0.00 WT3 H ATOM 47127 H2 TIP3 8822 19.270 -14.499 5.835 1.00 0.00 WT3 H ATOM 47128 OH2 TIP3 8823 -2.511 4.142 1.773 1.00 0.00 WT3 O ATOM 47129 H1 TIP3 8823 1.219 12.876 -0.196 1.00 0.00 WT3 H ATOM 47130 H2 TIP3 8823 -24.691 22.693 2.753 1.00 0.00 WT3 H ATOM 47131 OH2 TIP3 8824 -3.112 1.585 -3.468 1.00 0.00 WT3 O ATOM 47132 H1 TIP3 8824 -2.669 -0.821 14.620 1.00 0.00 WT3 H ATOM 47133 H2 TIP3 8824 3.589 15.991 2.753 1.00 0.00 WT3 H ATOM 47134 OH2 TIP3 8829 4.198 -2.640 0.938 1.00 0.00 WT3 O ATOM 47135 H1 TIP3 8829 -3.401 -38.091 -4.202 1.00 0.00 WT3 H ATOM 47136 H2 TIP3 8829 -7.126 9.627 28.398 1.00 0.00 WT3 H ATOM 47137 OH2 TIP3 8830 -6.702 -2.209 3.820 1.00 0.00 WT3 O ATOM 47138 H1 TIP3 8830 -1.837 0.381 -0.671 1.00 0.00 WT3 H ATOM 47139 H2 TIP3 8830 -4.236 10.091 6.262 1.00 0.00 WT3 H ATOM 47140 OH2 TIP3 8831 3.118 0.076 -0.888 1.00 0.00 WT3 O ATOM 47141 H1 TIP3 8831 12.946 -1.297 -11.251 1.00 0.00 WT3 H ATOM 47142 H2 TIP3 8831 -6.555 -0.788 9.694 1.00 0.00 WT3 H ATOM 47143 OH2 TIP3 8833 1.652 1.631 5.506 1.00 0.00 WT3 O ATOM 47144 H1 TIP3 8833 0.857 2.566 14.437 1.00 0.00 WT3 H ATOM 47145 H2 TIP3 8833 5.297 1.836 -0.134 1.00 0.00 WT3 H ATOM 47146 OH2 TIP3 8836 4.616 6.940 -3.863 1.00 0.00 WT3 O ATOM 47147 H1 TIP3 8836 7.102 10.957 -9.032 1.00 0.00 WT3 H ATOM 47148 H2 TIP3 8836 0.163 1.905 -0.335 1.00 0.00 WT3 H ATOM 47149 OH2 TIP3 8837 1.491 2.298 0.820 1.00 0.00 WT3 O ATOM 47150 H1 TIP3 8837 24.364 2.236 -18.285 1.00 0.00 WT3 H ATOM 47151 H2 TIP3 8837 18.818 0.529 -12.381 1.00 0.00 WT3 H ATOM 47152 OH2 TIP3 8838 -1.519 -3.176 -5.293 1.00 0.00 WT3 O ATOM 47153 H1 TIP3 8838 15.005 9.291 -22.925 1.00 0.00 WT3 H ATOM 47154 H2 TIP3 8838 -13.651 -13.829 7.492 1.00 0.00 WT3 H ATOM 47155 OH2 TIP3 8840 -1.034 -0.630 -6.568 1.00 0.00 WT3 O ATOM 47156 H1 TIP3 8840 5.329 -11.542 4.533 1.00 0.00 WT3 H ATOM 47157 H2 TIP3 8840 -3.320 10.921 -6.487 1.00 0.00 WT3 H ATOM 47158 OH2 TIP3 8842 -4.441 4.580 0.501 1.00 0.00 WT3 O ATOM 47159 H1 TIP3 8842 20.134 -31.981 -9.348 1.00 0.00 WT3 H ATOM 47160 H2 TIP3 8842 21.497 -19.464 8.511 1.00 0.00 WT3 H ATOM 47161 OH2 TIP3 8843 2.135 2.401 4.390 1.00 0.00 WT3 O ATOM 47162 H1 TIP3 8843 32.044 12.677 3.412 1.00 0.00 WT3 H ATOM 47163 H2 TIP3 8843 -22.408 -2.645 12.622 1.00 0.00 WT3 H ATOM 47164 OH2 TIP3 8844 -3.845 2.330 -1.442 1.00 0.00 WT3 O ATOM 47165 H1 TIP3 8844 8.352 -11.763 5.287 1.00 0.00 WT3 H ATOM 47166 H2 TIP3 8844 9.921 36.333 2.551 1.00 0.00 WT3 H ATOM 47167 OH2 TIP3 8845 -0.781 -1.801 -2.377 1.00 0.00 WT3 O ATOM 47168 H1 TIP3 8845 -12.005 1.109 4.585 1.00 0.00 WT3 H ATOM 47169 H2 TIP3 8845 4.037 7.686 -10.772 1.00 0.00 WT3 H ATOM 47170 OH2 TIP3 8846 -3.832 0.858 -0.108 1.00 0.00 WT3 O ATOM 47171 H1 TIP3 8846 5.262 4.664 19.938 1.00 0.00 WT3 H ATOM 47172 H2 TIP3 8846 -8.710 -4.604 7.054 1.00 0.00 WT3 H ATOM 47173 OH2 TIP3 8847 -1.222 -3.032 1.612 1.00 0.00 WT3 O ATOM 47174 H1 TIP3 8847 -2.455 -2.064 -0.531 1.00 0.00 WT3 H ATOM 47175 H2 TIP3 8847 -6.576 -5.282 2.960 1.00 0.00 WT3 H ATOM 47176 OH2 TIP3 8848 5.144 1.826 4.152 1.00 0.00 WT3 O ATOM 47177 H1 TIP3 8848 2.828 14.311 0.318 1.00 0.00 WT3 H ATOM 47178 H2 TIP3 8848 9.816 6.081 16.135 1.00 0.00 WT3 H ATOM 47179 OH2 TIP3 8849 -7.507 3.672 -1.406 1.00 0.00 WT3 O ATOM 47180 H1 TIP3 8849 -4.317 9.875 -17.604 1.00 0.00 WT3 H ATOM 47181 H2 TIP3 8849 -10.937 14.953 21.356 1.00 0.00 WT3 H ATOM 47182 OH2 TIP3 8852 1.414 1.952 -0.039 1.00 0.00 WT3 O ATOM 47183 H1 TIP3 8852 2.194 -4.495 10.608 1.00 0.00 WT3 H ATOM 47184 H2 TIP3 8852 6.290 4.742 -10.929 1.00 0.00 WT3 H ATOM 47185 OH2 TIP3 8855 4.176 4.738 6.490 1.00 0.00 WT3 O ATOM 47186 H1 TIP3 8855 4.920 16.864 -4.261 1.00 0.00 WT3 H ATOM 47187 H2 TIP3 8855 -15.056 -10.154 0.578 1.00 0.00 WT3 H ATOM 47188 OH2 TIP3 8856 5.374 3.671 -1.351 1.00 0.00 WT3 O ATOM 47189 H1 TIP3 8856 11.245 2.374 -10.825 1.00 0.00 WT3 H ATOM 47190 H2 TIP3 8856 -7.737 4.492 -7.550 1.00 0.00 WT3 H ATOM 47191 OH2 TIP3 8857 1.170 1.602 2.750 1.00 0.00 WT3 O ATOM 47192 H1 TIP3 8857 8.435 0.561 13.591 1.00 0.00 WT3 H ATOM 47193 H2 TIP3 8857 2.958 30.623 6.920 1.00 0.00 WT3 H ATOM 47194 OH2 TIP3 8859 1.348 -2.997 -1.059 1.00 0.00 WT3 O ATOM 47195 H1 TIP3 8859 -12.038 3.553 -14.173 1.00 0.00 WT3 H ATOM 47196 H2 TIP3 8859 11.104 -1.427 3.566 1.00 0.00 WT3 H ATOM 47197 OH2 TIP3 8861 7.057 7.251 0.625 1.00 0.00 WT3 O ATOM 47198 H1 TIP3 8861 23.244 19.478 -5.503 1.00 0.00 WT3 H ATOM 47199 H2 TIP3 8861 -7.062 -1.996 1.082 1.00 0.00 WT3 H ATOM 47200 OH2 TIP3 8863 -0.576 -1.105 -0.329 1.00 0.00 WT3 O ATOM 47201 H1 TIP3 8863 -0.907 -2.769 -5.249 1.00 0.00 WT3 H ATOM 47202 H2 TIP3 8863 0.589 6.691 0.115 1.00 0.00 WT3 H ATOM 47203 OH2 TIP3 8864 1.323 3.659 -0.825 1.00 0.00 WT3 O ATOM 47204 H1 TIP3 8864 6.714 -9.075 9.592 1.00 0.00 WT3 H ATOM 47205 H2 TIP3 8864 8.209 1.791 6.609 1.00 0.00 WT3 H ATOM 47206 OH2 TIP3 8865 -1.022 -5.223 -0.083 1.00 0.00 WT3 O ATOM 47207 H1 TIP3 8865 -8.762 -0.200 2.966 1.00 0.00 WT3 H ATOM 47208 H2 TIP3 8865 3.583 -3.511 1.623 1.00 0.00 WT3 H ATOM 47209 OH2 TIP3 8866 -0.773 -2.903 8.645 1.00 0.00 WT3 O ATOM 47210 H1 TIP3 8866 -4.064 -14.504 10.513 1.00 0.00 WT3 H ATOM 47211 H2 TIP3 8866 18.492 7.470 -1.103 1.00 0.00 WT3 H ATOM 47212 OH2 TIP3 8867 -3.853 2.920 -1.561 1.00 0.00 WT3 O ATOM 47213 H1 TIP3 8867 19.918 0.844 -0.198 1.00 0.00 WT3 H ATOM 47214 H2 TIP3 8867 30.253 -3.449 0.575 1.00 0.00 WT3 H ATOM 47215 OH2 TIP3 8869 -0.481 -4.419 -0.518 1.00 0.00 WT3 O ATOM 47216 H1 TIP3 8869 10.101 21.074 11.184 1.00 0.00 WT3 H ATOM 47217 H2 TIP3 8869 3.504 -22.185 -21.640 1.00 0.00 WT3 H ATOM 47218 OH2 TIP3 8870 -1.444 5.055 0.398 1.00 0.00 WT3 O ATOM 47219 H1 TIP3 8870 -8.966 9.973 -11.803 1.00 0.00 WT3 H ATOM 47220 H2 TIP3 8870 -8.554 6.157 -9.127 1.00 0.00 WT3 H ATOM 47221 OH2 TIP3 8871 0.021 2.760 -3.799 1.00 0.00 WT3 O ATOM 47222 H1 TIP3 8871 -21.581 -11.238 -20.667 1.00 0.00 WT3 H ATOM 47223 H2 TIP3 8871 14.253 7.223 4.582 1.00 0.00 WT3 H ATOM 47224 OH2 TIP3 8878 2.808 -3.451 -0.649 1.00 0.00 WT3 O ATOM 47225 H1 TIP3 8878 7.764 -1.865 2.848 1.00 0.00 WT3 H ATOM 47226 H2 TIP3 8878 5.610 -2.947 2.375 1.00 0.00 WT3 H ATOM 47227 OH2 TIP3 8879 -4.368 -1.757 0.431 1.00 0.00 WT3 O ATOM 47228 H1 TIP3 8879 45.329 -18.597 -19.395 1.00 0.00 WT3 H ATOM 47229 H2 TIP3 8879 2.713 2.265 -5.042 1.00 0.00 WT3 H ATOM 47230 OH2 TIP3 8881 7.548 2.359 -4.135 1.00 0.00 WT3 O ATOM 47231 H1 TIP3 8881 19.797 38.633 2.387 1.00 0.00 WT3 H ATOM 47232 H2 TIP3 8881 7.696 17.897 -4.902 1.00 0.00 WT3 H ATOM 47233 OH2 TIP3 8882 -0.703 -1.542 4.988 1.00 0.00 WT3 O ATOM 47234 H1 TIP3 8882 -4.338 -6.412 -11.723 1.00 0.00 WT3 H ATOM 47235 H2 TIP3 8882 9.599 0.630 19.450 1.00 0.00 WT3 H ATOM 47236 OH2 TIP3 8883 2.309 -6.411 6.167 1.00 0.00 WT3 O ATOM 47237 H1 TIP3 8883 16.808 5.239 -3.657 1.00 0.00 WT3 H ATOM 47238 H2 TIP3 8883 5.563 21.369 -0.089 1.00 0.00 WT3 H ATOM 47239 OH2 TIP3 8884 -6.222 -3.570 -2.274 1.00 0.00 WT3 O ATOM 47240 H1 TIP3 8884 -13.953 1.617 -2.139 1.00 0.00 WT3 H ATOM 47241 H2 TIP3 8884 11.569 -22.730 -5.250 1.00 0.00 WT3 H ATOM 47242 OH2 TIP3 8885 0.982 -7.738 -1.685 1.00 0.00 WT3 O ATOM 47243 H1 TIP3 8885 6.744 -25.664 -17.279 1.00 0.00 WT3 H ATOM 47244 H2 TIP3 8885 -14.525 -19.514 -9.248 1.00 0.00 WT3 H ATOM 47245 OH2 TIP3 8886 -0.529 -1.426 -1.024 1.00 0.00 WT3 O ATOM 47246 H1 TIP3 8886 8.151 -9.160 3.226 1.00 0.00 WT3 H ATOM 47247 H2 TIP3 8886 -8.857 4.165 -4.800 1.00 0.00 WT3 H ATOM 47248 OH2 TIP3 8887 -7.166 3.482 -2.413 1.00 0.00 WT3 O ATOM 47249 H1 TIP3 8887 -0.911 6.720 22.637 1.00 0.00 WT3 H ATOM 47250 H2 TIP3 8887 -7.550 9.002 6.224 1.00 0.00 WT3 H ATOM 47251 OH2 TIP3 8888 -1.331 0.208 2.178 1.00 0.00 WT3 O ATOM 47252 H1 TIP3 8888 -17.813 -8.400 12.047 1.00 0.00 WT3 H ATOM 47253 H2 TIP3 8888 -8.008 5.186 22.404 1.00 0.00 WT3 H ATOM 47254 OH2 TIP3 8893 -1.030 -5.270 0.554 1.00 0.00 WT3 O ATOM 47255 H1 TIP3 8893 17.170 23.147 3.372 1.00 0.00 WT3 H ATOM 47256 H2 TIP3 8893 -3.284 20.424 3.106 1.00 0.00 WT3 H ATOM 47257 OH2 TIP3 8894 -4.886 -5.276 -1.251 1.00 0.00 WT3 O ATOM 47258 H1 TIP3 8894 19.857 -17.090 -6.700 1.00 0.00 WT3 H ATOM 47259 H2 TIP3 8894 4.465 3.954 -7.789 1.00 0.00 WT3 H ATOM 47260 OH2 TIP3 8895 -1.662 -4.358 6.984 1.00 0.00 WT3 O ATOM 47261 H1 TIP3 8895 -18.247 2.591 -6.415 1.00 0.00 WT3 H ATOM 47262 H2 TIP3 8895 23.625 5.325 2.945 1.00 0.00 WT3 H ATOM 47263 OH2 TIP3 8896 6.414 7.203 0.687 1.00 0.00 WT3 O ATOM 47264 H1 TIP3 8896 -16.127 14.986 -1.770 1.00 0.00 WT3 H ATOM 47265 H2 TIP3 8896 0.454 -18.617 29.383 1.00 0.00 WT3 H ATOM 47266 OH2 TIP3 8897 2.427 -2.762 -1.796 1.00 0.00 WT3 O ATOM 47267 H1 TIP3 8897 -19.780 12.076 -13.626 1.00 0.00 WT3 H ATOM 47268 H2 TIP3 8897 -14.071 -2.389 5.234 1.00 0.00 WT3 H ATOM 47269 OH2 TIP3 8898 -7.544 -5.731 0.637 1.00 0.00 WT3 O ATOM 47270 H1 TIP3 8898 -9.090 7.153 -5.398 1.00 0.00 WT3 H ATOM 47271 H2 TIP3 8898 -17.307 -7.968 -18.041 1.00 0.00 WT3 H ATOM 47272 OH2 TIP3 8899 -0.107 -1.632 -4.505 1.00 0.00 WT3 O ATOM 47273 H1 TIP3 8899 -10.035 26.832 -10.488 1.00 0.00 WT3 H ATOM 47274 H2 TIP3 8899 -19.972 -13.790 -27.688 1.00 0.00 WT3 H ATOM 47275 OH2 TIP3 8900 -2.949 -2.773 0.223 1.00 0.00 WT3 O ATOM 47276 H1 TIP3 8900 -6.169 -8.805 1.364 1.00 0.00 WT3 H ATOM 47277 H2 TIP3 8900 -7.458 1.724 0.770 1.00 0.00 WT3 H ATOM 47278 OH2 TIP3 8901 -0.438 2.209 2.481 1.00 0.00 WT3 O ATOM 47279 H1 TIP3 8901 3.664 4.853 4.239 1.00 0.00 WT3 H ATOM 47280 H2 TIP3 8901 2.485 1.814 0.367 1.00 0.00 WT3 H ATOM 47281 OH2 TIP3 8902 -7.780 -2.259 -3.118 1.00 0.00 WT3 O ATOM 47282 H1 TIP3 8902 9.224 -27.574 -6.344 1.00 0.00 WT3 H ATOM 47283 H2 TIP3 8902 -8.123 9.409 -4.907 1.00 0.00 WT3 H ATOM 47284 OH2 TIP3 8903 4.120 -0.988 1.320 1.00 0.00 WT3 O ATOM 47285 H1 TIP3 8903 -7.322 -31.676 0.517 1.00 0.00 WT3 H ATOM 47286 H2 TIP3 8903 -13.280 -22.847 -0.805 1.00 0.00 WT3 H ATOM 47287 OH2 TIP3 8904 3.117 -3.440 -0.098 1.00 0.00 WT3 O ATOM 47288 H1 TIP3 8904 -4.467 -4.762 -8.054 1.00 0.00 WT3 H ATOM 47289 H2 TIP3 8904 -5.682 -7.959 -10.748 1.00 0.00 WT3 H ATOM 47290 OH2 TIP3 8905 6.995 5.355 -0.086 1.00 0.00 WT3 O ATOM 47291 H1 TIP3 8905 16.894 -0.494 -27.286 1.00 0.00 WT3 H ATOM 47292 H2 TIP3 8905 0.791 13.801 11.059 1.00 0.00 WT3 H ATOM 47293 OH2 TIP3 8907 1.911 7.332 4.396 1.00 0.00 WT3 O ATOM 47294 H1 TIP3 8907 -14.230 8.283 15.806 1.00 0.00 WT3 H ATOM 47295 H2 TIP3 8907 19.660 -5.384 -34.337 1.00 0.00 WT3 H ATOM 47296 OH2 TIP3 8910 -6.627 1.834 1.703 1.00 0.00 WT3 O ATOM 47297 H1 TIP3 8910 -8.540 6.540 -6.195 1.00 0.00 WT3 H ATOM 47298 H2 TIP3 8910 -7.840 -7.036 -0.047 1.00 0.00 WT3 H ATOM 47299 OH2 TIP3 8911 -1.916 3.104 -0.686 1.00 0.00 WT3 O ATOM 47300 H1 TIP3 8911 -2.593 1.031 1.085 1.00 0.00 WT3 H ATOM 47301 H2 TIP3 8911 12.995 10.740 -2.290 1.00 0.00 WT3 H ATOM 47302 OH2 TIP3 8912 6.166 2.577 4.144 1.00 0.00 WT3 O ATOM 47303 H1 TIP3 8912 -14.496 11.294 1.713 1.00 0.00 WT3 H ATOM 47304 H2 TIP3 8912 8.246 8.657 3.997 1.00 0.00 WT3 H ATOM 47305 OH2 TIP3 8913 -0.944 -1.175 3.407 1.00 0.00 WT3 O ATOM 47306 H1 TIP3 8913 -3.555 -10.697 15.794 1.00 0.00 WT3 H ATOM 47307 H2 TIP3 8913 -7.407 15.009 11.029 1.00 0.00 WT3 H ATOM 47308 OH2 TIP3 8914 -3.239 -8.134 -3.484 1.00 0.00 WT3 O ATOM 47309 H1 TIP3 8914 19.185 7.308 -0.295 1.00 0.00 WT3 H ATOM 47310 H2 TIP3 8914 -19.148 6.715 9.470 1.00 0.00 WT3 H ATOM 47311 OH2 TIP3 8915 -1.316 -10.144 -0.453 1.00 0.00 WT3 O ATOM 47312 H1 TIP3 8915 0.671 -7.613 -6.726 1.00 0.00 WT3 H ATOM 47313 H2 TIP3 8915 0.404 -6.689 23.920 1.00 0.00 WT3 H ATOM 47314 OH2 TIP3 8917 2.607 0.756 1.885 1.00 0.00 WT3 O ATOM 47315 H1 TIP3 8917 -12.190 -6.475 -3.621 1.00 0.00 WT3 H ATOM 47316 H2 TIP3 8917 -5.430 -4.690 1.134 1.00 0.00 WT3 H ATOM 47317 OH2 TIP3 8918 -3.358 0.128 0.430 1.00 0.00 WT3 O ATOM 47318 H1 TIP3 8918 -2.038 6.898 9.462 1.00 0.00 WT3 H ATOM 47319 H2 TIP3 8918 5.781 -8.059 3.159 1.00 0.00 WT3 H ATOM 47320 OH2 TIP3 8919 -9.905 -2.243 -6.971 1.00 0.00 WT3 O ATOM 47321 H1 TIP3 8919 -21.230 -3.861 -14.956 1.00 0.00 WT3 H ATOM 47322 H2 TIP3 8919 7.881 -6.863 -27.293 1.00 0.00 WT3 H ATOM 47323 OH2 TIP3 8920 3.406 0.026 -1.656 1.00 0.00 WT3 O ATOM 47324 H1 TIP3 8920 4.670 5.444 1.483 1.00 0.00 WT3 H ATOM 47325 H2 TIP3 8920 -2.985 1.110 -5.758 1.00 0.00 WT3 H ATOM 47326 OH2 TIP3 8921 -5.343 4.762 2.904 1.00 0.00 WT3 O ATOM 47327 H1 TIP3 8921 17.004 4.612 18.983 1.00 0.00 WT3 H ATOM 47328 H2 TIP3 8921 -5.950 -5.537 -14.005 1.00 0.00 WT3 H ATOM 47329 OH2 TIP3 8922 -1.893 3.256 -5.078 1.00 0.00 WT3 O ATOM 47330 H1 TIP3 8922 -23.285 46.968 -10.054 1.00 0.00 WT3 H ATOM 47331 H2 TIP3 8922 8.230 0.619 1.954 1.00 0.00 WT3 H ATOM 47332 OH2 TIP3 8923 0.762 3.664 -3.901 1.00 0.00 WT3 O ATOM 47333 H1 TIP3 8923 5.560 -1.539 2.253 1.00 0.00 WT3 H ATOM 47334 H2 TIP3 8923 -1.096 10.409 0.339 1.00 0.00 WT3 H ATOM 47335 OH2 TIP3 8924 2.118 -3.542 -6.423 1.00 0.00 WT3 O ATOM 47336 H1 TIP3 8924 5.987 -1.890 -1.143 1.00 0.00 WT3 H ATOM 47337 H2 TIP3 8924 7.853 8.987 -6.727 1.00 0.00 WT3 H ATOM 47338 OH2 TIP3 8926 -0.229 3.331 -4.579 1.00 0.00 WT3 O ATOM 47339 H1 TIP3 8926 -4.417 6.866 -0.412 1.00 0.00 WT3 H ATOM 47340 H2 TIP3 8926 0.774 4.297 2.609 1.00 0.00 WT3 H ATOM 47341 OH2 TIP3 8927 -5.788 5.817 -2.537 1.00 0.00 WT3 O ATOM 47342 H1 TIP3 8927 -1.939 13.076 -16.703 1.00 0.00 WT3 H ATOM 47343 H2 TIP3 8927 2.422 -0.786 -16.709 1.00 0.00 WT3 H ATOM 47344 OH2 TIP3 8928 6.247 -7.578 -0.750 1.00 0.00 WT3 O ATOM 47345 H1 TIP3 8928 -19.844 9.502 5.820 1.00 0.00 WT3 H ATOM 47346 H2 TIP3 8928 -15.334 -5.517 6.648 1.00 0.00 WT3 H ATOM 47347 OH2 TIP3 8929 -1.639 1.013 5.147 1.00 0.00 WT3 O ATOM 47348 H1 TIP3 8929 -2.737 -6.410 7.559 1.00 0.00 WT3 H ATOM 47349 H2 TIP3 8929 6.183 1.910 4.201 1.00 0.00 WT3 H ATOM 47350 OH2 TIP3 8930 3.635 -3.705 4.483 1.00 0.00 WT3 O ATOM 47351 H1 TIP3 8930 -16.064 -8.636 -16.378 1.00 0.00 WT3 H ATOM 47352 H2 TIP3 8930 -12.306 5.013 14.868 1.00 0.00 WT3 H ATOM 47353 OH2 TIP3 8931 7.219 -8.330 -2.683 1.00 0.00 WT3 O ATOM 47354 H1 TIP3 8931 14.776 -7.579 -3.799 1.00 0.00 WT3 H ATOM 47355 H2 TIP3 8931 6.535 -11.783 2.082 1.00 0.00 WT3 H ATOM 47356 OH2 TIP3 8932 2.636 4.719 -3.882 1.00 0.00 WT3 O ATOM 47357 H1 TIP3 8932 -1.547 5.226 -8.074 1.00 0.00 WT3 H ATOM 47358 H2 TIP3 8932 -18.738 -11.432 -19.584 1.00 0.00 WT3 H ATOM 47359 OH2 TIP3 8933 -1.335 1.315 0.180 1.00 0.00 WT3 O ATOM 47360 H1 TIP3 8933 -1.909 -9.639 13.502 1.00 0.00 WT3 H ATOM 47361 H2 TIP3 8933 -5.577 -10.296 -19.500 1.00 0.00 WT3 H ATOM 47362 OH2 TIP3 8934 5.036 -4.811 -3.242 1.00 0.00 WT3 O ATOM 47363 H1 TIP3 8934 12.236 -2.004 -0.014 1.00 0.00 WT3 H ATOM 47364 H2 TIP3 8934 -1.482 -8.009 -2.391 1.00 0.00 WT3 H ATOM 47365 OH2 TIP3 8935 2.067 -5.811 -0.987 1.00 0.00 WT3 O ATOM 47366 H1 TIP3 8935 -10.199 15.442 -3.930 1.00 0.00 WT3 H ATOM 47367 H2 TIP3 8935 3.363 -7.018 -1.958 1.00 0.00 WT3 H ATOM 47368 OH2 TIP3 8936 0.526 -0.830 -2.307 1.00 0.00 WT3 O ATOM 47369 H1 TIP3 8936 -3.692 -1.251 0.656 1.00 0.00 WT3 H ATOM 47370 H2 TIP3 8936 2.447 1.541 0.361 1.00 0.00 WT3 H ATOM 47371 OH2 TIP3 8937 -0.300 0.316 5.081 1.00 0.00 WT3 O ATOM 47372 H1 TIP3 8937 2.501 -9.749 6.023 1.00 0.00 WT3 H ATOM 47373 H2 TIP3 8937 1.656 -6.941 -0.008 1.00 0.00 WT3 H ATOM 47374 OH2 TIP3 8938 4.022 0.840 -3.544 1.00 0.00 WT3 O ATOM 47375 H1 TIP3 8938 19.082 -2.469 -14.416 1.00 0.00 WT3 H ATOM 47376 H2 TIP3 8938 -44.503 -13.520 -7.393 1.00 0.00 WT3 H ATOM 47377 OH2 TIP3 8939 -1.216 -4.595 3.588 1.00 0.00 WT3 O ATOM 47378 H1 TIP3 8939 6.779 -20.507 7.174 1.00 0.00 WT3 H ATOM 47379 H2 TIP3 8939 0.672 8.203 14.470 1.00 0.00 WT3 H ATOM 47380 OH2 TIP3 8940 -3.478 0.236 -0.574 1.00 0.00 WT3 O ATOM 47381 H1 TIP3 8940 14.890 0.453 -0.573 1.00 0.00 WT3 H ATOM 47382 H2 TIP3 8940 17.667 8.195 -10.387 1.00 0.00 WT3 H ATOM 47383 OH2 TIP3 8941 1.236 3.235 -1.114 1.00 0.00 WT3 O ATOM 47384 H1 TIP3 8941 1.128 3.723 -0.827 1.00 0.00 WT3 H ATOM 47385 H2 TIP3 8941 -0.208 3.334 0.337 1.00 0.00 WT3 H ATOM 47386 OH2 TIP3 8942 2.819 -7.017 3.403 1.00 0.00 WT3 O ATOM 47387 H1 TIP3 8942 -7.251 -6.415 16.267 1.00 0.00 WT3 H ATOM 47388 H2 TIP3 8942 5.917 -24.280 -0.925 1.00 0.00 WT3 H ATOM 47389 OH2 TIP3 8943 -0.861 -2.956 -0.985 1.00 0.00 WT3 O ATOM 47390 H1 TIP3 8943 0.113 0.327 -16.414 1.00 0.00 WT3 H ATOM 47391 H2 TIP3 8943 -8.317 12.238 -1.138 1.00 0.00 WT3 H ATOM 47392 OH2 TIP3 8944 -0.041 -2.204 0.123 1.00 0.00 WT3 O ATOM 47393 H1 TIP3 8944 10.555 -6.298 -11.000 1.00 0.00 WT3 H ATOM 47394 H2 TIP3 8944 20.732 23.435 -8.024 1.00 0.00 WT3 H ATOM 47395 OH2 TIP3 8945 -1.882 -0.049 6.007 1.00 0.00 WT3 O ATOM 47396 H1 TIP3 8945 -2.315 -16.015 -8.673 1.00 0.00 WT3 H ATOM 47397 H2 TIP3 8945 -4.912 -12.716 15.354 1.00 0.00 WT3 H ATOM 47398 OH2 TIP3 8946 -1.721 -3.014 5.448 1.00 0.00 WT3 O ATOM 47399 H1 TIP3 8946 -10.384 -25.574 18.858 1.00 0.00 WT3 H ATOM 47400 H2 TIP3 8946 13.062 9.076 -6.706 1.00 0.00 WT3 H ATOM 47401 OH2 TIP3 8947 -5.673 -1.137 1.361 1.00 0.00 WT3 O ATOM 47402 H1 TIP3 8947 -14.448 3.133 2.004 1.00 0.00 WT3 H ATOM 47403 H2 TIP3 8947 9.770 -15.086 8.186 1.00 0.00 WT3 H ATOM 47404 OH2 TIP3 8948 -3.104 3.770 4.427 1.00 0.00 WT3 O ATOM 47405 H1 TIP3 8948 12.301 -37.454 -28.672 1.00 0.00 WT3 H ATOM 47406 H2 TIP3 8948 -7.665 2.599 -6.379 1.00 0.00 WT3 H ATOM 47407 OH2 TIP3 8949 3.272 2.957 3.045 1.00 0.00 WT3 O ATOM 47408 H1 TIP3 8949 0.591 -2.282 10.652 1.00 0.00 WT3 H ATOM 47409 H2 TIP3 8949 0.316 4.264 -14.139 1.00 0.00 WT3 H ATOM 47410 OH2 TIP3 8951 6.307 -0.403 2.214 1.00 0.00 WT3 O ATOM 47411 H1 TIP3 8951 -22.159 15.695 0.010 1.00 0.00 WT3 H ATOM 47412 H2 TIP3 8951 3.195 3.336 5.988 1.00 0.00 WT3 H ATOM 47413 OH2 TIP3 8952 5.104 4.572 -1.139 1.00 0.00 WT3 O ATOM 47414 H1 TIP3 8952 -4.761 -11.876 -3.158 1.00 0.00 WT3 H ATOM 47415 H2 TIP3 8952 3.868 20.607 -19.607 1.00 0.00 WT3 H ATOM 47416 OH2 TIP3 8953 0.308 1.309 5.242 1.00 0.00 WT3 O ATOM 47417 H1 TIP3 8953 -6.764 -28.408 -15.666 1.00 0.00 WT3 H ATOM 47418 H2 TIP3 8953 0.434 2.259 6.367 1.00 0.00 WT3 H ATOM 47419 OH2 TIP3 8954 7.310 5.082 -2.977 1.00 0.00 WT3 O ATOM 47420 H1 TIP3 8954 18.475 6.465 -5.687 1.00 0.00 WT3 H ATOM 47421 H2 TIP3 8954 3.844 -2.392 -11.385 1.00 0.00 WT3 H ATOM 47422 OH2 TIP3 8956 0.327 -8.229 -1.049 1.00 0.00 WT3 O ATOM 47423 H1 TIP3 8956 -3.235 -17.914 -27.942 1.00 0.00 WT3 H ATOM 47424 H2 TIP3 8956 -5.777 4.203 -21.072 1.00 0.00 WT3 H ATOM 47425 OH2 TIP3 8958 -2.634 -1.948 3.903 1.00 0.00 WT3 O ATOM 47426 H1 TIP3 8958 3.315 2.715 -4.875 1.00 0.00 WT3 H ATOM 47427 H2 TIP3 8958 -14.565 8.363 8.264 1.00 0.00 WT3 H ATOM 47428 OH2 TIP3 8959 -7.468 -2.018 3.853 1.00 0.00 WT3 O ATOM 47429 H1 TIP3 8959 -12.911 -1.646 6.802 1.00 0.00 WT3 H ATOM 47430 H2 TIP3 8959 10.456 -10.462 6.096 1.00 0.00 WT3 H ATOM 47431 OH2 TIP3 8960 -0.716 1.635 -0.551 1.00 0.00 WT3 O ATOM 47432 H1 TIP3 8960 -5.054 16.958 -0.247 1.00 0.00 WT3 H ATOM 47433 H2 TIP3 8960 -15.603 1.534 13.092 1.00 0.00 WT3 H ATOM 47434 OH2 TIP3 8961 9.483 -3.544 -8.109 1.00 0.00 WT3 O ATOM 47435 H1 TIP3 8961 -2.261 19.835 17.780 1.00 0.00 WT3 H ATOM 47436 H2 TIP3 8961 8.985 -6.213 -8.787 1.00 0.00 WT3 H ATOM 47437 OH2 TIP3 8962 -4.695 -6.053 -3.244 1.00 0.00 WT3 O ATOM 47438 H1 TIP3 8962 4.734 15.636 -20.340 1.00 0.00 WT3 H ATOM 47439 H2 TIP3 8962 -0.982 7.879 -12.194 1.00 0.00 WT3 H ATOM 47440 OH2 TIP3 8965 3.756 8.284 -6.660 1.00 0.00 WT3 O ATOM 47441 H1 TIP3 8965 -17.096 -3.160 -24.788 1.00 0.00 WT3 H ATOM 47442 H2 TIP3 8965 1.598 6.750 -10.236 1.00 0.00 WT3 H ATOM 47443 OH2 TIP3 8966 4.096 0.109 -1.471 1.00 0.00 WT3 O ATOM 47444 H1 TIP3 8966 1.942 6.699 6.824 1.00 0.00 WT3 H ATOM 47445 H2 TIP3 8966 10.901 -14.086 -6.299 1.00 0.00 WT3 H ATOM 47446 OH2 TIP3 8969 -2.035 2.589 -8.172 1.00 0.00 WT3 O ATOM 47447 H1 TIP3 8969 12.782 23.074 -8.589 1.00 0.00 WT3 H ATOM 47448 H2 TIP3 8969 -22.985 23.973 10.363 1.00 0.00 WT3 H ATOM 47449 OH2 TIP3 8970 -5.804 -0.118 -0.809 1.00 0.00 WT3 O ATOM 47450 H1 TIP3 8970 -13.046 -0.472 -6.113 1.00 0.00 WT3 H ATOM 47451 H2 TIP3 8970 -9.601 -5.830 6.028 1.00 0.00 WT3 H ATOM 47452 OH2 TIP3 8971 -1.255 4.694 2.305 1.00 0.00 WT3 O ATOM 47453 H1 TIP3 8971 -18.028 1.930 0.598 1.00 0.00 WT3 H ATOM 47454 H2 TIP3 8971 11.760 -6.683 4.124 1.00 0.00 WT3 H ATOM 47455 OH2 TIP3 8972 2.580 -1.098 -2.698 1.00 0.00 WT3 O ATOM 47456 H1 TIP3 8972 -7.915 3.692 3.742 1.00 0.00 WT3 H ATOM 47457 H2 TIP3 8972 16.119 -3.681 3.949 1.00 0.00 WT3 H ATOM 47458 OH2 TIP3 8973 -4.068 1.881 -3.555 1.00 0.00 WT3 O ATOM 47459 H1 TIP3 8973 -7.073 -0.247 -7.946 1.00 0.00 WT3 H ATOM 47460 H2 TIP3 8973 -12.835 -13.668 -18.912 1.00 0.00 WT3 H ATOM 47461 OH2 TIP3 8974 2.414 -9.013 -6.697 1.00 0.00 WT3 O ATOM 47462 H1 TIP3 8974 -0.569 -16.854 -13.348 1.00 0.00 WT3 H ATOM 47463 H2 TIP3 8974 -4.782 9.029 -26.568 1.00 0.00 WT3 H ATOM 47464 OH2 TIP3 8975 3.261 -1.918 -4.022 1.00 0.00 WT3 O ATOM 47465 H1 TIP3 8975 -10.054 -11.249 3.475 1.00 0.00 WT3 H ATOM 47466 H2 TIP3 8975 15.500 -15.966 2.059 1.00 0.00 WT3 H ATOM 47467 OH2 TIP3 8976 -1.548 1.148 0.418 1.00 0.00 WT3 O ATOM 47468 H1 TIP3 8976 -3.724 -1.046 -4.462 1.00 0.00 WT3 H ATOM 47469 H2 TIP3 8976 3.936 2.816 3.379 1.00 0.00 WT3 H ATOM 47470 OH2 TIP3 8977 2.490 6.725 -0.349 1.00 0.00 WT3 O ATOM 47471 H1 TIP3 8977 -2.767 2.535 0.731 1.00 0.00 WT3 H ATOM 47472 H2 TIP3 8977 -26.109 -17.694 28.895 1.00 0.00 WT3 H ATOM 47473 OH2 TIP3 8978 0.822 -2.825 4.816 1.00 0.00 WT3 O ATOM 47474 H1 TIP3 8978 -20.002 5.381 -0.257 1.00 0.00 WT3 H ATOM 47475 H2 TIP3 8978 -3.906 0.312 -5.248 1.00 0.00 WT3 H ATOM 47476 OH2 TIP3 8979 -1.334 -3.581 0.503 1.00 0.00 WT3 O ATOM 47477 H1 TIP3 8979 7.746 2.241 5.253 1.00 0.00 WT3 H ATOM 47478 H2 TIP3 8979 -8.631 0.019 3.887 1.00 0.00 WT3 H ATOM 47479 OH2 TIP3 8980 -0.087 2.891 4.793 1.00 0.00 WT3 O ATOM 47480 H1 TIP3 8980 0.514 10.618 1.302 1.00 0.00 WT3 H ATOM 47481 H2 TIP3 8980 8.072 -30.806 8.650 1.00 0.00 WT3 H ATOM 47482 OH2 TIP3 8981 1.509 -0.890 -10.697 1.00 0.00 WT3 O ATOM 47483 H1 TIP3 8981 8.058 -7.623 -16.409 1.00 0.00 WT3 H ATOM 47484 H2 TIP3 8981 -0.909 -8.780 -6.324 1.00 0.00 WT3 H ATOM 47485 OH2 TIP3 8982 -1.175 -4.678 -5.188 1.00 0.00 WT3 O ATOM 47486 H1 TIP3 8982 -30.795 4.434 -13.712 1.00 0.00 WT3 H ATOM 47487 H2 TIP3 8982 9.359 11.260 -17.126 1.00 0.00 WT3 H ATOM 47488 OH2 TIP3 8983 7.132 -0.896 -1.192 1.00 0.00 WT3 O ATOM 47489 H1 TIP3 8983 7.612 -5.135 18.637 1.00 0.00 WT3 H ATOM 47490 H2 TIP3 8983 -11.286 13.646 -6.108 1.00 0.00 WT3 H ATOM 47491 OH2 TIP3 8984 3.968 0.533 -6.563 1.00 0.00 WT3 O ATOM 47492 H1 TIP3 8984 4.255 1.189 -5.877 1.00 0.00 WT3 H ATOM 47493 H2 TIP3 8984 -8.754 -11.821 -14.409 1.00 0.00 WT3 H ATOM 47494 OH2 TIP3 8985 -1.138 -1.156 -0.034 1.00 0.00 WT3 O ATOM 47495 H1 TIP3 8985 2.917 2.158 -6.059 1.00 0.00 WT3 H ATOM 47496 H2 TIP3 8985 -8.861 -5.997 8.632 1.00 0.00 WT3 H ATOM 47497 OH2 TIP3 8986 2.822 0.375 -9.323 1.00 0.00 WT3 O ATOM 47498 H1 TIP3 8986 9.928 -9.258 1.357 1.00 0.00 WT3 H ATOM 47499 H2 TIP3 8986 -14.794 -11.268 -16.363 1.00 0.00 WT3 H ATOM 47500 OH2 TIP3 8987 1.071 -1.121 6.205 1.00 0.00 WT3 O ATOM 47501 H1 TIP3 8987 -3.512 5.049 -3.654 1.00 0.00 WT3 H ATOM 47502 H2 TIP3 8987 13.807 12.341 -9.766 1.00 0.00 WT3 H ATOM 47503 OH2 TIP3 8988 2.666 -1.283 0.799 1.00 0.00 WT3 O ATOM 47504 H1 TIP3 8988 -4.937 22.987 -2.923 1.00 0.00 WT3 H ATOM 47505 H2 TIP3 8988 -3.827 8.557 6.976 1.00 0.00 WT3 H ATOM 47506 OH2 TIP3 8992 0.780 -0.504 0.398 1.00 0.00 WT3 O ATOM 47507 H1 TIP3 8992 -14.491 14.861 -14.384 1.00 0.00 WT3 H ATOM 47508 H2 TIP3 8992 2.307 -14.094 -2.620 1.00 0.00 WT3 H ATOM 47509 OH2 TIP3 8993 -1.363 -2.552 4.896 1.00 0.00 WT3 O ATOM 47510 H1 TIP3 8993 0.956 -4.789 3.033 1.00 0.00 WT3 H ATOM 47511 H2 TIP3 8993 2.271 -3.436 5.756 1.00 0.00 WT3 H ATOM 47512 OH2 TIP3 8995 5.954 2.228 -0.582 1.00 0.00 WT3 O ATOM 47513 H1 TIP3 8995 -15.466 13.537 -3.368 1.00 0.00 WT3 H ATOM 47514 H2 TIP3 8995 18.720 17.637 19.135 1.00 0.00 WT3 H ATOM 47515 OH2 TIP3 8996 -1.883 0.546 5.273 1.00 0.00 WT3 O ATOM 47516 H1 TIP3 8996 -3.617 6.154 6.504 1.00 0.00 WT3 H ATOM 47517 H2 TIP3 8996 2.022 -16.961 4.184 1.00 0.00 WT3 H ATOM 47518 OH2 TIP3 8997 0.468 -2.422 -0.967 1.00 0.00 WT3 O ATOM 47519 H1 TIP3 8997 16.449 -15.941 5.711 1.00 0.00 WT3 H ATOM 47520 H2 TIP3 8997 -14.103 -11.125 -12.523 1.00 0.00 WT3 H ATOM 47521 OH2 TIP3 8998 -0.922 -2.410 -6.945 1.00 0.00 WT3 O ATOM 47522 H1 TIP3 8998 -6.749 8.443 -9.636 1.00 0.00 WT3 H ATOM 47523 H2 TIP3 8998 18.026 -40.296 8.443 1.00 0.00 WT3 H ATOM 47524 OH2 TIP3 9001 0.638 0.983 1.247 1.00 0.00 WT3 O ATOM 47525 H1 TIP3 9001 22.169 -1.502 1.871 1.00 0.00 WT3 H ATOM 47526 H2 TIP3 9001 12.940 -1.112 -4.166 1.00 0.00 WT3 H ATOM 47527 OH2 TIP3 9003 1.672 -1.548 3.623 1.00 0.00 WT3 O ATOM 47528 H1 TIP3 9003 6.750 12.101 13.171 1.00 0.00 WT3 H ATOM 47529 H2 TIP3 9003 -19.512 -3.300 -0.680 1.00 0.00 WT3 H ATOM 47530 OH2 TIP3 9004 -2.582 0.433 -2.290 1.00 0.00 WT3 O ATOM 47531 H1 TIP3 9004 -18.287 19.465 3.088 1.00 0.00 WT3 H ATOM 47532 H2 TIP3 9004 -4.483 5.072 0.922 1.00 0.00 WT3 H ATOM 47533 OH2 TIP3 9006 2.003 2.013 -2.835 1.00 0.00 WT3 O ATOM 47534 H1 TIP3 9006 -9.671 14.002 30.298 1.00 0.00 WT3 H ATOM 47535 H2 TIP3 9006 -0.679 -0.106 -5.859 1.00 0.00 WT3 H ATOM 47536 OH2 TIP3 9008 -3.088 -4.022 -4.966 1.00 0.00 WT3 O ATOM 47537 H1 TIP3 9008 5.096 3.058 -3.857 1.00 0.00 WT3 H ATOM 47538 H2 TIP3 9008 -9.954 -1.843 6.147 1.00 0.00 WT3 H ATOM 47539 OH2 TIP3 9009 -0.170 -4.733 1.933 1.00 0.00 WT3 O ATOM 47540 H1 TIP3 9009 -10.087 -4.628 -6.307 1.00 0.00 WT3 H ATOM 47541 H2 TIP3 9009 22.713 -4.721 20.531 1.00 0.00 WT3 H ATOM 47542 OH2 TIP3 9010 3.138 1.864 -3.321 1.00 0.00 WT3 O ATOM 47543 H1 TIP3 9010 4.346 -3.261 -20.826 1.00 0.00 WT3 H ATOM 47544 H2 TIP3 9010 -3.442 -5.245 -17.381 1.00 0.00 WT3 H ATOM 47545 OH2 TIP3 9014 3.217 2.190 -2.723 1.00 0.00 WT3 O ATOM 47546 H1 TIP3 9014 -16.387 -0.918 -6.550 1.00 0.00 WT3 H ATOM 47547 H2 TIP3 9014 -0.860 -1.155 -15.381 1.00 0.00 WT3 H ATOM 47548 OH2 TIP3 9015 -3.674 1.257 2.479 1.00 0.00 WT3 O ATOM 47549 H1 TIP3 9015 -18.242 19.059 -7.123 1.00 0.00 WT3 H ATOM 47550 H2 TIP3 9015 -19.889 -13.128 11.951 1.00 0.00 WT3 H ATOM 47551 OH2 TIP3 9017 0.817 -0.719 -4.966 1.00 0.00 WT3 O ATOM 47552 H1 TIP3 9017 3.535 5.897 2.152 1.00 0.00 WT3 H ATOM 47553 H2 TIP3 9017 6.252 11.391 6.808 1.00 0.00 WT3 H ATOM 47554 OH2 TIP3 9018 -0.519 -1.207 6.685 1.00 0.00 WT3 O ATOM 47555 H1 TIP3 9018 -13.463 8.421 13.300 1.00 0.00 WT3 H ATOM 47556 H2 TIP3 9018 -1.994 -14.783 9.385 1.00 0.00 WT3 H ATOM 47557 OH2 TIP3 9019 0.886 2.667 4.061 1.00 0.00 WT3 O ATOM 47558 H1 TIP3 9019 -11.437 7.421 12.378 1.00 0.00 WT3 H ATOM 47559 H2 TIP3 9019 7.207 -3.943 -0.344 1.00 0.00 WT3 H ATOM 47560 OH2 TIP3 9020 2.065 -3.746 0.198 1.00 0.00 WT3 O ATOM 47561 H1 TIP3 9020 20.496 -22.665 0.200 1.00 0.00 WT3 H ATOM 47562 H2 TIP3 9020 -19.190 16.761 -4.473 1.00 0.00 WT3 H ATOM 47563 OH2 TIP3 9022 5.131 0.609 1.375 1.00 0.00 WT3 O ATOM 47564 H1 TIP3 9022 11.931 20.454 6.133 1.00 0.00 WT3 H ATOM 47565 H2 TIP3 9022 -2.606 -9.970 7.890 1.00 0.00 WT3 H ATOM 47566 OH2 TIP3 9023 -3.364 0.349 -0.263 1.00 0.00 WT3 O ATOM 47567 H1 TIP3 9023 -2.906 0.157 -0.191 1.00 0.00 WT3 H ATOM 47568 H2 TIP3 9023 -2.107 -1.470 -2.731 1.00 0.00 WT3 H ATOM 47569 OH2 TIP3 9024 1.071 4.983 -0.464 1.00 0.00 WT3 O ATOM 47570 H1 TIP3 9024 12.589 -0.489 -17.293 1.00 0.00 WT3 H ATOM 47571 H2 TIP3 9024 -3.814 0.705 0.664 1.00 0.00 WT3 H ATOM 47572 OH2 TIP3 9026 -9.058 -0.683 3.061 1.00 0.00 WT3 O ATOM 47573 H1 TIP3 9026 -19.608 -0.976 4.136 1.00 0.00 WT3 H ATOM 47574 H2 TIP3 9026 -19.536 -1.011 -4.884 1.00 0.00 WT3 H ATOM 47575 OH2 TIP3 9027 -3.245 1.780 -0.232 1.00 0.00 WT3 O ATOM 47576 H1 TIP3 9027 3.554 1.093 4.917 1.00 0.00 WT3 H ATOM 47577 H2 TIP3 9027 2.442 7.541 -3.497 1.00 0.00 WT3 H ATOM 47578 OH2 TIP3 9030 -0.361 -0.523 -4.921 1.00 0.00 WT3 O ATOM 47579 H1 TIP3 9030 9.022 0.843 10.734 1.00 0.00 WT3 H ATOM 47580 H2 TIP3 9030 8.322 5.830 25.084 1.00 0.00 WT3 H ATOM 47581 OH2 TIP3 9039 -0.036 1.450 -0.958 1.00 0.00 WT3 O ATOM 47582 H1 TIP3 9039 1.736 3.338 2.403 1.00 0.00 WT3 H ATOM 47583 H2 TIP3 9039 8.407 5.516 6.161 1.00 0.00 WT3 H ATOM 47584 OH2 TIP3 9041 3.642 2.949 -1.017 1.00 0.00 WT3 O ATOM 47585 H1 TIP3 9041 -0.212 4.220 6.901 1.00 0.00 WT3 H ATOM 47586 H2 TIP3 9041 7.202 -5.425 -1.060 1.00 0.00 WT3 H ATOM 47587 OH2 TIP3 9042 -7.033 -1.278 1.508 1.00 0.00 WT3 O ATOM 47588 H1 TIP3 9042 -5.463 19.799 2.595 1.00 0.00 WT3 H ATOM 47589 H2 TIP3 9042 -8.367 0.269 0.325 1.00 0.00 WT3 H ATOM 47590 OH2 TIP3 9047 -1.353 -6.694 1.898 1.00 0.00 WT3 O ATOM 47591 H1 TIP3 9047 1.343 11.527 22.470 1.00 0.00 WT3 H ATOM 47592 H2 TIP3 9047 13.817 -4.766 18.251 1.00 0.00 WT3 H ATOM 47593 OH2 TIP3 9050 1.253 5.022 0.937 1.00 0.00 WT3 O ATOM 47594 H1 TIP3 9050 3.603 -37.143 15.387 1.00 0.00 WT3 H ATOM 47595 H2 TIP3 9050 18.849 8.376 -1.280 1.00 0.00 WT3 H ATOM 47596 OH2 TIP3 9053 2.802 -3.552 -3.883 1.00 0.00 WT3 O ATOM 47597 H1 TIP3 9053 7.593 -4.894 26.502 1.00 0.00 WT3 H ATOM 47598 H2 TIP3 9053 14.330 5.817 -10.540 1.00 0.00 WT3 H ATOM 47599 OH2 TIP3 9054 -1.278 5.051 -6.101 1.00 0.00 WT3 O ATOM 47600 H1 TIP3 9054 -3.961 9.550 -14.295 1.00 0.00 WT3 H ATOM 47601 H2 TIP3 9054 10.359 -2.772 -3.350 1.00 0.00 WT3 H ATOM 47602 OH2 TIP3 9055 -4.461 3.048 -3.034 1.00 0.00 WT3 O ATOM 47603 H1 TIP3 9055 4.107 -17.660 -4.746 1.00 0.00 WT3 H ATOM 47604 H2 TIP3 9055 -8.486 19.040 -14.849 1.00 0.00 WT3 H ATOM 47605 OH2 TIP3 9057 -6.188 -4.440 -1.008 1.00 0.00 WT3 O ATOM 47606 H1 TIP3 9057 12.321 8.803 -20.049 1.00 0.00 WT3 H ATOM 47607 H2 TIP3 9057 10.588 9.074 -13.375 1.00 0.00 WT3 H ATOM 47608 OH2 TIP3 9060 4.679 -7.857 -0.530 1.00 0.00 WT3 O ATOM 47609 H1 TIP3 9060 -10.426 9.159 -15.931 1.00 0.00 WT3 H ATOM 47610 H2 TIP3 9060 -12.235 14.041 4.248 1.00 0.00 WT3 H ATOM 47611 OH2 TIP3 9061 -0.981 -8.364 2.904 1.00 0.00 WT3 O ATOM 47612 H1 TIP3 9061 1.908 -9.488 1.495 1.00 0.00 WT3 H ATOM 47613 H2 TIP3 9061 -3.862 -2.024 2.182 1.00 0.00 WT3 H ATOM 47614 OH2 TIP3 9063 0.817 -2.545 -2.545 1.00 0.00 WT3 O ATOM 47615 H1 TIP3 9063 -1.755 -5.747 -1.986 1.00 0.00 WT3 H ATOM 47616 H2 TIP3 9063 -2.267 0.710 -1.477 1.00 0.00 WT3 H ATOM 47617 OH2 TIP3 9066 1.771 -2.859 0.217 1.00 0.00 WT3 O ATOM 47618 H1 TIP3 9066 -0.904 -9.543 -3.176 1.00 0.00 WT3 H ATOM 47619 H2 TIP3 9066 8.519 -9.810 -2.447 1.00 0.00 WT3 H ATOM 47620 OH2 TIP3 9067 -1.690 -2.072 5.538 1.00 0.00 WT3 O ATOM 47621 H1 TIP3 9067 0.111 5.932 -1.173 1.00 0.00 WT3 H ATOM 47622 H2 TIP3 9067 -0.452 -10.335 0.834 1.00 0.00 WT3 H ATOM 47623 OH2 TIP3 9070 -4.407 0.879 -0.093 1.00 0.00 WT3 O ATOM 47624 H1 TIP3 9070 -8.017 -2.576 8.053 1.00 0.00 WT3 H ATOM 47625 H2 TIP3 9070 14.467 20.241 -22.940 1.00 0.00 WT3 H ATOM 47626 OH2 TIP3 9072 2.091 -9.714 5.666 1.00 0.00 WT3 O ATOM 47627 H1 TIP3 9072 -17.948 -6.641 8.156 1.00 0.00 WT3 H ATOM 47628 H2 TIP3 9072 5.335 -10.996 -12.904 1.00 0.00 WT3 H ATOM 47629 OH2 TIP3 9082 4.603 0.182 0.886 1.00 0.00 WT3 O ATOM 47630 H1 TIP3 9082 -7.491 10.391 -6.310 1.00 0.00 WT3 H ATOM 47631 H2 TIP3 9082 -16.613 -2.660 1.199 1.00 0.00 WT3 H ATOM 47632 OH2 TIP3 9084 -4.258 3.449 3.018 1.00 0.00 WT3 O ATOM 47633 H1 TIP3 9084 -3.689 7.369 6.762 1.00 0.00 WT3 H ATOM 47634 H2 TIP3 9084 10.504 6.174 12.364 1.00 0.00 WT3 H ATOM 47635 OH2 TIP3 9090 1.387 2.840 0.112 1.00 0.00 WT3 O ATOM 47636 H1 TIP3 9090 3.831 -5.795 -5.006 1.00 0.00 WT3 H ATOM 47637 H2 TIP3 9090 -0.044 4.708 4.897 1.00 0.00 WT3 H ATOM 47638 OH2 TIP3 9094 3.655 -4.863 -0.094 1.00 0.00 WT3 O ATOM 47639 H1 TIP3 9094 2.797 16.499 -7.034 1.00 0.00 WT3 H ATOM 47640 H2 TIP3 9094 -17.519 -9.514 6.037 1.00 0.00 WT3 H ATOM 47641 OH2 TIP3 9096 -0.364 3.001 3.521 1.00 0.00 WT3 O ATOM 47642 H1 TIP3 9096 3.174 7.002 14.237 1.00 0.00 WT3 H ATOM 47643 H2 TIP3 9096 -9.009 -2.052 3.785 1.00 0.00 WT3 H ATOM 47644 OH2 TIP3 9109 -0.730 -2.051 0.260 1.00 0.00 WT3 O ATOM 47645 H1 TIP3 9109 -3.822 -16.236 13.041 1.00 0.00 WT3 H ATOM 47646 H2 TIP3 9109 -16.239 -5.771 -4.044 1.00 0.00 WT3 H ATOM 47647 OH2 TIP3 9117 -2.337 -2.984 0.916 1.00 0.00 WT3 O ATOM 47648 H1 TIP3 9117 3.705 -5.121 1.691 1.00 0.00 WT3 H ATOM 47649 H2 TIP3 9117 1.548 -15.328 0.289 1.00 0.00 WT3 H ATOM 47650 OH2 TIP3 9129 7.650 -2.404 0.921 1.00 0.00 WT3 O ATOM 47651 H1 TIP3 9129 3.805 -7.868 -26.490 1.00 0.00 WT3 H ATOM 47652 H2 TIP3 9129 16.682 -24.283 -3.289 1.00 0.00 WT3 H ATOM 47653 OH2 TIP3 9137 3.160 -1.879 -3.098 1.00 0.00 WT3 O ATOM 47654 H1 TIP3 9137 -5.409 14.139 -0.236 1.00 0.00 WT3 H ATOM 47655 H2 TIP3 9137 -4.974 -8.485 8.368 1.00 0.00 WT3 H ATOM 47656 OH2 TIP3 9146 2.955 -3.309 0.072 1.00 0.00 WT3 O ATOM 47657 H1 TIP3 9146 0.967 -1.143 1.866 1.00 0.00 WT3 H ATOM 47658 H2 TIP3 9146 37.464 -7.560 7.826 1.00 0.00 WT3 H ATOM 47659 OH2 TIP3 9151 -5.627 -0.914 0.904 1.00 0.00 WT3 O ATOM 47660 H1 TIP3 9151 18.331 -3.127 1.225 1.00 0.00 WT3 H ATOM 47661 H2 TIP3 9151 1.136 -10.267 6.100 1.00 0.00 WT3 H ATOM 47662 OH2 TIP3 9165 3.105 -2.487 1.409 1.00 0.00 WT3 O ATOM 47663 H1 TIP3 9165 -2.630 -7.338 -3.089 1.00 0.00 WT3 H ATOM 47664 H2 TIP3 9165 -12.535 16.393 -1.816 1.00 0.00 WT3 H ATOM 47665 OH2 TIP3 9168 -2.381 -1.121 -1.484 1.00 0.00 WT3 O ATOM 47666 H1 TIP3 9168 -8.511 -1.102 3.140 1.00 0.00 WT3 H ATOM 47667 H2 TIP3 9168 -8.089 -0.671 3.274 1.00 0.00 WT3 H ATOM 47668 OH2 TIP3 9169 0.160 5.779 4.907 1.00 0.00 WT3 O ATOM 47669 H1 TIP3 9169 7.424 -0.164 13.086 1.00 0.00 WT3 H ATOM 47670 H2 TIP3 9169 -3.820 11.063 -8.119 1.00 0.00 WT3 H ATOM 47671 OH2 TIP3 9178 -2.761 0.428 -6.877 1.00 0.00 WT3 O ATOM 47672 H1 TIP3 9178 13.585 0.886 -7.612 1.00 0.00 WT3 H ATOM 47673 H2 TIP3 9178 20.796 0.787 -8.221 1.00 0.00 WT3 H ATOM 47674 OH2 TIP3 9201 -5.166 -8.797 -7.489 1.00 0.00 WT3 O ATOM 47675 H1 TIP3 9201 1.015 -0.007 -15.752 1.00 0.00 WT3 H ATOM 47676 H2 TIP3 9201 -22.133 22.718 -19.939 1.00 0.00 WT3 H ATOM 47677 OH2 TIP3 9210 -0.962 2.159 4.624 1.00 0.00 WT3 O ATOM 47678 H1 TIP3 9210 -34.917 0.469 -17.651 1.00 0.00 WT3 H ATOM 47679 H2 TIP3 9210 6.061 7.222 0.275 1.00 0.00 WT3 H ATOM 47680 OH2 TIP3 9212 -8.326 -1.924 -1.726 1.00 0.00 WT3 O ATOM 47681 H1 TIP3 9212 -10.616 -5.021 -2.664 1.00 0.00 WT3 H ATOM 47682 H2 TIP3 9212 -1.063 8.577 -2.432 1.00 0.00 WT3 H ATOM 47683 OH2 TIP3 9214 1.660 0.324 2.086 1.00 0.00 WT3 O ATOM 47684 H1 TIP3 9214 20.180 -1.110 -7.665 1.00 0.00 WT3 H ATOM 47685 H2 TIP3 9214 0.467 5.320 -11.720 1.00 0.00 WT3 H ATOM 47686 OH2 TIP3 9226 1.368 -1.115 -1.013 1.00 0.00 WT3 O ATOM 47687 H1 TIP3 9226 22.552 3.538 6.815 1.00 0.00 WT3 H ATOM 47688 H2 TIP3 9226 21.321 24.998 -4.642 1.00 0.00 WT3 H ATOM 47689 OH2 TIP3 9230 -4.833 -2.129 0.368 1.00 0.00 WT3 O ATOM 47690 H1 TIP3 9230 -4.276 -3.744 0.369 1.00 0.00 WT3 H ATOM 47691 H2 TIP3 9230 15.267 25.793 -17.144 1.00 0.00 WT3 H ATOM 47692 OH2 TIP3 9231 -6.362 -4.086 -2.552 1.00 0.00 WT3 O ATOM 47693 H1 TIP3 9231 -19.673 -17.306 9.026 1.00 0.00 WT3 H ATOM 47694 H2 TIP3 9231 7.452 2.324 -4.146 1.00 0.00 WT3 H ATOM 47695 OH2 TIP3 9234 5.525 -5.028 0.123 1.00 0.00 WT3 O ATOM 47696 H1 TIP3 9234 -5.428 -16.014 -1.857 1.00 0.00 WT3 H ATOM 47697 H2 TIP3 9234 -0.567 6.497 3.012 1.00 0.00 WT3 H ATOM 47698 OH2 TIP3 9240 0.765 1.573 3.229 1.00 0.00 WT3 O ATOM 47699 H1 TIP3 9240 1.641 3.564 5.459 1.00 0.00 WT3 H ATOM 47700 H2 TIP3 9240 14.591 -2.056 -32.038 1.00 0.00 WT3 H ATOM 47701 OH2 TIP3 9241 1.283 -5.277 -5.935 1.00 0.00 WT3 O ATOM 47702 H1 TIP3 9241 4.136 8.375 -12.977 1.00 0.00 WT3 H ATOM 47703 H2 TIP3 9241 -10.997 -0.961 -1.357 1.00 0.00 WT3 H ATOM 47704 OH2 TIP3 9243 -11.131 5.062 -0.603 1.00 0.00 WT3 O ATOM 47705 H1 TIP3 9243 -9.792 0.492 -4.321 1.00 0.00 WT3 H ATOM 47706 H2 TIP3 9243 -12.823 2.729 -0.302 1.00 0.00 WT3 H ATOM 47707 OH2 TIP3 9246 -6.581 0.790 3.630 1.00 0.00 WT3 O ATOM 47708 H1 TIP3 9246 -19.728 8.542 -5.779 1.00 0.00 WT3 H ATOM 47709 H2 TIP3 9246 -10.801 24.482 -0.508 1.00 0.00 WT3 H ATOM 47710 OH2 TIP3 9250 -2.813 6.215 2.809 1.00 0.00 WT3 O ATOM 47711 H1 TIP3 9250 -2.717 5.582 2.637 1.00 0.00 WT3 H ATOM 47712 H2 TIP3 9250 -3.924 5.969 2.116 1.00 0.00 WT3 H ATOM 47713 OH2 TIP3 9252 3.822 2.664 0.315 1.00 0.00 WT3 O ATOM 47714 H1 TIP3 9252 16.218 13.728 13.841 1.00 0.00 WT3 H ATOM 47715 H2 TIP3 9252 24.350 -5.665 10.444 1.00 0.00 WT3 H ATOM 47716 OH2 TIP3 9253 1.884 2.060 3.105 1.00 0.00 WT3 O ATOM 47717 H1 TIP3 9253 3.561 10.455 -18.679 1.00 0.00 WT3 H ATOM 47718 H2 TIP3 9253 -9.867 10.114 9.005 1.00 0.00 WT3 H ATOM 47719 OH2 TIP3 9255 8.590 3.167 -0.736 1.00 0.00 WT3 O ATOM 47720 H1 TIP3 9255 -7.204 -4.338 9.012 1.00 0.00 WT3 H ATOM 47721 H2 TIP3 9255 -3.774 -2.926 -9.331 1.00 0.00 WT3 H ATOM 47722 OH2 TIP3 9257 7.494 1.400 1.066 1.00 0.00 WT3 O ATOM 47723 H1 TIP3 9257 13.010 -6.763 12.238 1.00 0.00 WT3 H ATOM 47724 H2 TIP3 9257 13.834 9.964 2.908 1.00 0.00 WT3 H ATOM 47725 OH2 TIP3 9260 6.333 -4.258 2.488 1.00 0.00 WT3 O ATOM 47726 H1 TIP3 9260 2.743 18.936 -8.501 1.00 0.00 WT3 H ATOM 47727 H2 TIP3 9260 8.637 -8.817 0.690 1.00 0.00 WT3 H ATOM 47728 OH2 TIP3 9261 -4.128 0.978 -6.359 1.00 0.00 WT3 O ATOM 47729 H1 TIP3 9261 7.390 -2.114 -9.722 1.00 0.00 WT3 H ATOM 47730 H2 TIP3 9261 -16.810 14.087 -1.938 1.00 0.00 WT3 H ATOM 47731 OH2 TIP3 4 -0.472 1.284 0.526 1.00 0.00 WT4 O ATOM 47732 H1 TIP3 4 3.109 4.285 5.542 1.00 0.00 WT4 H ATOM 47733 H2 TIP3 4 -0.410 2.810 5.588 1.00 0.00 WT4 H ATOM 47734 OH2 TIP3 5 5.030 2.430 -1.376 1.00 0.00 WT4 O ATOM 47735 H1 TIP3 5 -16.259 6.398 -0.196 1.00 0.00 WT4 H ATOM 47736 H2 TIP3 5 32.237 33.466 9.435 1.00 0.00 WT4 H ATOM 47737 OH2 TIP3 7 -2.508 -3.852 0.998 1.00 0.00 WT4 O ATOM 47738 H1 TIP3 7 -7.335 3.321 -27.846 1.00 0.00 WT4 H ATOM 47739 H2 TIP3 7 2.056 -35.110 1.637 1.00 0.00 WT4 H ATOM 47740 OH2 TIP3 11 -2.002 0.605 2.700 1.00 0.00 WT4 O ATOM 47741 H1 TIP3 11 -10.428 -0.514 -21.502 1.00 0.00 WT4 H ATOM 47742 H2 TIP3 11 0.203 -5.429 9.114 1.00 0.00 WT4 H ATOM 47743 OH2 TIP3 21 -0.904 1.610 -1.603 1.00 0.00 WT4 O ATOM 47744 H1 TIP3 21 -10.606 -0.953 -16.301 1.00 0.00 WT4 H ATOM 47745 H2 TIP3 21 5.195 3.091 -0.457 1.00 0.00 WT4 H ATOM 47746 OH2 TIP3 22 0.237 -2.972 0.562 1.00 0.00 WT4 O ATOM 47747 H1 TIP3 22 -7.528 15.083 -7.580 1.00 0.00 WT4 H ATOM 47748 H2 TIP3 22 0.760 -7.646 -8.184 1.00 0.00 WT4 H ATOM 47749 OH2 TIP3 23 -1.652 0.855 1.515 1.00 0.00 WT4 O ATOM 47750 H1 TIP3 23 11.196 1.755 -24.753 1.00 0.00 WT4 H ATOM 47751 H2 TIP3 23 26.855 -6.222 8.173 1.00 0.00 WT4 H ATOM 47752 OH2 TIP3 24 1.151 -1.515 -3.889 1.00 0.00 WT4 O ATOM 47753 H1 TIP3 24 -19.014 -8.594 -1.819 1.00 0.00 WT4 H ATOM 47754 H2 TIP3 24 29.349 -2.811 -5.368 1.00 0.00 WT4 H ATOM 47755 OH2 TIP3 25 5.172 4.694 -1.430 1.00 0.00 WT4 O ATOM 47756 H1 TIP3 25 5.805 -8.448 -12.026 1.00 0.00 WT4 H ATOM 47757 H2 TIP3 25 6.009 -0.171 -6.315 1.00 0.00 WT4 H ATOM 47758 OH2 TIP3 27 -0.856 0.393 3.568 1.00 0.00 WT4 O ATOM 47759 H1 TIP3 27 6.377 -8.958 16.363 1.00 0.00 WT4 H ATOM 47760 H2 TIP3 27 -13.389 -6.466 6.496 1.00 0.00 WT4 H ATOM 47761 OH2 TIP3 29 -8.797 -0.417 -2.488 1.00 0.00 WT4 O ATOM 47762 H1 TIP3 29 8.959 -3.577 -9.818 1.00 0.00 WT4 H ATOM 47763 H2 TIP3 29 -9.279 23.016 10.951 1.00 0.00 WT4 H ATOM 47764 OH2 TIP3 31 -4.299 -4.135 -2.752 1.00 0.00 WT4 O ATOM 47765 H1 TIP3 31 13.333 -7.395 -12.654 1.00 0.00 WT4 H ATOM 47766 H2 TIP3 31 -5.307 -0.637 21.808 1.00 0.00 WT4 H ATOM 47767 OH2 TIP3 43 0.362 -0.437 0.382 1.00 0.00 WT4 O ATOM 47768 H1 TIP3 43 -25.338 -3.025 25.727 1.00 0.00 WT4 H ATOM 47769 H2 TIP3 43 -33.939 7.883 11.194 1.00 0.00 WT4 H ATOM 47770 OH2 TIP3 44 3.335 -3.769 -1.284 1.00 0.00 WT4 O ATOM 47771 H1 TIP3 44 5.962 -6.718 -0.772 1.00 0.00 WT4 H ATOM 47772 H2 TIP3 44 -2.908 -1.133 -1.850 1.00 0.00 WT4 H ATOM 47773 OH2 TIP3 46 2.664 4.025 3.346 1.00 0.00 WT4 O ATOM 47774 H1 TIP3 46 7.827 6.296 -2.245 1.00 0.00 WT4 H ATOM 47775 H2 TIP3 46 -12.779 7.366 20.528 1.00 0.00 WT4 H ATOM 47776 OH2 TIP3 47 -8.509 6.771 0.131 1.00 0.00 WT4 O ATOM 47777 H1 TIP3 47 -1.064 -0.268 2.376 1.00 0.00 WT4 H ATOM 47778 H2 TIP3 47 0.961 -3.384 8.696 1.00 0.00 WT4 H ATOM 47779 OH2 TIP3 48 0.312 0.826 -0.913 1.00 0.00 WT4 O ATOM 47780 H1 TIP3 48 2.284 -1.647 -12.415 1.00 0.00 WT4 H ATOM 47781 H2 TIP3 48 -16.024 5.315 -0.670 1.00 0.00 WT4 H ATOM 47782 OH2 TIP3 50 2.221 -2.710 0.047 1.00 0.00 WT4 O ATOM 47783 H1 TIP3 50 -1.885 -10.679 -2.483 1.00 0.00 WT4 H ATOM 47784 H2 TIP3 50 1.979 1.483 -7.365 1.00 0.00 WT4 H ATOM 47785 OH2 TIP3 64 0.534 0.459 -0.348 1.00 0.00 WT4 O ATOM 47786 H1 TIP3 64 2.780 10.344 3.985 1.00 0.00 WT4 H ATOM 47787 H2 TIP3 64 -12.024 2.730 -18.417 1.00 0.00 WT4 H ATOM 47788 OH2 TIP3 66 -8.280 0.688 -1.985 1.00 0.00 WT4 O ATOM 47789 H1 TIP3 66 28.092 4.953 9.128 1.00 0.00 WT4 H ATOM 47790 H2 TIP3 66 22.730 22.581 7.688 1.00 0.00 WT4 H ATOM 47791 OH2 TIP3 67 -1.570 1.257 4.633 1.00 0.00 WT4 O ATOM 47792 H1 TIP3 67 6.399 -16.515 -23.921 1.00 0.00 WT4 H ATOM 47793 H2 TIP3 67 -8.219 -1.365 6.221 1.00 0.00 WT4 H ATOM 47794 OH2 TIP3 68 1.322 -2.472 0.484 1.00 0.00 WT4 O ATOM 47795 H1 TIP3 68 2.816 -6.288 4.123 1.00 0.00 WT4 H ATOM 47796 H2 TIP3 68 -10.171 4.319 -27.129 1.00 0.00 WT4 H ATOM 47797 OH2 TIP3 69 3.363 8.578 1.280 1.00 0.00 WT4 O ATOM 47798 H1 TIP3 69 -17.606 -0.527 -5.046 1.00 0.00 WT4 H ATOM 47799 H2 TIP3 69 -1.148 25.984 9.954 1.00 0.00 WT4 H ATOM 47800 OH2 TIP3 70 -3.535 0.469 -5.281 1.00 0.00 WT4 O ATOM 47801 H1 TIP3 70 -5.303 0.224 6.590 1.00 0.00 WT4 H ATOM 47802 H2 TIP3 70 -8.155 -11.907 -1.610 1.00 0.00 WT4 H ATOM 47803 OH2 TIP3 72 -1.967 -4.836 0.899 1.00 0.00 WT4 O ATOM 47804 H1 TIP3 72 8.059 -8.797 -6.033 1.00 0.00 WT4 H ATOM 47805 H2 TIP3 72 -3.073 -6.394 3.341 1.00 0.00 WT4 H ATOM 47806 OH2 TIP3 83 1.438 2.335 1.471 1.00 0.00 WT4 O ATOM 47807 H1 TIP3 83 -11.478 -0.366 12.865 1.00 0.00 WT4 H ATOM 47808 H2 TIP3 83 -6.968 2.595 -2.974 1.00 0.00 WT4 H ATOM 47809 OH2 TIP3 86 -3.846 0.343 1.231 1.00 0.00 WT4 O ATOM 47810 H1 TIP3 86 -14.503 -5.853 14.312 1.00 0.00 WT4 H ATOM 47811 H2 TIP3 86 -1.385 -1.336 -6.211 1.00 0.00 WT4 H ATOM 47812 OH2 TIP3 87 4.782 -5.826 -1.020 1.00 0.00 WT4 O ATOM 47813 H1 TIP3 87 -1.543 -4.943 9.643 1.00 0.00 WT4 H ATOM 47814 H2 TIP3 87 -6.473 -10.149 -31.252 1.00 0.00 WT4 H ATOM 47815 OH2 TIP3 88 1.405 -6.711 -0.739 1.00 0.00 WT4 O ATOM 47816 H1 TIP3 88 7.080 0.703 6.682 1.00 0.00 WT4 H ATOM 47817 H2 TIP3 88 -6.161 -7.203 6.083 1.00 0.00 WT4 H ATOM 47818 OH2 TIP3 90 1.964 0.019 -1.132 1.00 0.00 WT4 O ATOM 47819 H1 TIP3 90 -0.717 -21.589 14.365 1.00 0.00 WT4 H ATOM 47820 H2 TIP3 90 -8.548 0.591 -20.231 1.00 0.00 WT4 H ATOM 47821 OH2 TIP3 91 -3.923 1.369 8.258 1.00 0.00 WT4 O ATOM 47822 H1 TIP3 91 -1.891 -1.973 6.926 1.00 0.00 WT4 H ATOM 47823 H2 TIP3 91 -5.956 2.476 8.548 1.00 0.00 WT4 H ATOM 47824 OH2 TIP3 93 4.800 -8.643 -2.024 1.00 0.00 WT4 O ATOM 47825 H1 TIP3 93 6.512 -6.296 -0.554 1.00 0.00 WT4 H ATOM 47826 H2 TIP3 93 -0.559 -18.029 -3.200 1.00 0.00 WT4 H ATOM 47827 OH2 TIP3 107 0.637 2.642 6.849 1.00 0.00 WT4 O ATOM 47828 H1 TIP3 107 -1.137 4.917 6.313 1.00 0.00 WT4 H ATOM 47829 H2 TIP3 107 -5.824 -6.555 26.161 1.00 0.00 WT4 H ATOM 47830 OH2 TIP3 108 3.731 -3.415 2.079 1.00 0.00 WT4 O ATOM 47831 H1 TIP3 108 3.226 0.919 1.831 1.00 0.00 WT4 H ATOM 47832 H2 TIP3 108 12.667 11.891 -10.572 1.00 0.00 WT4 H ATOM 47833 OH2 TIP3 109 0.611 2.069 -4.504 1.00 0.00 WT4 O ATOM 47834 H1 TIP3 109 0.264 4.637 -5.461 1.00 0.00 WT4 H ATOM 47835 H2 TIP3 109 4.210 5.001 -1.486 1.00 0.00 WT4 H ATOM 47836 OH2 TIP3 110 0.400 4.946 -7.873 1.00 0.00 WT4 O ATOM 47837 H1 TIP3 110 4.800 6.802 6.325 1.00 0.00 WT4 H ATOM 47838 H2 TIP3 110 -2.268 24.169 4.335 1.00 0.00 WT4 H ATOM 47839 OH2 TIP3 111 1.209 4.525 1.729 1.00 0.00 WT4 O ATOM 47840 H1 TIP3 111 -0.780 1.937 1.325 1.00 0.00 WT4 H ATOM 47841 H2 TIP3 111 -7.206 -6.034 -0.029 1.00 0.00 WT4 H ATOM 47842 OH2 TIP3 112 3.199 -1.081 -6.354 1.00 0.00 WT4 O ATOM 47843 H1 TIP3 112 -11.054 13.753 11.264 1.00 0.00 WT4 H ATOM 47844 H2 TIP3 112 -15.769 30.568 -1.409 1.00 0.00 WT4 H ATOM 47845 OH2 TIP3 113 -1.272 3.416 2.565 1.00 0.00 WT4 O ATOM 47846 H1 TIP3 113 17.912 3.653 14.299 1.00 0.00 WT4 H ATOM 47847 H2 TIP3 113 0.626 4.313 2.736 1.00 0.00 WT4 H ATOM 47848 OH2 TIP3 114 -2.495 0.878 -6.558 1.00 0.00 WT4 O ATOM 47849 H1 TIP3 114 -22.358 4.792 -3.765 1.00 0.00 WT4 H ATOM 47850 H2 TIP3 114 4.540 11.386 -6.677 1.00 0.00 WT4 H ATOM 47851 OH2 TIP3 129 0.135 7.295 4.689 1.00 0.00 WT4 O ATOM 47852 H1 TIP3 129 1.259 -8.970 -6.143 1.00 0.00 WT4 H ATOM 47853 H2 TIP3 129 -5.088 13.409 -2.155 1.00 0.00 WT4 H ATOM 47854 OH2 TIP3 130 -0.512 2.392 3.738 1.00 0.00 WT4 O ATOM 47855 H1 TIP3 130 31.482 5.862 -9.039 1.00 0.00 WT4 H ATOM 47856 H2 TIP3 130 -4.043 -26.096 7.498 1.00 0.00 WT4 H ATOM 47857 OH2 TIP3 132 7.023 8.969 -0.024 1.00 0.00 WT4 O ATOM 47858 H1 TIP3 132 9.581 2.089 -16.176 1.00 0.00 WT4 H ATOM 47859 H2 TIP3 132 22.755 11.788 8.415 1.00 0.00 WT4 H ATOM 47860 OH2 TIP3 133 1.513 -3.239 6.175 1.00 0.00 WT4 O ATOM 47861 H1 TIP3 133 13.728 17.815 -8.388 1.00 0.00 WT4 H ATOM 47862 H2 TIP3 133 -2.479 -5.695 5.751 1.00 0.00 WT4 H ATOM 47863 OH2 TIP3 144 10.569 -1.429 0.129 1.00 0.00 WT4 O ATOM 47864 H1 TIP3 144 16.596 6.722 2.195 1.00 0.00 WT4 H ATOM 47865 H2 TIP3 144 5.628 -1.901 -1.407 1.00 0.00 WT4 H ATOM 47866 OH2 TIP3 145 1.419 0.049 -2.470 1.00 0.00 WT4 O ATOM 47867 H1 TIP3 145 2.187 14.612 7.518 1.00 0.00 WT4 H ATOM 47868 H2 TIP3 145 -4.146 14.209 -14.401 1.00 0.00 WT4 H ATOM 47869 OH2 TIP3 149 -1.257 -4.724 2.366 1.00 0.00 WT4 O ATOM 47870 H1 TIP3 149 -17.465 -18.874 -10.266 1.00 0.00 WT4 H ATOM 47871 H2 TIP3 149 1.423 -0.548 9.342 1.00 0.00 WT4 H ATOM 47872 OH2 TIP3 150 -2.648 3.878 -0.125 1.00 0.00 WT4 O ATOM 47873 H1 TIP3 150 -13.248 3.973 12.081 1.00 0.00 WT4 H ATOM 47874 H2 TIP3 150 -9.163 -9.073 -11.089 1.00 0.00 WT4 H ATOM 47875 OH2 TIP3 151 3.330 4.081 0.426 1.00 0.00 WT4 O ATOM 47876 H1 TIP3 151 20.707 11.437 7.217 1.00 0.00 WT4 H ATOM 47877 H2 TIP3 151 13.684 -0.496 21.812 1.00 0.00 WT4 H ATOM 47878 OH2 TIP3 152 -5.281 -6.615 -0.030 1.00 0.00 WT4 O ATOM 47879 H1 TIP3 152 10.837 5.485 -17.396 1.00 0.00 WT4 H ATOM 47880 H2 TIP3 152 3.071 -7.672 -2.668 1.00 0.00 WT4 H ATOM 47881 OH2 TIP3 154 -3.502 4.527 3.223 1.00 0.00 WT4 O ATOM 47882 H1 TIP3 154 -14.813 12.755 7.374 1.00 0.00 WT4 H ATOM 47883 H2 TIP3 154 -13.669 -5.218 -0.653 1.00 0.00 WT4 H ATOM 47884 OH2 TIP3 167 1.434 5.089 1.487 1.00 0.00 WT4 O ATOM 47885 H1 TIP3 167 -3.073 7.999 -4.856 1.00 0.00 WT4 H ATOM 47886 H2 TIP3 167 -3.121 7.928 -5.484 1.00 0.00 WT4 H ATOM 47887 OH2 TIP3 171 5.567 3.953 4.571 1.00 0.00 WT4 O ATOM 47888 H1 TIP3 171 1.139 -4.409 -29.409 1.00 0.00 WT4 H ATOM 47889 H2 TIP3 171 -9.966 -15.323 -2.412 1.00 0.00 WT4 H ATOM 47890 OH2 TIP3 192 5.979 1.067 -4.676 1.00 0.00 WT4 O ATOM 47891 H1 TIP3 192 1.957 0.608 7.964 1.00 0.00 WT4 H ATOM 47892 H2 TIP3 192 -3.806 -5.809 -14.719 1.00 0.00 WT4 H ATOM 47893 OH2 TIP3 193 0.198 4.578 -3.578 1.00 0.00 WT4 O ATOM 47894 H1 TIP3 193 -5.552 -11.269 -23.009 1.00 0.00 WT4 H ATOM 47895 H2 TIP3 193 -6.229 -23.502 -5.602 1.00 0.00 WT4 H ATOM 47896 OH2 TIP3 212 6.239 -7.696 0.259 1.00 0.00 WT4 O ATOM 47897 H1 TIP3 212 11.289 -12.344 3.497 1.00 0.00 WT4 H ATOM 47898 H2 TIP3 212 0.177 2.713 -4.132 1.00 0.00 WT4 H ATOM 47899 OH2 TIP3 236 -0.594 2.967 -3.535 1.00 0.00 WT4 O ATOM 47900 H1 TIP3 236 -23.345 9.281 11.158 1.00 0.00 WT4 H ATOM 47901 H2 TIP3 236 15.606 14.412 16.378 1.00 0.00 WT4 H ATOM 47902 OH2 TIP3 237 0.836 -1.548 11.275 1.00 0.00 WT4 O ATOM 47903 H1 TIP3 237 0.312 -0.652 10.615 1.00 0.00 WT4 H ATOM 47904 H2 TIP3 237 0.057 -8.955 -1.897 1.00 0.00 WT4 H ATOM 47905 OH2 TIP3 239 -1.653 -6.360 -0.418 1.00 0.00 WT4 O ATOM 47906 H1 TIP3 239 -9.130 -2.463 -2.454 1.00 0.00 WT4 H ATOM 47907 H2 TIP3 239 -14.736 -2.955 -3.534 1.00 0.00 WT4 H ATOM 47908 OH2 TIP3 256 -0.282 3.160 -3.967 1.00 0.00 WT4 O ATOM 47909 H1 TIP3 256 -16.723 41.560 -10.776 1.00 0.00 WT4 H ATOM 47910 H2 TIP3 256 -15.474 -10.759 -32.498 1.00 0.00 WT4 H ATOM 47911 OH2 TIP3 407 -6.232 3.575 1.288 1.00 0.00 WT4 O ATOM 47912 H1 TIP3 407 -11.453 1.374 -4.962 1.00 0.00 WT4 H ATOM 47913 H2 TIP3 407 -6.091 15.942 4.648 1.00 0.00 WT4 H ATOM 47914 OH2 TIP3 430 3.349 -2.219 2.278 1.00 0.00 WT4 O ATOM 47915 H1 TIP3 430 2.115 1.441 -9.345 1.00 0.00 WT4 H ATOM 47916 H2 TIP3 430 3.953 -4.407 6.758 1.00 0.00 WT4 H ATOM 47917 OH2 TIP3 443 4.222 -4.058 0.664 1.00 0.00 WT4 O ATOM 47918 H1 TIP3 443 -3.505 7.024 -2.385 1.00 0.00 WT4 H ATOM 47919 H2 TIP3 443 -17.558 -0.160 -1.608 1.00 0.00 WT4 H ATOM 47920 OH2 TIP3 444 -6.049 1.680 1.316 1.00 0.00 WT4 O ATOM 47921 H1 TIP3 444 9.127 2.062 12.447 1.00 0.00 WT4 H ATOM 47922 H2 TIP3 444 -14.347 0.250 -12.887 1.00 0.00 WT4 H ATOM 47923 OH2 TIP3 447 1.418 1.825 4.847 1.00 0.00 WT4 O ATOM 47924 H1 TIP3 447 -11.984 4.521 -0.790 1.00 0.00 WT4 H ATOM 47925 H2 TIP3 447 12.831 -3.978 -7.360 1.00 0.00 WT4 H ATOM 47926 OH2 TIP3 449 -0.121 4.983 1.421 1.00 0.00 WT4 O ATOM 47927 H1 TIP3 449 -10.218 -7.809 10.333 1.00 0.00 WT4 H ATOM 47928 H2 TIP3 449 -4.609 8.243 4.463 1.00 0.00 WT4 H ATOM 47929 OH2 TIP3 450 -3.272 -1.871 -3.247 1.00 0.00 WT4 O ATOM 47930 H1 TIP3 450 -9.204 3.896 -10.838 1.00 0.00 WT4 H ATOM 47931 H2 TIP3 450 -8.205 1.780 -9.716 1.00 0.00 WT4 H ATOM 47932 OH2 TIP3 465 -1.280 -3.086 -0.652 1.00 0.00 WT4 O ATOM 47933 H1 TIP3 465 9.453 -3.796 -2.283 1.00 0.00 WT4 H ATOM 47934 H2 TIP3 465 -6.983 -11.710 9.354 1.00 0.00 WT4 H ATOM 47935 OH2 TIP3 466 -2.501 5.508 0.858 1.00 0.00 WT4 O ATOM 47936 H1 TIP3 466 1.800 -5.676 -7.245 1.00 0.00 WT4 H ATOM 47937 H2 TIP3 466 -11.421 -3.274 -10.987 1.00 0.00 WT4 H ATOM 47938 OH2 TIP3 467 -2.445 8.763 1.048 1.00 0.00 WT4 O ATOM 47939 H1 TIP3 467 -7.417 11.416 3.894 1.00 0.00 WT4 H ATOM 47940 H2 TIP3 467 -3.436 1.862 2.972 1.00 0.00 WT4 H ATOM 47941 OH2 TIP3 469 7.547 -1.998 5.213 1.00 0.00 WT4 O ATOM 47942 H1 TIP3 469 11.841 1.437 10.287 1.00 0.00 WT4 H ATOM 47943 H2 TIP3 469 3.387 2.330 -3.538 1.00 0.00 WT4 H ATOM 47944 OH2 TIP3 478 -2.996 -0.738 3.969 1.00 0.00 WT4 O ATOM 47945 H1 TIP3 478 -2.215 -3.555 2.262 1.00 0.00 WT4 H ATOM 47946 H2 TIP3 478 -9.161 -3.009 2.778 1.00 0.00 WT4 H ATOM 47947 OH2 TIP3 484 0.776 1.625 4.124 1.00 0.00 WT4 O ATOM 47948 H1 TIP3 484 -13.874 3.013 -16.818 1.00 0.00 WT4 H ATOM 47949 H2 TIP3 484 23.339 -3.804 6.970 1.00 0.00 WT4 H ATOM 47950 OH2 TIP3 485 0.112 -3.022 7.177 1.00 0.00 WT4 O ATOM 47951 H1 TIP3 485 -4.123 -1.017 3.588 1.00 0.00 WT4 H ATOM 47952 H2 TIP3 485 1.154 -5.259 0.837 1.00 0.00 WT4 H ATOM 47953 OH2 TIP3 486 0.223 6.354 0.200 1.00 0.00 WT4 O ATOM 47954 H1 TIP3 486 -0.022 5.874 0.123 1.00 0.00 WT4 H ATOM 47955 H2 TIP3 486 -0.561 7.269 7.236 1.00 0.00 WT4 H ATOM 47956 OH2 TIP3 488 -2.436 -2.998 -3.545 1.00 0.00 WT4 O ATOM 47957 H1 TIP3 488 -6.521 4.320 -15.083 1.00 0.00 WT4 H ATOM 47958 H2 TIP3 488 -1.517 -3.125 -5.955 1.00 0.00 WT4 H ATOM 47959 OH2 TIP3 489 -6.856 -7.876 0.287 1.00 0.00 WT4 O ATOM 47960 H1 TIP3 489 -46.991 -4.773 -10.281 1.00 0.00 WT4 H ATOM 47961 H2 TIP3 489 -14.437 -3.822 -12.889 1.00 0.00 WT4 H ATOM 47962 OH2 TIP3 492 1.049 -1.075 -0.556 1.00 0.00 WT4 O ATOM 47963 H1 TIP3 492 14.791 -15.142 -8.596 1.00 0.00 WT4 H ATOM 47964 H2 TIP3 492 -6.830 -6.299 -13.753 1.00 0.00 WT4 H ATOM 47965 OH2 TIP3 503 0.705 -3.302 -3.381 1.00 0.00 WT4 O ATOM 47966 H1 TIP3 503 1.506 -21.535 -20.948 1.00 0.00 WT4 H ATOM 47967 H2 TIP3 503 14.022 -8.347 10.257 1.00 0.00 WT4 H ATOM 47968 OH2 TIP3 506 -4.001 5.328 -1.822 1.00 0.00 WT4 O ATOM 47969 H1 TIP3 506 -4.719 24.058 -11.257 1.00 0.00 WT4 H ATOM 47970 H2 TIP3 506 16.368 -0.557 -4.852 1.00 0.00 WT4 H ATOM 47971 OH2 TIP3 507 -7.275 -8.468 1.542 1.00 0.00 WT4 O ATOM 47972 H1 TIP3 507 19.978 -9.471 3.558 1.00 0.00 WT4 H ATOM 47973 H2 TIP3 507 -9.417 8.651 -15.360 1.00 0.00 WT4 H ATOM 47974 OH2 TIP3 508 -5.075 -10.013 -0.490 1.00 0.00 WT4 O ATOM 47975 H1 TIP3 508 13.743 -25.021 -5.781 1.00 0.00 WT4 H ATOM 47976 H2 TIP3 508 -6.565 -6.009 -0.430 1.00 0.00 WT4 H ATOM 47977 OH2 TIP3 509 -5.974 -2.013 -0.375 1.00 0.00 WT4 O ATOM 47978 H1 TIP3 509 11.752 -8.612 -5.399 1.00 0.00 WT4 H ATOM 47979 H2 TIP3 509 6.065 5.669 14.841 1.00 0.00 WT4 H ATOM 47980 OH2 TIP3 511 0.012 -3.742 -8.111 1.00 0.00 WT4 O ATOM 47981 H1 TIP3 511 8.474 -8.006 -6.536 1.00 0.00 WT4 H ATOM 47982 H2 TIP3 511 -2.776 -2.952 1.909 1.00 0.00 WT4 H ATOM 47983 OH2 TIP3 512 4.123 -5.631 0.408 1.00 0.00 WT4 O ATOM 47984 H1 TIP3 512 -0.055 1.920 3.234 1.00 0.00 WT4 H ATOM 47985 H2 TIP3 512 1.134 14.839 9.235 1.00 0.00 WT4 H ATOM 47986 OH2 TIP3 513 4.756 1.381 3.971 1.00 0.00 WT4 O ATOM 47987 H1 TIP3 513 15.236 -6.806 14.183 1.00 0.00 WT4 H ATOM 47988 H2 TIP3 513 0.888 6.783 -11.768 1.00 0.00 WT4 H ATOM 47989 OH2 TIP3 517 0.551 2.982 2.504 1.00 0.00 WT4 O ATOM 47990 H1 TIP3 517 0.108 -3.487 3.895 1.00 0.00 WT4 H ATOM 47991 H2 TIP3 517 -4.740 3.450 -5.801 1.00 0.00 WT4 H ATOM 47992 OH2 TIP3 528 -3.141 -2.494 -0.521 1.00 0.00 WT4 O ATOM 47993 H1 TIP3 528 32.853 -0.286 11.634 1.00 0.00 WT4 H ATOM 47994 H2 TIP3 528 -1.913 -24.916 -12.437 1.00 0.00 WT4 H ATOM 47995 OH2 TIP3 529 -0.906 -4.961 -0.681 1.00 0.00 WT4 O ATOM 47996 H1 TIP3 529 -22.919 4.249 2.928 1.00 0.00 WT4 H ATOM 47997 H2 TIP3 529 7.997 -6.516 23.145 1.00 0.00 WT4 H ATOM 47998 OH2 TIP3 530 -5.630 -1.491 2.127 1.00 0.00 WT4 O ATOM 47999 H1 TIP3 530 6.445 4.370 -11.027 1.00 0.00 WT4 H ATOM 48000 H2 TIP3 530 -4.069 -1.317 4.006 1.00 0.00 WT4 H ATOM 48001 OH2 TIP3 532 -2.010 -1.559 0.952 1.00 0.00 WT4 O ATOM 48002 H1 TIP3 532 -3.572 -14.981 -2.231 1.00 0.00 WT4 H ATOM 48003 H2 TIP3 532 0.818 18.449 6.246 1.00 0.00 WT4 H ATOM 48004 OH2 TIP3 533 -9.312 1.257 3.517 1.00 0.00 WT4 O ATOM 48005 H1 TIP3 533 -0.377 -0.778 5.079 1.00 0.00 WT4 H ATOM 48006 H2 TIP3 533 -15.483 8.171 2.516 1.00 0.00 WT4 H ATOM 48007 OH2 TIP3 535 -0.035 -1.993 -3.684 1.00 0.00 WT4 O ATOM 48008 H1 TIP3 535 10.281 2.103 4.986 1.00 0.00 WT4 H ATOM 48009 H2 TIP3 535 -15.180 -15.772 -7.178 1.00 0.00 WT4 H ATOM 48010 OH2 TIP3 543 10.198 5.980 -0.926 1.00 0.00 WT4 O ATOM 48011 H1 TIP3 543 -16.931 7.344 3.244 1.00 0.00 WT4 H ATOM 48012 H2 TIP3 543 49.376 4.034 -12.884 1.00 0.00 WT4 H ATOM 48013 OH2 TIP3 547 1.095 4.448 3.447 1.00 0.00 WT4 O ATOM 48014 H1 TIP3 547 -10.921 1.567 8.087 1.00 0.00 WT4 H ATOM 48015 H2 TIP3 547 -12.266 20.438 -20.267 1.00 0.00 WT4 H ATOM 48016 OH2 TIP3 549 -2.943 -5.615 0.444 1.00 0.00 WT4 O ATOM 48017 H1 TIP3 549 5.525 -6.266 -10.417 1.00 0.00 WT4 H ATOM 48018 H2 TIP3 549 3.183 -4.717 -4.651 1.00 0.00 WT4 H ATOM 48019 OH2 TIP3 550 3.242 -7.818 2.913 1.00 0.00 WT4 O ATOM 48020 H1 TIP3 550 -6.850 12.036 20.037 1.00 0.00 WT4 H ATOM 48021 H2 TIP3 550 27.118 -6.403 1.770 1.00 0.00 WT4 H ATOM 48022 OH2 TIP3 551 1.666 -1.899 -3.172 1.00 0.00 WT4 O ATOM 48023 H1 TIP3 551 22.281 1.276 -10.858 1.00 0.00 WT4 H ATOM 48024 H2 TIP3 551 8.979 6.499 11.115 1.00 0.00 WT4 H ATOM 48025 OH2 TIP3 554 3.621 2.514 -1.747 1.00 0.00 WT4 O ATOM 48026 H1 TIP3 554 -2.429 5.740 -14.634 1.00 0.00 WT4 H ATOM 48027 H2 TIP3 554 33.592 -14.643 11.801 1.00 0.00 WT4 H ATOM 48028 OH2 TIP3 558 -0.980 -1.700 2.430 1.00 0.00 WT4 O ATOM 48029 H1 TIP3 558 5.989 2.013 -14.866 1.00 0.00 WT4 H ATOM 48030 H2 TIP3 558 -13.629 -6.191 -6.617 1.00 0.00 WT4 H ATOM 48031 OH2 TIP3 562 -3.385 -3.069 -1.515 1.00 0.00 WT4 O ATOM 48032 H1 TIP3 562 -6.062 7.720 16.554 1.00 0.00 WT4 H ATOM 48033 H2 TIP3 562 1.745 -3.016 13.820 1.00 0.00 WT4 H ATOM 48034 OH2 TIP3 568 2.071 -2.609 2.211 1.00 0.00 WT4 O ATOM 48035 H1 TIP3 568 -7.895 3.036 8.002 1.00 0.00 WT4 H ATOM 48036 H2 TIP3 568 -7.364 33.796 14.711 1.00 0.00 WT4 H ATOM 48037 OH2 TIP3 572 7.219 -3.144 -0.227 1.00 0.00 WT4 O ATOM 48038 H1 TIP3 572 -13.835 -6.811 6.112 1.00 0.00 WT4 H ATOM 48039 H2 TIP3 572 3.456 -0.392 -4.995 1.00 0.00 WT4 H ATOM 48040 OH2 TIP3 573 3.730 -3.924 -6.455 1.00 0.00 WT4 O ATOM 48041 H1 TIP3 573 12.105 23.326 -0.979 1.00 0.00 WT4 H ATOM 48042 H2 TIP3 573 7.394 6.557 -4.638 1.00 0.00 WT4 H ATOM 48043 OH2 TIP3 574 -2.252 5.572 -8.482 1.00 0.00 WT4 O ATOM 48044 H1 TIP3 574 17.067 -13.611 2.451 1.00 0.00 WT4 H ATOM 48045 H2 TIP3 574 -2.359 21.186 -14.799 1.00 0.00 WT4 H ATOM 48046 OH2 TIP3 575 -2.259 0.692 0.492 1.00 0.00 WT4 O ATOM 48047 H1 TIP3 575 4.317 -4.402 11.857 1.00 0.00 WT4 H ATOM 48048 H2 TIP3 575 -25.291 -5.163 1.930 1.00 0.00 WT4 H ATOM 48049 OH2 TIP3 584 -2.755 2.025 2.502 1.00 0.00 WT4 O ATOM 48050 H1 TIP3 584 6.513 -3.235 14.805 1.00 0.00 WT4 H ATOM 48051 H2 TIP3 584 -2.562 2.656 12.321 1.00 0.00 WT4 H ATOM 48052 OH2 TIP3 591 -0.405 3.226 -1.025 1.00 0.00 WT4 O ATOM 48053 H1 TIP3 591 3.904 -3.639 -4.706 1.00 0.00 WT4 H ATOM 48054 H2 TIP3 591 13.017 -3.794 0.072 1.00 0.00 WT4 H ATOM 48055 OH2 TIP3 592 6.662 -2.144 0.914 1.00 0.00 WT4 O ATOM 48056 H1 TIP3 592 2.215 -15.929 6.249 1.00 0.00 WT4 H ATOM 48057 H2 TIP3 592 -0.358 9.950 6.445 1.00 0.00 WT4 H ATOM 48058 OH2 TIP3 593 -2.955 5.890 -1.532 1.00 0.00 WT4 O ATOM 48059 H1 TIP3 593 -2.704 5.176 7.946 1.00 0.00 WT4 H ATOM 48060 H2 TIP3 593 -5.486 -2.083 39.144 1.00 0.00 WT4 H ATOM 48061 OH2 TIP3 594 -5.757 0.169 -3.698 1.00 0.00 WT4 O ATOM 48062 H1 TIP3 594 10.190 6.003 10.537 1.00 0.00 WT4 H ATOM 48063 H2 TIP3 594 6.337 -14.896 -14.899 1.00 0.00 WT4 H ATOM 48064 OH2 TIP3 595 5.178 -3.563 -2.042 1.00 0.00 WT4 O ATOM 48065 H1 TIP3 595 6.755 -4.441 -3.199 1.00 0.00 WT4 H ATOM 48066 H2 TIP3 595 0.268 0.457 2.674 1.00 0.00 WT4 H ATOM 48067 OH2 TIP3 612 -1.508 2.011 1.895 1.00 0.00 WT4 O ATOM 48068 H1 TIP3 612 27.442 -8.516 -8.240 1.00 0.00 WT4 H ATOM 48069 H2 TIP3 612 40.566 -5.476 -9.235 1.00 0.00 WT4 H ATOM 48070 OH2 TIP3 613 2.179 4.122 -7.520 1.00 0.00 WT4 O ATOM 48071 H1 TIP3 613 7.699 1.459 -20.781 1.00 0.00 WT4 H ATOM 48072 H2 TIP3 613 -7.907 4.419 -17.632 1.00 0.00 WT4 H ATOM 48073 OH2 TIP3 617 1.033 -0.110 1.813 1.00 0.00 WT4 O ATOM 48074 H1 TIP3 617 7.243 2.243 -11.510 1.00 0.00 WT4 H ATOM 48075 H2 TIP3 617 12.652 -9.051 10.846 1.00 0.00 WT4 H ATOM 48076 OH2 TIP3 632 -3.457 4.407 -4.509 1.00 0.00 WT4 O ATOM 48077 H1 TIP3 632 8.765 -6.780 -5.362 1.00 0.00 WT4 H ATOM 48078 H2 TIP3 632 8.519 23.817 -12.906 1.00 0.00 WT4 H ATOM 48079 OH2 TIP3 634 1.581 -2.926 2.341 1.00 0.00 WT4 O ATOM 48080 H1 TIP3 634 2.546 -17.821 -6.838 1.00 0.00 WT4 H ATOM 48081 H2 TIP3 634 8.737 9.709 -7.698 1.00 0.00 WT4 H ATOM 48082 OH2 TIP3 635 -3.460 -0.512 -2.821 1.00 0.00 WT4 O ATOM 48083 H1 TIP3 635 -10.663 -4.895 -8.927 1.00 0.00 WT4 H ATOM 48084 H2 TIP3 635 31.620 -27.226 -11.905 1.00 0.00 WT4 H ATOM 48085 OH2 TIP3 638 -1.534 5.856 -7.158 1.00 0.00 WT4 O ATOM 48086 H1 TIP3 638 -3.990 12.641 3.543 1.00 0.00 WT4 H ATOM 48087 H2 TIP3 638 7.375 4.531 -8.275 1.00 0.00 WT4 H ATOM 48088 OH2 TIP3 640 -1.420 -4.620 4.592 1.00 0.00 WT4 O ATOM 48089 H1 TIP3 640 -27.834 -16.931 -1.220 1.00 0.00 WT4 H ATOM 48090 H2 TIP3 640 -6.302 18.472 1.446 1.00 0.00 WT4 H ATOM 48091 OH2 TIP3 656 2.870 6.426 -2.915 1.00 0.00 WT4 O ATOM 48092 H1 TIP3 656 -1.045 17.889 19.201 1.00 0.00 WT4 H ATOM 48093 H2 TIP3 656 -6.686 -13.126 3.434 1.00 0.00 WT4 H ATOM 48094 OH2 TIP3 659 1.715 -2.734 -1.103 1.00 0.00 WT4 O ATOM 48095 H1 TIP3 659 5.874 5.383 6.079 1.00 0.00 WT4 H ATOM 48096 H2 TIP3 659 6.632 5.511 -17.830 1.00 0.00 WT4 H ATOM 48097 OH2 TIP3 660 -0.563 6.236 -1.417 1.00 0.00 WT4 O ATOM 48098 H1 TIP3 660 -1.028 -1.226 -14.829 1.00 0.00 WT4 H ATOM 48099 H2 TIP3 660 -3.038 20.661 -5.450 1.00 0.00 WT4 H ATOM 48100 OH2 TIP3 682 2.172 -1.794 -3.187 1.00 0.00 WT4 O ATOM 48101 H1 TIP3 682 4.828 16.036 2.281 1.00 0.00 WT4 H ATOM 48102 H2 TIP3 682 -6.455 -6.133 13.987 1.00 0.00 WT4 H ATOM 48103 OH2 TIP3 695 -2.914 -0.584 -1.497 1.00 0.00 WT4 O ATOM 48104 H1 TIP3 695 3.330 -7.492 -6.825 1.00 0.00 WT4 H ATOM 48105 H2 TIP3 695 4.852 -2.579 3.649 1.00 0.00 WT4 H ATOM 48106 OH2 TIP3 697 -9.937 -0.381 -1.024 1.00 0.00 WT4 O ATOM 48107 H1 TIP3 697 -11.283 3.074 -2.779 1.00 0.00 WT4 H ATOM 48108 H2 TIP3 697 -28.011 11.499 -4.701 1.00 0.00 WT4 H ATOM 48109 OH2 TIP3 758 4.175 1.228 0.072 1.00 0.00 WT4 O ATOM 48110 H1 TIP3 758 7.617 0.439 -12.233 1.00 0.00 WT4 H ATOM 48111 H2 TIP3 758 -3.438 9.487 -2.733 1.00 0.00 WT4 H ATOM 48112 OH2 TIP3 805 1.691 -3.313 8.862 1.00 0.00 WT4 O ATOM 48113 H1 TIP3 805 10.420 -13.952 19.925 1.00 0.00 WT4 H ATOM 48114 H2 TIP3 805 -3.553 3.286 0.703 1.00 0.00 WT4 H ATOM 48115 OH2 TIP3 822 1.158 5.977 9.473 1.00 0.00 WT4 O ATOM 48116 H1 TIP3 822 -6.103 -11.263 11.658 1.00 0.00 WT4 H ATOM 48117 H2 TIP3 822 -1.537 14.219 -1.791 1.00 0.00 WT4 H ATOM 48118 OH2 TIP3 848 -0.686 4.842 -4.022 1.00 0.00 WT4 O ATOM 48119 H1 TIP3 848 0.187 -3.122 8.290 1.00 0.00 WT4 H ATOM 48120 H2 TIP3 848 0.238 -8.335 15.378 1.00 0.00 WT4 H ATOM 48121 OH2 TIP3 849 -1.066 -0.597 0.445 1.00 0.00 WT4 O ATOM 48122 H1 TIP3 849 7.743 28.570 20.681 1.00 0.00 WT4 H ATOM 48123 H2 TIP3 849 12.553 -2.974 -6.674 1.00 0.00 WT4 H ATOM 48124 OH2 TIP3 866 3.449 2.141 -0.840 1.00 0.00 WT4 O ATOM 48125 H1 TIP3 866 1.830 12.993 -7.086 1.00 0.00 WT4 H ATOM 48126 H2 TIP3 866 5.423 8.928 5.345 1.00 0.00 WT4 H ATOM 48127 OH2 TIP3 867 -0.961 -4.501 -4.966 1.00 0.00 WT4 O ATOM 48128 H1 TIP3 867 -7.901 22.157 18.232 1.00 0.00 WT4 H ATOM 48129 H2 TIP3 867 3.813 1.560 1.872 1.00 0.00 WT4 H ATOM 48130 OH2 TIP3 887 4.260 2.127 1.125 1.00 0.00 WT4 O ATOM 48131 H1 TIP3 887 -6.571 -7.914 -5.559 1.00 0.00 WT4 H ATOM 48132 H2 TIP3 887 10.005 7.424 4.518 1.00 0.00 WT4 H ATOM 48133 OH2 TIP3 888 -1.145 -1.484 3.857 1.00 0.00 WT4 O ATOM 48134 H1 TIP3 888 -0.151 -7.192 3.747 1.00 0.00 WT4 H ATOM 48135 H2 TIP3 888 -9.838 -6.897 6.950 1.00 0.00 WT4 H ATOM 48136 OH2 TIP3 891 1.943 -5.852 0.612 1.00 0.00 WT4 O ATOM 48137 H1 TIP3 891 -4.928 -8.713 12.397 1.00 0.00 WT4 H ATOM 48138 H2 TIP3 891 14.087 15.502 -1.080 1.00 0.00 WT4 H ATOM 48139 OH2 TIP3 906 4.264 -4.655 -3.287 1.00 0.00 WT4 O ATOM 48140 H1 TIP3 906 -18.014 -1.957 -2.025 1.00 0.00 WT4 H ATOM 48141 H2 TIP3 906 -0.145 3.745 -8.166 1.00 0.00 WT4 H ATOM 48142 OH2 TIP3 908 -10.425 -1.586 -10.492 1.00 0.00 WT4 O ATOM 48143 H1 TIP3 908 1.552 1.123 -6.194 1.00 0.00 WT4 H ATOM 48144 H2 TIP3 908 30.102 -16.710 20.769 1.00 0.00 WT4 H ATOM 48145 OH2 TIP3 912 3.829 -1.784 -3.537 1.00 0.00 WT4 O ATOM 48146 H1 TIP3 912 13.855 -15.251 -10.466 1.00 0.00 WT4 H ATOM 48147 H2 TIP3 912 0.099 7.338 1.689 1.00 0.00 WT4 H ATOM 48148 OH2 TIP3 924 3.507 4.108 -8.293 1.00 0.00 WT4 O ATOM 48149 H1 TIP3 924 5.007 -12.989 23.930 1.00 0.00 WT4 H ATOM 48150 H2 TIP3 924 4.415 -8.161 4.761 1.00 0.00 WT4 H ATOM 48151 OH2 TIP3 927 -0.654 5.414 1.376 1.00 0.00 WT4 O ATOM 48152 H1 TIP3 927 17.947 -7.478 -8.653 1.00 0.00 WT4 H ATOM 48153 H2 TIP3 927 -15.271 10.883 -17.150 1.00 0.00 WT4 H ATOM 48154 OH2 TIP3 928 -4.657 -3.987 1.909 1.00 0.00 WT4 O ATOM 48155 H1 TIP3 928 -8.926 -3.308 -9.113 1.00 0.00 WT4 H ATOM 48156 H2 TIP3 928 -1.031 7.459 2.726 1.00 0.00 WT4 H ATOM 48157 OH2 TIP3 929 -5.753 1.813 2.695 1.00 0.00 WT4 O ATOM 48158 H1 TIP3 929 -2.399 -14.622 6.135 1.00 0.00 WT4 H ATOM 48159 H2 TIP3 929 8.461 8.231 -1.161 1.00 0.00 WT4 H ATOM 48160 OH2 TIP3 930 6.872 0.268 -2.759 1.00 0.00 WT4 O ATOM 48161 H1 TIP3 930 22.902 -13.477 -28.046 1.00 0.00 WT4 H ATOM 48162 H2 TIP3 930 8.108 10.407 -13.862 1.00 0.00 WT4 H ATOM 48163 OH2 TIP3 932 -0.800 0.253 3.469 1.00 0.00 WT4 O ATOM 48164 H1 TIP3 932 6.614 -9.885 -6.379 1.00 0.00 WT4 H ATOM 48165 H2 TIP3 932 -3.365 9.691 8.125 1.00 0.00 WT4 H ATOM 48166 OH2 TIP3 942 -5.533 4.361 3.639 1.00 0.00 WT4 O ATOM 48167 H1 TIP3 942 -3.490 2.330 -1.403 1.00 0.00 WT4 H ATOM 48168 H2 TIP3 942 -4.823 8.257 13.944 1.00 0.00 WT4 H ATOM 48169 OH2 TIP3 947 1.297 -4.985 3.204 1.00 0.00 WT4 O ATOM 48170 H1 TIP3 947 2.186 2.724 16.087 1.00 0.00 WT4 H ATOM 48171 H2 TIP3 947 9.730 28.001 22.596 1.00 0.00 WT4 H ATOM 48172 OH2 TIP3 948 1.935 2.739 -2.626 1.00 0.00 WT4 O ATOM 48173 H1 TIP3 948 9.735 5.474 10.710 1.00 0.00 WT4 H ATOM 48174 H2 TIP3 948 3.939 -15.265 -16.374 1.00 0.00 WT4 H ATOM 48175 OH2 TIP3 950 2.090 6.660 -1.683 1.00 0.00 WT4 O ATOM 48176 H1 TIP3 950 5.509 -20.846 9.575 1.00 0.00 WT4 H ATOM 48177 H2 TIP3 950 0.163 -18.989 2.409 1.00 0.00 WT4 H ATOM 48178 OH2 TIP3 951 -5.948 -0.977 2.717 1.00 0.00 WT4 O ATOM 48179 H1 TIP3 951 -2.430 -1.518 -15.668 1.00 0.00 WT4 H ATOM 48180 H2 TIP3 951 -6.862 -2.252 18.702 1.00 0.00 WT4 H ATOM 48181 OH2 TIP3 952 4.151 -5.392 -2.698 1.00 0.00 WT4 O ATOM 48182 H1 TIP3 952 27.535 -12.950 -24.364 1.00 0.00 WT4 H ATOM 48183 H2 TIP3 952 9.118 -2.185 34.912 1.00 0.00 WT4 H ATOM 48184 OH2 TIP3 953 -3.513 -7.163 1.115 1.00 0.00 WT4 O ATOM 48185 H1 TIP3 953 -9.930 -8.451 11.258 1.00 0.00 WT4 H ATOM 48186 H2 TIP3 953 -12.148 7.067 1.224 1.00 0.00 WT4 H ATOM 48187 OH2 TIP3 956 3.535 0.014 2.604 1.00 0.00 WT4 O ATOM 48188 H1 TIP3 956 -1.250 32.702 -18.221 1.00 0.00 WT4 H ATOM 48189 H2 TIP3 956 -22.228 -19.442 -37.497 1.00 0.00 WT4 H ATOM 48190 OH2 TIP3 964 0.013 4.102 8.995 1.00 0.00 WT4 O ATOM 48191 H1 TIP3 964 16.797 -16.525 18.031 1.00 0.00 WT4 H ATOM 48192 H2 TIP3 964 -4.425 10.462 7.455 1.00 0.00 WT4 H ATOM 48193 OH2 TIP3 970 -2.055 1.265 -2.084 1.00 0.00 WT4 O ATOM 48194 H1 TIP3 970 10.564 -13.008 -8.958 1.00 0.00 WT4 H ATOM 48195 H2 TIP3 970 6.388 6.538 -1.246 1.00 0.00 WT4 H ATOM 48196 OH2 TIP3 972 6.468 4.502 1.256 1.00 0.00 WT4 O ATOM 48197 H1 TIP3 972 -0.183 8.973 -3.097 1.00 0.00 WT4 H ATOM 48198 H2 TIP3 972 4.608 2.634 3.288 1.00 0.00 WT4 H ATOM 48199 OH2 TIP3 974 2.147 0.211 -10.596 1.00 0.00 WT4 O ATOM 48200 H1 TIP3 974 6.348 10.363 -4.647 1.00 0.00 WT4 H ATOM 48201 H2 TIP3 974 10.395 21.338 3.553 1.00 0.00 WT4 H ATOM 48202 OH2 TIP3 985 -4.525 0.307 -6.025 1.00 0.00 WT4 O ATOM 48203 H1 TIP3 985 12.633 4.988 -21.791 1.00 0.00 WT4 H ATOM 48204 H2 TIP3 985 -1.501 3.521 -8.316 1.00 0.00 WT4 H ATOM 48205 OH2 TIP3 987 0.151 4.048 3.094 1.00 0.00 WT4 O ATOM 48206 H1 TIP3 987 19.329 11.829 -6.542 1.00 0.00 WT4 H ATOM 48207 H2 TIP3 987 -10.195 -6.978 -10.916 1.00 0.00 WT4 H ATOM 48208 OH2 TIP3 988 2.208 0.975 -0.082 1.00 0.00 WT4 O ATOM 48209 H1 TIP3 988 17.913 18.305 0.416 1.00 0.00 WT4 H ATOM 48210 H2 TIP3 988 21.439 -6.404 0.125 1.00 0.00 WT4 H ATOM 48211 OH2 TIP3 992 -5.385 1.002 -0.258 1.00 0.00 WT4 O ATOM 48212 H1 TIP3 992 -9.626 2.708 -13.492 1.00 0.00 WT4 H ATOM 48213 H2 TIP3 992 17.979 15.934 -16.331 1.00 0.00 WT4 H ATOM 48214 OH2 TIP3 993 -3.383 1.184 7.337 1.00 0.00 WT4 O ATOM 48215 H1 TIP3 993 0.900 -6.462 8.591 1.00 0.00 WT4 H ATOM 48216 H2 TIP3 993 14.934 7.900 23.927 1.00 0.00 WT4 H ATOM 48217 OH2 TIP3 995 16.021 2.835 1.222 1.00 0.00 WT4 O ATOM 48218 H1 TIP3 995 16.254 -7.602 -1.314 1.00 0.00 WT4 H ATOM 48219 H2 TIP3 995 5.656 14.179 -7.385 1.00 0.00 WT4 H ATOM 48220 OH2 TIP3 1007 -3.599 2.882 -5.752 1.00 0.00 WT4 O ATOM 48221 H1 TIP3 1007 1.797 -3.302 10.722 1.00 0.00 WT4 H ATOM 48222 H2 TIP3 1007 -12.402 2.046 -0.912 1.00 0.00 WT4 H ATOM 48223 OH2 TIP3 1010 0.800 -0.129 -1.560 1.00 0.00 WT4 O ATOM 48224 H1 TIP3 1010 8.599 20.981 -3.825 1.00 0.00 WT4 H ATOM 48225 H2 TIP3 1010 -10.772 0.730 15.739 1.00 0.00 WT4 H ATOM 48226 OH2 TIP3 1011 4.147 5.749 2.951 1.00 0.00 WT4 O ATOM 48227 H1 TIP3 1011 -2.746 -3.150 24.213 1.00 0.00 WT4 H ATOM 48228 H2 TIP3 1011 13.607 1.660 8.795 1.00 0.00 WT4 H ATOM 48229 OH2 TIP3 1013 -1.730 -2.414 -0.167 1.00 0.00 WT4 O ATOM 48230 H1 TIP3 1013 0.263 0.351 -11.612 1.00 0.00 WT4 H ATOM 48231 H2 TIP3 1013 -2.985 -2.733 4.231 1.00 0.00 WT4 H ATOM 48232 OH2 TIP3 1014 9.844 4.259 -4.263 1.00 0.00 WT4 O ATOM 48233 H1 TIP3 1014 -9.217 -3.333 -9.171 1.00 0.00 WT4 H ATOM 48234 H2 TIP3 1014 16.702 17.988 -5.839 1.00 0.00 WT4 H ATOM 48235 OH2 TIP3 1017 -6.223 -2.545 -3.909 1.00 0.00 WT4 O ATOM 48236 H1 TIP3 1017 -10.107 13.712 2.766 1.00 0.00 WT4 H ATOM 48237 H2 TIP3 1017 -5.523 -14.965 16.371 1.00 0.00 WT4 H ATOM 48238 OH2 TIP3 1018 1.772 3.114 0.237 1.00 0.00 WT4 O ATOM 48239 H1 TIP3 1018 12.833 19.076 6.149 1.00 0.00 WT4 H ATOM 48240 H2 TIP3 1018 2.545 -1.292 -6.056 1.00 0.00 WT4 H ATOM 48241 OH2 TIP3 1027 -0.641 5.045 -3.734 1.00 0.00 WT4 O ATOM 48242 H1 TIP3 1027 -1.030 -12.233 2.563 1.00 0.00 WT4 H ATOM 48243 H2 TIP3 1027 0.017 2.990 -4.672 1.00 0.00 WT4 H ATOM 48244 OH2 TIP3 1032 1.135 3.289 -4.414 1.00 0.00 WT4 O ATOM 48245 H1 TIP3 1032 0.025 -12.497 -5.756 1.00 0.00 WT4 H ATOM 48246 H2 TIP3 1032 3.170 21.706 -0.878 1.00 0.00 WT4 H ATOM 48247 OH2 TIP3 1033 4.942 0.327 0.425 1.00 0.00 WT4 O ATOM 48248 H1 TIP3 1033 20.750 12.561 4.138 1.00 0.00 WT4 H ATOM 48249 H2 TIP3 1033 -0.607 -11.705 3.445 1.00 0.00 WT4 H ATOM 48250 OH2 TIP3 1040 -0.870 -2.114 -1.096 1.00 0.00 WT4 O ATOM 48251 H1 TIP3 1040 -27.088 -12.650 -3.292 1.00 0.00 WT4 H ATOM 48252 H2 TIP3 1040 10.362 3.518 -10.853 1.00 0.00 WT4 H ATOM 48253 OH2 TIP3 1051 -1.596 -1.962 -1.576 1.00 0.00 WT4 O ATOM 48254 H1 TIP3 1051 31.269 10.841 2.570 1.00 0.00 WT4 H ATOM 48255 H2 TIP3 1051 8.318 -0.203 3.713 1.00 0.00 WT4 H ATOM 48256 OH2 TIP3 1053 -1.140 -1.696 -3.916 1.00 0.00 WT4 O ATOM 48257 H1 TIP3 1053 10.671 5.205 -12.335 1.00 0.00 WT4 H ATOM 48258 H2 TIP3 1053 2.928 -10.249 8.945 1.00 0.00 WT4 H ATOM 48259 OH2 TIP3 1054 -3.049 -9.982 -6.609 1.00 0.00 WT4 O ATOM 48260 H1 TIP3 1054 0.731 -3.407 -1.869 1.00 0.00 WT4 H ATOM 48261 H2 TIP3 1054 -0.051 -11.294 3.301 1.00 0.00 WT4 H ATOM 48262 OH2 TIP3 1055 -5.092 0.682 -0.272 1.00 0.00 WT4 O ATOM 48263 H1 TIP3 1055 -7.080 0.834 0.168 1.00 0.00 WT4 H ATOM 48264 H2 TIP3 1055 -8.729 3.621 -5.368 1.00 0.00 WT4 H ATOM 48265 OH2 TIP3 1058 -3.193 -1.668 4.792 1.00 0.00 WT4 O ATOM 48266 H1 TIP3 1058 9.303 17.658 16.242 1.00 0.00 WT4 H ATOM 48267 H2 TIP3 1058 -0.830 -4.954 -23.955 1.00 0.00 WT4 H ATOM 48268 OH2 TIP3 1059 5.175 0.200 0.239 1.00 0.00 WT4 O ATOM 48269 H1 TIP3 1059 9.595 -5.642 9.793 1.00 0.00 WT4 H ATOM 48270 H2 TIP3 1059 11.146 11.225 -1.835 1.00 0.00 WT4 H ATOM 48271 OH2 TIP3 1076 0.578 1.467 -1.202 1.00 0.00 WT4 O ATOM 48272 H1 TIP3 1076 -1.310 0.468 6.278 1.00 0.00 WT4 H ATOM 48273 H2 TIP3 1076 -2.555 -4.656 -4.866 1.00 0.00 WT4 H ATOM 48274 OH2 TIP3 1094 2.857 2.003 3.132 1.00 0.00 WT4 O ATOM 48275 H1 TIP3 1094 10.782 -6.734 -5.983 1.00 0.00 WT4 H ATOM 48276 H2 TIP3 1094 -2.736 -8.315 2.191 1.00 0.00 WT4 H ATOM 48277 OH2 TIP3 1096 4.213 2.028 -1.774 1.00 0.00 WT4 O ATOM 48278 H1 TIP3 1096 14.639 10.292 -13.256 1.00 0.00 WT4 H ATOM 48279 H2 TIP3 1096 -3.839 12.557 9.229 1.00 0.00 WT4 H ATOM 48280 OH2 TIP3 1098 2.810 -8.140 -1.401 1.00 0.00 WT4 O ATOM 48281 H1 TIP3 1098 -10.816 -2.907 4.714 1.00 0.00 WT4 H ATOM 48282 H2 TIP3 1098 3.351 -11.609 -16.269 1.00 0.00 WT4 H ATOM 48283 OH2 TIP3 1112 6.712 0.747 -3.456 1.00 0.00 WT4 O ATOM 48284 H1 TIP3 1112 15.492 26.130 23.536 1.00 0.00 WT4 H ATOM 48285 H2 TIP3 1112 -5.517 -9.942 -6.491 1.00 0.00 WT4 H ATOM 48286 OH2 TIP3 1115 -7.786 2.355 4.134 1.00 0.00 WT4 O ATOM 48287 H1 TIP3 1115 -4.587 4.186 -3.696 1.00 0.00 WT4 H ATOM 48288 H2 TIP3 1115 -14.447 10.595 -52.143 1.00 0.00 WT4 H ATOM 48289 OH2 TIP3 1117 -2.071 0.721 1.347 1.00 0.00 WT4 O ATOM 48290 H1 TIP3 1117 -22.443 6.925 5.910 1.00 0.00 WT4 H ATOM 48291 H2 TIP3 1117 7.106 -1.061 0.869 1.00 0.00 WT4 H ATOM 48292 OH2 TIP3 1119 2.227 -5.111 -6.912 1.00 0.00 WT4 O ATOM 48293 H1 TIP3 1119 2.003 -2.093 -4.544 1.00 0.00 WT4 H ATOM 48294 H2 TIP3 1119 -0.938 0.360 -0.724 1.00 0.00 WT4 H ATOM 48295 OH2 TIP3 1122 -0.445 -4.954 -1.087 1.00 0.00 WT4 O ATOM 48296 H1 TIP3 1122 -9.429 -21.613 10.600 1.00 0.00 WT4 H ATOM 48297 H2 TIP3 1122 -16.173 -0.553 -25.499 1.00 0.00 WT4 H ATOM 48298 OH2 TIP3 1137 -2.354 3.336 2.039 1.00 0.00 WT4 O ATOM 48299 H1 TIP3 1137 -12.575 19.867 8.069 1.00 0.00 WT4 H ATOM 48300 H2 TIP3 1137 19.652 -9.392 -7.532 1.00 0.00 WT4 H ATOM 48301 OH2 TIP3 1201 -1.707 -1.581 1.031 1.00 0.00 WT4 O ATOM 48302 H1 TIP3 1201 -12.621 16.422 13.592 1.00 0.00 WT4 H ATOM 48303 H2 TIP3 1201 18.542 8.828 4.386 1.00 0.00 WT4 H ATOM 48304 OH2 TIP3 1301 -0.135 4.384 -4.144 1.00 0.00 WT4 O ATOM 48305 H1 TIP3 1301 -21.256 11.437 6.881 1.00 0.00 WT4 H ATOM 48306 H2 TIP3 1301 3.484 -6.458 10.570 1.00 0.00 WT4 H ATOM 48307 OH2 TIP3 1305 -12.072 -3.238 -6.769 1.00 0.00 WT4 O ATOM 48308 H1 TIP3 1305 2.810 -19.429 5.107 1.00 0.00 WT4 H ATOM 48309 H2 TIP3 1305 -2.420 21.787 -0.741 1.00 0.00 WT4 H ATOM 48310 OH2 TIP3 1307 5.576 1.723 -3.243 1.00 0.00 WT4 O ATOM 48311 H1 TIP3 1307 -18.810 6.617 4.932 1.00 0.00 WT4 H ATOM 48312 H2 TIP3 1307 4.458 -20.852 2.831 1.00 0.00 WT4 H ATOM 48313 OH2 TIP3 1308 1.130 0.732 -4.503 1.00 0.00 WT4 O ATOM 48314 H1 TIP3 1308 0.525 7.383 -5.082 1.00 0.00 WT4 H ATOM 48315 H2 TIP3 1308 5.239 1.019 2.597 1.00 0.00 WT4 H ATOM 48316 OH2 TIP3 1322 0.472 0.558 -8.082 1.00 0.00 WT4 O ATOM 48317 H1 TIP3 1322 -1.255 -27.231 2.292 1.00 0.00 WT4 H ATOM 48318 H2 TIP3 1322 -14.482 20.558 -21.079 1.00 0.00 WT4 H ATOM 48319 OH2 TIP3 1327 -5.600 0.657 0.048 1.00 0.00 WT4 O ATOM 48320 H1 TIP3 1327 2.882 -10.203 -13.345 1.00 0.00 WT4 H ATOM 48321 H2 TIP3 1327 -9.330 7.079 -8.117 1.00 0.00 WT4 H ATOM 48322 OH2 TIP3 1328 2.407 0.367 -1.340 1.00 0.00 WT4 O ATOM 48323 H1 TIP3 1328 -3.313 3.505 -23.268 1.00 0.00 WT4 H ATOM 48324 H2 TIP3 1328 24.266 7.130 0.119 1.00 0.00 WT4 H ATOM 48325 OH2 TIP3 1329 2.482 -3.604 5.986 1.00 0.00 WT4 O ATOM 48326 H1 TIP3 1329 -0.941 10.188 2.461 1.00 0.00 WT4 H ATOM 48327 H2 TIP3 1329 27.380 -1.868 23.838 1.00 0.00 WT4 H ATOM 48328 OH2 TIP3 1330 2.390 1.322 -2.939 1.00 0.00 WT4 O ATOM 48329 H1 TIP3 1330 1.092 12.065 3.269 1.00 0.00 WT4 H ATOM 48330 H2 TIP3 1330 -11.758 -18.264 7.285 1.00 0.00 WT4 H ATOM 48331 OH2 TIP3 1331 -0.729 3.317 -0.036 1.00 0.00 WT4 O ATOM 48332 H1 TIP3 1331 -2.525 0.451 8.705 1.00 0.00 WT4 H ATOM 48333 H2 TIP3 1331 -5.247 -1.683 4.477 1.00 0.00 WT4 H ATOM 48334 OH2 TIP3 1333 -0.992 8.124 -0.060 1.00 0.00 WT4 O ATOM 48335 H1 TIP3 1333 12.421 -21.097 17.262 1.00 0.00 WT4 H ATOM 48336 H2 TIP3 1333 29.619 9.853 -4.567 1.00 0.00 WT4 H ATOM 48337 OH2 TIP3 1344 -0.235 -0.813 0.093 1.00 0.00 WT4 O ATOM 48338 H1 TIP3 1344 8.072 10.133 9.708 1.00 0.00 WT4 H ATOM 48339 H2 TIP3 1344 5.039 11.665 -17.842 1.00 0.00 WT4 H ATOM 48340 OH2 TIP3 1349 1.222 4.016 1.925 1.00 0.00 WT4 O ATOM 48341 H1 TIP3 1349 7.374 0.472 -5.883 1.00 0.00 WT4 H ATOM 48342 H2 TIP3 1349 -7.143 13.046 -25.325 1.00 0.00 WT4 H ATOM 48343 OH2 TIP3 1350 2.031 2.415 -2.547 1.00 0.00 WT4 O ATOM 48344 H1 TIP3 1350 13.295 9.996 -5.188 1.00 0.00 WT4 H ATOM 48345 H2 TIP3 1350 6.104 5.550 -3.421 1.00 0.00 WT4 H ATOM 48346 OH2 TIP3 1351 -3.154 2.304 -5.013 1.00 0.00 WT4 O ATOM 48347 H1 TIP3 1351 16.405 18.142 2.298 1.00 0.00 WT4 H ATOM 48348 H2 TIP3 1351 14.108 20.978 -16.376 1.00 0.00 WT4 H ATOM 48349 OH2 TIP3 1352 -1.871 -1.362 4.232 1.00 0.00 WT4 O ATOM 48350 H1 TIP3 1352 -19.006 -6.492 2.245 1.00 0.00 WT4 H ATOM 48351 H2 TIP3 1352 -6.527 10.693 0.559 1.00 0.00 WT4 H ATOM 48352 OH2 TIP3 1354 5.999 -7.393 -1.164 1.00 0.00 WT4 O ATOM 48353 H1 TIP3 1354 6.178 -15.829 -0.664 1.00 0.00 WT4 H ATOM 48354 H2 TIP3 1354 15.533 -3.054 -0.149 1.00 0.00 WT4 H ATOM 48355 OH2 TIP3 1367 4.967 5.415 -2.898 1.00 0.00 WT4 O ATOM 48356 H1 TIP3 1367 1.553 6.939 -11.699 1.00 0.00 WT4 H ATOM 48357 H2 TIP3 1367 -5.726 4.628 6.974 1.00 0.00 WT4 H ATOM 48358 OH2 TIP3 1368 2.915 -1.947 -3.580 1.00 0.00 WT4 O ATOM 48359 H1 TIP3 1368 -15.609 -11.867 -14.968 1.00 0.00 WT4 H ATOM 48360 H2 TIP3 1368 2.289 -7.610 -9.429 1.00 0.00 WT4 H ATOM 48361 OH2 TIP3 1370 3.920 -1.089 4.141 1.00 0.00 WT4 O ATOM 48362 H1 TIP3 1370 -0.888 -4.965 6.645 1.00 0.00 WT4 H ATOM 48363 H2 TIP3 1370 12.433 5.308 -0.328 1.00 0.00 WT4 H ATOM 48364 OH2 TIP3 1371 2.359 -2.705 -3.635 1.00 0.00 WT4 O ATOM 48365 H1 TIP3 1371 9.769 0.319 -28.196 1.00 0.00 WT4 H ATOM 48366 H2 TIP3 1371 6.198 -19.905 -22.400 1.00 0.00 WT4 H ATOM 48367 OH2 TIP3 1374 2.289 2.777 -2.193 1.00 0.00 WT4 O ATOM 48368 H1 TIP3 1374 22.882 -7.725 -6.476 1.00 0.00 WT4 H ATOM 48369 H2 TIP3 1374 2.871 15.167 6.075 1.00 0.00 WT4 H ATOM 48370 OH2 TIP3 1375 0.670 -0.316 -3.083 1.00 0.00 WT4 O ATOM 48371 H1 TIP3 1375 1.013 1.462 -6.868 1.00 0.00 WT4 H ATOM 48372 H2 TIP3 1375 -0.584 2.203 -5.544 1.00 0.00 WT4 H ATOM 48373 OH2 TIP3 1386 -3.149 3.273 -2.022 1.00 0.00 WT4 O ATOM 48374 H1 TIP3 1386 -5.511 -5.685 1.415 1.00 0.00 WT4 H ATOM 48375 H2 TIP3 1386 -10.055 9.523 -3.724 1.00 0.00 WT4 H ATOM 48376 OH2 TIP3 1387 1.424 2.167 -3.441 1.00 0.00 WT4 O ATOM 48377 H1 TIP3 1387 -0.320 3.475 3.674 1.00 0.00 WT4 H ATOM 48378 H2 TIP3 1387 -7.390 2.843 3.570 1.00 0.00 WT4 H ATOM 48379 OH2 TIP3 1388 -2.773 -9.208 -5.764 1.00 0.00 WT4 O ATOM 48380 H1 TIP3 1388 -3.393 0.301 -0.284 1.00 0.00 WT4 H ATOM 48381 H2 TIP3 1388 2.023 11.944 -15.321 1.00 0.00 WT4 H ATOM 48382 OH2 TIP3 1389 -1.547 -0.532 7.083 1.00 0.00 WT4 O ATOM 48383 H1 TIP3 1389 -18.228 -3.732 -5.444 1.00 0.00 WT4 H ATOM 48384 H2 TIP3 1389 0.423 -10.062 25.900 1.00 0.00 WT4 H ATOM 48385 OH2 TIP3 1392 1.168 -1.764 3.954 1.00 0.00 WT4 O ATOM 48386 H1 TIP3 1392 -13.087 -15.024 7.867 1.00 0.00 WT4 H ATOM 48387 H2 TIP3 1392 12.791 17.871 -10.899 1.00 0.00 WT4 H ATOM 48388 OH2 TIP3 1393 8.433 3.664 3.731 1.00 0.00 WT4 O ATOM 48389 H1 TIP3 1393 -2.259 0.188 -4.249 1.00 0.00 WT4 H ATOM 48390 H2 TIP3 1393 9.040 -3.824 1.737 1.00 0.00 WT4 H ATOM 48391 OH2 TIP3 1407 -4.033 0.140 0.922 1.00 0.00 WT4 O ATOM 48392 H1 TIP3 1407 -6.273 14.452 21.329 1.00 0.00 WT4 H ATOM 48393 H2 TIP3 1407 7.578 -15.454 7.136 1.00 0.00 WT4 H ATOM 48394 OH2 TIP3 1408 1.700 -1.268 -3.293 1.00 0.00 WT4 O ATOM 48395 H1 TIP3 1408 14.885 -13.983 -2.063 1.00 0.00 WT4 H ATOM 48396 H2 TIP3 1408 11.667 18.731 -3.622 1.00 0.00 WT4 H ATOM 48397 OH2 TIP3 1411 0.576 -7.824 2.166 1.00 0.00 WT4 O ATOM 48398 H1 TIP3 1411 7.595 -19.012 -6.614 1.00 0.00 WT4 H ATOM 48399 H2 TIP3 1411 8.904 -8.473 -7.433 1.00 0.00 WT4 H ATOM 48400 OH2 TIP3 1412 -4.782 -3.311 2.271 1.00 0.00 WT4 O ATOM 48401 H1 TIP3 1412 4.441 15.281 7.762 1.00 0.00 WT4 H ATOM 48402 H2 TIP3 1412 -6.572 -12.785 -9.578 1.00 0.00 WT4 H ATOM 48403 OH2 TIP3 1413 0.102 -7.598 7.762 1.00 0.00 WT4 O ATOM 48404 H1 TIP3 1413 17.210 18.990 -3.709 1.00 0.00 WT4 H ATOM 48405 H2 TIP3 1413 7.190 -23.949 15.696 1.00 0.00 WT4 H ATOM 48406 OH2 TIP3 1414 -5.432 -4.119 0.037 1.00 0.00 WT4 O ATOM 48407 H1 TIP3 1414 -1.993 -12.234 -10.367 1.00 0.00 WT4 H ATOM 48408 H2 TIP3 1414 17.903 6.649 2.558 1.00 0.00 WT4 H ATOM 48409 OH2 TIP3 1415 1.231 -0.833 7.045 1.00 0.00 WT4 O ATOM 48410 H1 TIP3 1415 6.950 -11.710 7.822 1.00 0.00 WT4 H ATOM 48411 H2 TIP3 1415 -1.292 -4.577 -4.897 1.00 0.00 WT4 H ATOM 48412 OH2 TIP3 1418 -1.775 -0.268 1.079 1.00 0.00 WT4 O ATOM 48413 H1 TIP3 1418 -7.356 5.781 1.837 1.00 0.00 WT4 H ATOM 48414 H2 TIP3 1418 -19.328 23.376 17.152 1.00 0.00 WT4 H ATOM 48415 OH2 TIP3 1425 -2.347 0.546 3.962 1.00 0.00 WT4 O ATOM 48416 H1 TIP3 1425 -25.164 2.290 4.383 1.00 0.00 WT4 H ATOM 48417 H2 TIP3 1425 4.622 -1.178 0.062 1.00 0.00 WT4 H ATOM 48418 OH2 TIP3 1427 6.127 1.291 0.141 1.00 0.00 WT4 O ATOM 48419 H1 TIP3 1427 7.163 -4.838 0.963 1.00 0.00 WT4 H ATOM 48420 H2 TIP3 1427 9.141 1.993 -0.286 1.00 0.00 WT4 H ATOM 48421 OH2 TIP3 1428 -2.891 4.367 0.015 1.00 0.00 WT4 O ATOM 48422 H1 TIP3 1428 7.354 5.301 1.194 1.00 0.00 WT4 H ATOM 48423 H2 TIP3 1428 22.888 9.319 12.073 1.00 0.00 WT4 H ATOM 48424 OH2 TIP3 1429 -3.157 8.672 0.304 1.00 0.00 WT4 O ATOM 48425 H1 TIP3 1429 -4.005 -13.017 -6.351 1.00 0.00 WT4 H ATOM 48426 H2 TIP3 1429 -3.695 2.612 5.033 1.00 0.00 WT4 H ATOM 48427 OH2 TIP3 1430 2.961 6.379 1.991 1.00 0.00 WT4 O ATOM 48428 H1 TIP3 1430 -1.619 11.160 -14.379 1.00 0.00 WT4 H ATOM 48429 H2 TIP3 1430 -14.560 -3.262 10.825 1.00 0.00 WT4 H ATOM 48430 OH2 TIP3 1431 0.667 -1.130 -0.459 1.00 0.00 WT4 O ATOM 48431 H1 TIP3 1431 -5.549 -5.354 -16.830 1.00 0.00 WT4 H ATOM 48432 H2 TIP3 1431 1.052 8.202 -11.091 1.00 0.00 WT4 H ATOM 48433 OH2 TIP3 1433 6.283 -4.677 5.010 1.00 0.00 WT4 O ATOM 48434 H1 TIP3 1433 7.575 -5.134 7.236 1.00 0.00 WT4 H ATOM 48435 H2 TIP3 1433 -4.877 -2.370 10.223 1.00 0.00 WT4 H ATOM 48436 OH2 TIP3 1435 4.898 -3.072 -3.749 1.00 0.00 WT4 O ATOM 48437 H1 TIP3 1435 -1.318 -11.560 13.619 1.00 0.00 WT4 H ATOM 48438 H2 TIP3 1435 19.896 0.022 -10.559 1.00 0.00 WT4 H ATOM 48439 OH2 TIP3 1450 2.068 -0.135 2.699 1.00 0.00 WT4 O ATOM 48440 H1 TIP3 1450 -5.548 2.123 6.311 1.00 0.00 WT4 H ATOM 48441 H2 TIP3 1450 -0.350 -7.964 -1.856 1.00 0.00 WT4 H ATOM 48442 OH2 TIP3 1451 -0.723 -7.009 1.134 1.00 0.00 WT4 O ATOM 48443 H1 TIP3 1451 8.715 13.008 -14.011 1.00 0.00 WT4 H ATOM 48444 H2 TIP3 1451 0.300 1.136 13.848 1.00 0.00 WT4 H ATOM 48445 OH2 TIP3 1452 -0.067 3.740 4.544 1.00 0.00 WT4 O ATOM 48446 H1 TIP3 1452 8.231 -5.468 3.083 1.00 0.00 WT4 H ATOM 48447 H2 TIP3 1452 2.602 9.434 11.522 1.00 0.00 WT4 H ATOM 48448 OH2 TIP3 1453 5.322 -5.236 -0.708 1.00 0.00 WT4 O ATOM 48449 H1 TIP3 1453 -11.354 7.777 -5.290 1.00 0.00 WT4 H ATOM 48450 H2 TIP3 1453 -14.843 -0.466 -5.857 1.00 0.00 WT4 H ATOM 48451 OH2 TIP3 1454 -2.237 2.051 2.885 1.00 0.00 WT4 O ATOM 48452 H1 TIP3 1454 5.699 -1.882 13.693 1.00 0.00 WT4 H ATOM 48453 H2 TIP3 1454 -12.049 18.203 -27.285 1.00 0.00 WT4 H ATOM 48454 OH2 TIP3 1457 -1.165 2.690 2.549 1.00 0.00 WT4 O ATOM 48455 H1 TIP3 1457 2.027 -0.846 -0.945 1.00 0.00 WT4 H ATOM 48456 H2 TIP3 1457 16.468 -17.655 -19.035 1.00 0.00 WT4 H ATOM 48457 OH2 TIP3 1458 1.281 -2.059 0.561 1.00 0.00 WT4 O ATOM 48458 H1 TIP3 1458 0.820 1.955 -7.025 1.00 0.00 WT4 H ATOM 48459 H2 TIP3 1458 5.124 -12.432 18.066 1.00 0.00 WT4 H ATOM 48460 OH2 TIP3 1474 1.453 4.143 -8.618 1.00 0.00 WT4 O ATOM 48461 H1 TIP3 1474 6.719 12.161 -5.807 1.00 0.00 WT4 H ATOM 48462 H2 TIP3 1474 1.591 -1.553 -8.194 1.00 0.00 WT4 H ATOM 48463 OH2 TIP3 1478 -6.186 -9.515 -6.401 1.00 0.00 WT4 O ATOM 48464 H1 TIP3 1478 -6.922 -12.094 -17.002 1.00 0.00 WT4 H ATOM 48465 H2 TIP3 1478 21.445 -6.466 -3.142 1.00 0.00 WT4 H ATOM 48466 OH2 TIP3 1480 2.305 -2.192 -0.403 1.00 0.00 WT4 O ATOM 48467 H1 TIP3 1480 -7.272 -2.928 -3.261 1.00 0.00 WT4 H ATOM 48468 H2 TIP3 1480 -13.686 -6.925 18.061 1.00 0.00 WT4 H ATOM 48469 OH2 TIP3 1493 -1.120 -1.966 -2.554 1.00 0.00 WT4 O ATOM 48470 H1 TIP3 1493 -1.930 -2.272 12.074 1.00 0.00 WT4 H ATOM 48471 H2 TIP3 1493 -1.235 -0.760 28.657 1.00 0.00 WT4 H ATOM 48472 OH2 TIP3 1494 -2.288 5.806 4.281 1.00 0.00 WT4 O ATOM 48473 H1 TIP3 1494 1.194 0.328 -19.646 1.00 0.00 WT4 H ATOM 48474 H2 TIP3 1494 -0.614 5.935 1.203 1.00 0.00 WT4 H ATOM 48475 OH2 TIP3 1496 -5.534 5.712 3.654 1.00 0.00 WT4 O ATOM 48476 H1 TIP3 1496 31.263 19.529 -3.072 1.00 0.00 WT4 H ATOM 48477 H2 TIP3 1496 10.784 -4.948 -13.518 1.00 0.00 WT4 H ATOM 48478 OH2 TIP3 1497 7.162 0.528 1.766 1.00 0.00 WT4 O ATOM 48479 H1 TIP3 1497 11.979 -15.239 2.052 1.00 0.00 WT4 H ATOM 48480 H2 TIP3 1497 17.764 1.929 4.982 1.00 0.00 WT4 H ATOM 48481 OH2 TIP3 1499 -2.217 -2.237 -5.028 1.00 0.00 WT4 O ATOM 48482 H1 TIP3 1499 -11.064 -7.428 -7.537 1.00 0.00 WT4 H ATOM 48483 H2 TIP3 1499 -5.475 -3.345 6.782 1.00 0.00 WT4 H ATOM 48484 OH2 TIP3 1512 -1.739 -1.222 4.162 1.00 0.00 WT4 O ATOM 48485 H1 TIP3 1512 -9.454 15.821 -1.359 1.00 0.00 WT4 H ATOM 48486 H2 TIP3 1512 14.975 0.838 18.323 1.00 0.00 WT4 H ATOM 48487 OH2 TIP3 1515 4.130 1.307 9.845 1.00 0.00 WT4 O ATOM 48488 H1 TIP3 1515 5.467 6.414 -6.610 1.00 0.00 WT4 H ATOM 48489 H2 TIP3 1515 -15.967 -14.861 -13.039 1.00 0.00 WT4 H ATOM 48490 OH2 TIP3 1519 -3.690 -1.139 -2.851 1.00 0.00 WT4 O ATOM 48491 H1 TIP3 1519 -7.301 0.410 0.736 1.00 0.00 WT4 H ATOM 48492 H2 TIP3 1519 11.746 -2.395 -7.536 1.00 0.00 WT4 H ATOM 48493 OH2 TIP3 1532 6.870 -0.615 -0.401 1.00 0.00 WT4 O ATOM 48494 H1 TIP3 1532 -14.979 1.268 9.228 1.00 0.00 WT4 H ATOM 48495 H2 TIP3 1532 14.776 -17.011 -26.359 1.00 0.00 WT4 H ATOM 48496 OH2 TIP3 1551 4.318 1.514 -8.119 1.00 0.00 WT4 O ATOM 48497 H1 TIP3 1551 16.064 -2.913 28.973 1.00 0.00 WT4 H ATOM 48498 H2 TIP3 1551 -5.116 -4.863 -28.681 1.00 0.00 WT4 H ATOM 48499 OH2 TIP3 1558 0.674 2.296 -7.473 1.00 0.00 WT4 O ATOM 48500 H1 TIP3 1558 10.967 15.064 -8.289 1.00 0.00 WT4 H ATOM 48501 H2 TIP3 1558 -11.739 -6.684 -1.855 1.00 0.00 WT4 H ATOM 48502 OH2 TIP3 1559 1.661 4.285 -5.134 1.00 0.00 WT4 O ATOM 48503 H1 TIP3 1559 4.001 5.290 -11.492 1.00 0.00 WT4 H ATOM 48504 H2 TIP3 1559 2.259 7.314 10.276 1.00 0.00 WT4 H ATOM 48505 OH2 TIP3 1618 -2.852 0.523 -2.276 1.00 0.00 WT4 O ATOM 48506 H1 TIP3 1618 7.496 6.567 14.120 1.00 0.00 WT4 H ATOM 48507 H2 TIP3 1618 4.071 -15.111 -9.051 1.00 0.00 WT4 H ATOM 48508 OH2 TIP3 1621 -0.857 1.086 1.293 1.00 0.00 WT4 O ATOM 48509 H1 TIP3 1621 -1.101 -3.199 -0.583 1.00 0.00 WT4 H ATOM 48510 H2 TIP3 1621 1.054 14.565 8.440 1.00 0.00 WT4 H ATOM 48511 OH2 TIP3 1707 3.740 -4.348 -4.510 1.00 0.00 WT4 O ATOM 48512 H1 TIP3 1707 39.285 -0.005 -8.999 1.00 0.00 WT4 H ATOM 48513 H2 TIP3 1707 -10.062 -6.538 -2.765 1.00 0.00 WT4 H ATOM 48514 OH2 TIP3 1712 0.309 -4.645 2.307 1.00 0.00 WT4 O ATOM 48515 H1 TIP3 1712 -27.979 10.948 -19.550 1.00 0.00 WT4 H ATOM 48516 H2 TIP3 1712 12.188 12.986 4.853 1.00 0.00 WT4 H ATOM 48517 OH2 TIP3 1723 3.706 -2.134 -6.511 1.00 0.00 WT4 O ATOM 48518 H1 TIP3 1723 -1.059 1.101 1.931 1.00 0.00 WT4 H ATOM 48519 H2 TIP3 1723 -0.344 -9.920 -8.217 1.00 0.00 WT4 H ATOM 48520 OH2 TIP3 1725 -5.812 2.358 1.084 1.00 0.00 WT4 O ATOM 48521 H1 TIP3 1725 -1.974 -14.519 -1.279 1.00 0.00 WT4 H ATOM 48522 H2 TIP3 1725 -19.457 18.280 -9.956 1.00 0.00 WT4 H ATOM 48523 OH2 TIP3 1730 -3.655 -0.224 0.671 1.00 0.00 WT4 O ATOM 48524 H1 TIP3 1730 0.832 -7.772 29.287 1.00 0.00 WT4 H ATOM 48525 H2 TIP3 1730 -6.208 20.422 7.754 1.00 0.00 WT4 H ATOM 48526 OH2 TIP3 1733 -1.846 5.042 0.823 1.00 0.00 WT4 O ATOM 48527 H1 TIP3 1733 -11.095 -6.559 -4.842 1.00 0.00 WT4 H ATOM 48528 H2 TIP3 1733 0.697 3.769 -2.008 1.00 0.00 WT4 H ATOM 48529 OH2 TIP3 1746 0.040 -2.266 -2.315 1.00 0.00 WT4 O ATOM 48530 H1 TIP3 1746 3.396 -17.616 -3.464 1.00 0.00 WT4 H ATOM 48531 H2 TIP3 1746 -11.281 4.842 -11.025 1.00 0.00 WT4 H ATOM 48532 OH2 TIP3 1748 -1.010 3.780 -7.444 1.00 0.00 WT4 O ATOM 48533 H1 TIP3 1748 -9.626 10.814 -3.020 1.00 0.00 WT4 H ATOM 48534 H2 TIP3 1748 3.508 5.241 -13.127 1.00 0.00 WT4 H ATOM 48535 OH2 TIP3 1750 -7.898 4.781 3.253 1.00 0.00 WT4 O ATOM 48536 H1 TIP3 1750 -6.772 -4.539 29.331 1.00 0.00 WT4 H ATOM 48537 H2 TIP3 1750 19.513 6.306 -9.203 1.00 0.00 WT4 H ATOM 48538 OH2 TIP3 1764 -1.031 1.382 -2.684 1.00 0.00 WT4 O ATOM 48539 H1 TIP3 1764 7.672 -4.893 -0.769 1.00 0.00 WT4 H ATOM 48540 H2 TIP3 1764 -16.930 13.015 -3.897 1.00 0.00 WT4 H ATOM 48541 OH2 TIP3 1766 -3.756 -10.099 0.757 1.00 0.00 WT4 O ATOM 48542 H1 TIP3 1766 6.988 -0.681 2.015 1.00 0.00 WT4 H ATOM 48543 H2 TIP3 1766 5.091 9.895 29.419 1.00 0.00 WT4 H ATOM 48544 OH2 TIP3 1768 -2.671 -1.592 -0.593 1.00 0.00 WT4 O ATOM 48545 H1 TIP3 1768 15.511 -3.627 -1.103 1.00 0.00 WT4 H ATOM 48546 H2 TIP3 1768 -5.790 18.752 -9.465 1.00 0.00 WT4 H ATOM 48547 OH2 TIP3 1771 -0.680 3.228 4.994 1.00 0.00 WT4 O ATOM 48548 H1 TIP3 1771 -11.468 -2.258 11.396 1.00 0.00 WT4 H ATOM 48549 H2 TIP3 1771 -23.973 0.448 0.472 1.00 0.00 WT4 H ATOM 48550 OH2 TIP3 1773 1.795 3.640 -4.169 1.00 0.00 WT4 O ATOM 48551 H1 TIP3 1773 4.984 -10.324 -6.777 1.00 0.00 WT4 H ATOM 48552 H2 TIP3 1773 6.880 11.690 -3.837 1.00 0.00 WT4 H ATOM 48553 OH2 TIP3 1788 -4.089 -1.257 4.994 1.00 0.00 WT4 O ATOM 48554 H1 TIP3 1788 -6.603 -5.359 -7.424 1.00 0.00 WT4 H ATOM 48555 H2 TIP3 1788 -2.457 -2.695 1.956 1.00 0.00 WT4 H ATOM 48556 OH2 TIP3 1789 -2.964 -0.047 2.668 1.00 0.00 WT4 O ATOM 48557 H1 TIP3 1789 -3.064 -4.495 -5.771 1.00 0.00 WT4 H ATOM 48558 H2 TIP3 1789 -12.513 -0.675 15.673 1.00 0.00 WT4 H ATOM 48559 OH2 TIP3 1790 -0.129 4.816 2.230 1.00 0.00 WT4 O ATOM 48560 H1 TIP3 1790 1.347 -30.712 18.237 1.00 0.00 WT4 H ATOM 48561 H2 TIP3 1790 -4.477 -7.268 15.679 1.00 0.00 WT4 H ATOM 48562 OH2 TIP3 1795 -1.570 0.963 4.196 1.00 0.00 WT4 O ATOM 48563 H1 TIP3 1795 -6.719 2.424 4.392 1.00 0.00 WT4 H ATOM 48564 H2 TIP3 1795 -2.211 -5.539 5.186 1.00 0.00 WT4 H ATOM 48565 OH2 TIP3 1796 3.103 -3.257 1.125 1.00 0.00 WT4 O ATOM 48566 H1 TIP3 1796 -3.936 2.333 -34.761 1.00 0.00 WT4 H ATOM 48567 H2 TIP3 1796 -10.678 -1.357 -12.134 1.00 0.00 WT4 H ATOM 48568 OH2 TIP3 1810 -4.635 -2.703 -3.066 1.00 0.00 WT4 O ATOM 48569 H1 TIP3 1810 -2.064 -11.369 -1.451 1.00 0.00 WT4 H ATOM 48570 H2 TIP3 1810 -3.316 -11.047 0.581 1.00 0.00 WT4 H ATOM 48571 OH2 TIP3 1811 -3.945 5.835 0.431 1.00 0.00 WT4 O ATOM 48572 H1 TIP3 1811 -4.379 7.005 0.898 1.00 0.00 WT4 H ATOM 48573 H2 TIP3 1811 -5.266 10.669 1.370 1.00 0.00 WT4 H ATOM 48574 OH2 TIP3 1813 4.451 2.927 -5.276 1.00 0.00 WT4 O ATOM 48575 H1 TIP3 1813 31.827 -6.227 14.190 1.00 0.00 WT4 H ATOM 48576 H2 TIP3 1813 -9.144 17.938 -6.932 1.00 0.00 WT4 H ATOM 48577 OH2 TIP3 1814 -3.768 -3.775 0.272 1.00 0.00 WT4 O ATOM 48578 H1 TIP3 1814 -5.438 0.619 -24.867 1.00 0.00 WT4 H ATOM 48579 H2 TIP3 1814 5.833 3.316 -6.335 1.00 0.00 WT4 H ATOM 48580 OH2 TIP3 1816 5.356 8.769 -2.138 1.00 0.00 WT4 O ATOM 48581 H1 TIP3 1816 2.531 17.207 -13.625 1.00 0.00 WT4 H ATOM 48582 H2 TIP3 1816 -2.477 4.576 7.278 1.00 0.00 WT4 H ATOM 48583 OH2 TIP3 1829 0.295 -2.001 0.218 1.00 0.00 WT4 O ATOM 48584 H1 TIP3 1829 -9.474 -4.037 1.072 1.00 0.00 WT4 H ATOM 48585 H2 TIP3 1829 -7.500 -10.744 4.784 1.00 0.00 WT4 H ATOM 48586 OH2 TIP3 1830 7.496 0.679 0.054 1.00 0.00 WT4 O ATOM 48587 H1 TIP3 1830 -26.367 4.522 12.263 1.00 0.00 WT4 H ATOM 48588 H2 TIP3 1830 16.353 5.554 -2.981 1.00 0.00 WT4 H ATOM 48589 OH2 TIP3 1831 -1.430 -1.035 -5.433 1.00 0.00 WT4 O ATOM 48590 H1 TIP3 1831 7.457 -0.101 4.620 1.00 0.00 WT4 H ATOM 48591 H2 TIP3 1831 0.462 -5.000 -16.035 1.00 0.00 WT4 H ATOM 48592 OH2 TIP3 1832 -10.570 2.715 -1.831 1.00 0.00 WT4 O ATOM 48593 H1 TIP3 1832 9.880 -13.927 -8.367 1.00 0.00 WT4 H ATOM 48594 H2 TIP3 1832 -1.974 -0.595 -6.765 1.00 0.00 WT4 H ATOM 48595 OH2 TIP3 1835 2.972 0.878 4.796 1.00 0.00 WT4 O ATOM 48596 H1 TIP3 1835 -10.699 -7.715 8.238 1.00 0.00 WT4 H ATOM 48597 H2 TIP3 1835 6.572 13.198 13.800 1.00 0.00 WT4 H ATOM 48598 OH2 TIP3 1837 8.529 2.172 -0.286 1.00 0.00 WT4 O ATOM 48599 H1 TIP3 1837 -8.183 0.291 7.714 1.00 0.00 WT4 H ATOM 48600 H2 TIP3 1837 2.572 8.447 -16.174 1.00 0.00 WT4 H ATOM 48601 OH2 TIP3 1847 -2.399 -6.376 7.344 1.00 0.00 WT4 O ATOM 48602 H1 TIP3 1847 1.969 -3.593 12.131 1.00 0.00 WT4 H ATOM 48603 H2 TIP3 1847 10.664 -32.810 18.631 1.00 0.00 WT4 H ATOM 48604 OH2 TIP3 1850 4.917 0.255 -9.614 1.00 0.00 WT4 O ATOM 48605 H1 TIP3 1850 19.854 -14.681 6.480 1.00 0.00 WT4 H ATOM 48606 H2 TIP3 1850 -1.363 15.316 -22.428 1.00 0.00 WT4 H ATOM 48607 OH2 TIP3 1851 5.704 0.997 -1.285 1.00 0.00 WT4 O ATOM 48608 H1 TIP3 1851 16.398 -4.023 -3.031 1.00 0.00 WT4 H ATOM 48609 H2 TIP3 1851 -2.500 -3.353 -2.391 1.00 0.00 WT4 H ATOM 48610 OH2 TIP3 1852 -2.512 0.334 -7.003 1.00 0.00 WT4 O ATOM 48611 H1 TIP3 1852 -0.740 0.059 -19.145 1.00 0.00 WT4 H ATOM 48612 H2 TIP3 1852 -3.809 0.763 -4.490 1.00 0.00 WT4 H ATOM 48613 OH2 TIP3 1853 9.286 -1.070 2.794 1.00 0.00 WT4 O ATOM 48614 H1 TIP3 1853 9.190 1.513 8.100 1.00 0.00 WT4 H ATOM 48615 H2 TIP3 1853 -15.458 -5.325 -7.304 1.00 0.00 WT4 H ATOM 48616 OH2 TIP3 1856 -6.491 4.284 -5.821 1.00 0.00 WT4 O ATOM 48617 H1 TIP3 1856 9.432 0.889 -0.782 1.00 0.00 WT4 H ATOM 48618 H2 TIP3 1856 10.796 12.864 -13.100 1.00 0.00 WT4 H ATOM 48619 OH2 TIP3 1870 2.506 0.701 -2.929 1.00 0.00 WT4 O ATOM 48620 H1 TIP3 1870 3.609 11.644 -7.682 1.00 0.00 WT4 H ATOM 48621 H2 TIP3 1870 -17.368 -3.596 -5.844 1.00 0.00 WT4 H ATOM 48622 OH2 TIP3 1871 -1.863 -3.507 2.135 1.00 0.00 WT4 O ATOM 48623 H1 TIP3 1871 -9.628 7.397 -0.872 1.00 0.00 WT4 H ATOM 48624 H2 TIP3 1871 -9.740 -10.537 -6.742 1.00 0.00 WT4 H ATOM 48625 OH2 TIP3 1872 6.880 -8.399 -1.047 1.00 0.00 WT4 O ATOM 48626 H1 TIP3 1872 3.775 -0.722 -2.295 1.00 0.00 WT4 H ATOM 48627 H2 TIP3 1872 3.166 -10.346 3.180 1.00 0.00 WT4 H ATOM 48628 OH2 TIP3 1873 3.987 2.557 -0.400 1.00 0.00 WT4 O ATOM 48629 H1 TIP3 1873 -6.370 -7.142 -9.701 1.00 0.00 WT4 H ATOM 48630 H2 TIP3 1873 -18.465 9.661 -17.471 1.00 0.00 WT4 H ATOM 48631 OH2 TIP3 1875 -0.567 2.479 -5.189 1.00 0.00 WT4 O ATOM 48632 H1 TIP3 1875 -17.761 10.976 -4.865 1.00 0.00 WT4 H ATOM 48633 H2 TIP3 1875 4.058 0.078 9.227 1.00 0.00 WT4 H ATOM 48634 OH2 TIP3 1881 -6.020 0.788 3.448 1.00 0.00 WT4 O ATOM 48635 H1 TIP3 1881 0.480 10.220 24.005 1.00 0.00 WT4 H ATOM 48636 H2 TIP3 1881 15.486 3.864 -13.032 1.00 0.00 WT4 H ATOM 48637 OH2 TIP3 1885 -2.321 -5.155 -4.496 1.00 0.00 WT4 O ATOM 48638 H1 TIP3 1885 -7.026 17.221 -4.458 1.00 0.00 WT4 H ATOM 48639 H2 TIP3 1885 -7.309 3.611 -35.417 1.00 0.00 WT4 H ATOM 48640 OH2 TIP3 1891 3.892 -2.483 -0.919 1.00 0.00 WT4 O ATOM 48641 H1 TIP3 1891 3.137 31.769 -32.316 1.00 0.00 WT4 H ATOM 48642 H2 TIP3 1891 -27.290 -10.497 -3.689 1.00 0.00 WT4 H ATOM 48643 OH2 TIP3 1894 -3.108 -2.323 -0.901 1.00 0.00 WT4 O ATOM 48644 H1 TIP3 1894 -2.745 -0.624 11.529 1.00 0.00 WT4 H ATOM 48645 H2 TIP3 1894 -11.121 -20.072 19.832 1.00 0.00 WT4 H ATOM 48646 OH2 TIP3 1895 1.898 -5.726 2.118 1.00 0.00 WT4 O ATOM 48647 H1 TIP3 1895 6.476 -6.356 -0.448 1.00 0.00 WT4 H ATOM 48648 H2 TIP3 1895 -21.790 -4.442 18.084 1.00 0.00 WT4 H ATOM 48649 OH2 TIP3 1896 -4.613 -5.000 4.103 1.00 0.00 WT4 O ATOM 48650 H1 TIP3 1896 -9.401 4.028 -6.219 1.00 0.00 WT4 H ATOM 48651 H2 TIP3 1896 7.233 -12.878 -2.798 1.00 0.00 WT4 H ATOM 48652 OH2 TIP3 1897 -0.242 0.023 3.610 1.00 0.00 WT4 O ATOM 48653 H1 TIP3 1897 -13.394 0.459 -3.444 1.00 0.00 WT4 H ATOM 48654 H2 TIP3 1897 -0.915 -11.285 -1.286 1.00 0.00 WT4 H ATOM 48655 OH2 TIP3 1911 2.336 0.693 5.507 1.00 0.00 WT4 O ATOM 48656 H1 TIP3 1911 24.220 -5.855 -8.682 1.00 0.00 WT4 H ATOM 48657 H2 TIP3 1911 -13.677 25.953 -9.679 1.00 0.00 WT4 H ATOM 48658 OH2 TIP3 1912 3.080 -5.795 3.388 1.00 0.00 WT4 O ATOM 48659 H1 TIP3 1912 1.649 -6.383 2.942 1.00 0.00 WT4 H ATOM 48660 H2 TIP3 1912 4.919 -5.449 0.052 1.00 0.00 WT4 H ATOM 48661 OH2 TIP3 1914 -8.920 1.293 -4.734 1.00 0.00 WT4 O ATOM 48662 H1 TIP3 1914 -4.986 4.137 -4.174 1.00 0.00 WT4 H ATOM 48663 H2 TIP3 1914 -12.410 4.099 -8.523 1.00 0.00 WT4 H ATOM 48664 OH2 TIP3 1915 3.395 -0.575 6.006 1.00 0.00 WT4 O ATOM 48665 H1 TIP3 1915 -8.914 -5.779 3.112 1.00 0.00 WT4 H ATOM 48666 H2 TIP3 1915 -16.692 -16.618 -0.615 1.00 0.00 WT4 H ATOM 48667 OH2 TIP3 1917 4.766 0.855 4.899 1.00 0.00 WT4 O ATOM 48668 H1 TIP3 1917 -7.002 -10.487 14.486 1.00 0.00 WT4 H ATOM 48669 H2 TIP3 1917 14.791 6.491 9.220 1.00 0.00 WT4 H ATOM 48670 OH2 TIP3 1919 -0.246 0.971 5.754 1.00 0.00 WT4 O ATOM 48671 H1 TIP3 1919 -3.466 0.790 5.858 1.00 0.00 WT4 H ATOM 48672 H2 TIP3 1919 -6.124 9.894 14.469 1.00 0.00 WT4 H ATOM 48673 OH2 TIP3 1931 -3.591 -3.289 7.840 1.00 0.00 WT4 O ATOM 48674 H1 TIP3 1931 30.021 -0.659 -9.009 1.00 0.00 WT4 H ATOM 48675 H2 TIP3 1931 -14.361 2.563 0.402 1.00 0.00 WT4 H ATOM 48676 OH2 TIP3 1935 1.852 0.263 0.260 1.00 0.00 WT4 O ATOM 48677 H1 TIP3 1935 -13.371 -16.184 -12.386 1.00 0.00 WT4 H ATOM 48678 H2 TIP3 1935 8.815 -6.144 10.458 1.00 0.00 WT4 H ATOM 48679 OH2 TIP3 1936 -2.093 -6.618 -0.019 1.00 0.00 WT4 O ATOM 48680 H1 TIP3 1936 -11.726 -18.187 4.672 1.00 0.00 WT4 H ATOM 48681 H2 TIP3 1936 -6.641 -12.831 20.120 1.00 0.00 WT4 H ATOM 48682 OH2 TIP3 1937 3.962 -6.351 0.798 1.00 0.00 WT4 O ATOM 48683 H1 TIP3 1937 6.208 -6.043 0.579 1.00 0.00 WT4 H ATOM 48684 H2 TIP3 1937 -3.528 -4.780 -0.488 1.00 0.00 WT4 H ATOM 48685 OH2 TIP3 1938 3.419 3.223 1.307 1.00 0.00 WT4 O ATOM 48686 H1 TIP3 1938 -2.023 3.498 4.089 1.00 0.00 WT4 H ATOM 48687 H2 TIP3 1938 8.982 2.116 -4.393 1.00 0.00 WT4 H ATOM 48688 OH2 TIP3 1950 -8.269 -1.653 -5.133 1.00 0.00 WT4 O ATOM 48689 H1 TIP3 1950 8.036 -3.013 3.556 1.00 0.00 WT4 H ATOM 48690 H2 TIP3 1950 -19.684 4.474 -7.447 1.00 0.00 WT4 H ATOM 48691 OH2 TIP3 1952 -0.071 -7.407 1.968 1.00 0.00 WT4 O ATOM 48692 H1 TIP3 1952 7.424 13.607 18.491 1.00 0.00 WT4 H ATOM 48693 H2 TIP3 1952 6.329 3.883 -25.548 1.00 0.00 WT4 H ATOM 48694 OH2 TIP3 1954 3.757 0.278 6.345 1.00 0.00 WT4 O ATOM 48695 H1 TIP3 1954 4.089 -1.606 -2.058 1.00 0.00 WT4 H ATOM 48696 H2 TIP3 1954 15.842 1.387 19.605 1.00 0.00 WT4 H ATOM 48697 OH2 TIP3 1955 8.761 -4.556 -4.190 1.00 0.00 WT4 O ATOM 48698 H1 TIP3 1955 18.073 2.513 -8.522 1.00 0.00 WT4 H ATOM 48699 H2 TIP3 1955 13.308 -0.721 -2.406 1.00 0.00 WT4 H ATOM 48700 OH2 TIP3 1977 -8.137 2.042 0.016 1.00 0.00 WT4 O ATOM 48701 H1 TIP3 1977 14.331 -6.960 6.819 1.00 0.00 WT4 H ATOM 48702 H2 TIP3 1977 -15.386 22.120 18.049 1.00 0.00 WT4 H ATOM 48703 OH2 TIP3 1983 0.217 7.160 -3.705 1.00 0.00 WT4 O ATOM 48704 H1 TIP3 1983 -4.546 18.053 0.861 1.00 0.00 WT4 H ATOM 48705 H2 TIP3 1983 4.137 0.430 -4.877 1.00 0.00 WT4 H ATOM 48706 OH2 TIP3 1993 -7.418 2.592 1.225 1.00 0.00 WT4 O ATOM 48707 H1 TIP3 1993 -0.253 8.502 -12.496 1.00 0.00 WT4 H ATOM 48708 H2 TIP3 1993 -6.728 -7.214 -5.483 1.00 0.00 WT4 H ATOM 48709 OH2 TIP3 2002 -2.366 4.736 0.363 1.00 0.00 WT4 O ATOM 48710 H1 TIP3 2002 5.885 7.363 0.078 1.00 0.00 WT4 H ATOM 48711 H2 TIP3 2002 -7.138 10.734 -4.244 1.00 0.00 WT4 H ATOM 48712 OH2 TIP3 2021 -3.411 -0.300 1.200 1.00 0.00 WT4 O ATOM 48713 H1 TIP3 2021 3.292 -10.676 1.101 1.00 0.00 WT4 H ATOM 48714 H2 TIP3 2021 -18.621 3.819 -8.718 1.00 0.00 WT4 H ATOM 48715 OH2 TIP3 2105 -1.009 1.944 7.564 1.00 0.00 WT4 O ATOM 48716 H1 TIP3 2105 9.128 4.624 8.796 1.00 0.00 WT4 H ATOM 48717 H2 TIP3 2105 -15.253 -0.466 6.832 1.00 0.00 WT4 H ATOM 48718 OH2 TIP3 2123 -4.399 -8.164 6.613 1.00 0.00 WT4 O ATOM 48719 H1 TIP3 2123 -9.682 -7.493 -17.496 1.00 0.00 WT4 H ATOM 48720 H2 TIP3 2123 5.800 0.385 16.908 1.00 0.00 WT4 H ATOM 48721 OH2 TIP3 2163 7.247 -1.173 -8.017 1.00 0.00 WT4 O ATOM 48722 H1 TIP3 2163 31.928 10.144 -0.061 1.00 0.00 WT4 H ATOM 48723 H2 TIP3 2163 28.179 -21.064 1.960 1.00 0.00 WT4 H ATOM 48724 OH2 TIP3 2165 -7.999 6.173 3.640 1.00 0.00 WT4 O ATOM 48725 H1 TIP3 2165 -5.891 9.294 -1.391 1.00 0.00 WT4 H ATOM 48726 H2 TIP3 2165 -0.086 4.864 10.176 1.00 0.00 WT4 H ATOM 48727 OH2 TIP3 2167 1.836 1.193 -2.701 1.00 0.00 WT4 O ATOM 48728 H1 TIP3 2167 -13.073 -12.677 2.317 1.00 0.00 WT4 H ATOM 48729 H2 TIP3 2167 2.864 -0.984 -0.324 1.00 0.00 WT4 H ATOM 48730 OH2 TIP3 2185 -0.920 4.777 1.937 1.00 0.00 WT4 O ATOM 48731 H1 TIP3 2185 -14.870 3.189 -5.560 1.00 0.00 WT4 H ATOM 48732 H2 TIP3 2185 1.683 3.867 0.761 1.00 0.00 WT4 H ATOM 48733 OH2 TIP3 2186 -4.208 7.691 -2.990 1.00 0.00 WT4 O ATOM 48734 H1 TIP3 2186 6.368 -5.494 -2.488 1.00 0.00 WT4 H ATOM 48735 H2 TIP3 2186 5.715 -36.707 14.097 1.00 0.00 WT4 H ATOM 48736 OH2 TIP3 2187 -0.974 -0.088 2.963 1.00 0.00 WT4 O ATOM 48737 H1 TIP3 2187 12.211 11.181 -5.205 1.00 0.00 WT4 H ATOM 48738 H2 TIP3 2187 -22.649 12.496 -5.640 1.00 0.00 WT4 H ATOM 48739 OH2 TIP3 2208 2.274 -8.752 6.466 1.00 0.00 WT4 O ATOM 48740 H1 TIP3 2208 3.879 29.885 -5.403 1.00 0.00 WT4 H ATOM 48741 H2 TIP3 2208 9.809 -28.329 -8.925 1.00 0.00 WT4 H ATOM 48742 OH2 TIP3 2227 -3.383 -0.263 3.955 1.00 0.00 WT4 O ATOM 48743 H1 TIP3 2227 -14.222 -9.639 0.499 1.00 0.00 WT4 H ATOM 48744 H2 TIP3 2227 2.407 -1.780 -8.868 1.00 0.00 WT4 H ATOM 48745 OH2 TIP3 2229 -2.898 4.816 0.866 1.00 0.00 WT4 O ATOM 48746 H1 TIP3 2229 -4.540 -17.740 7.373 1.00 0.00 WT4 H ATOM 48747 H2 TIP3 2229 -3.364 10.569 5.897 1.00 0.00 WT4 H ATOM 48748 OH2 TIP3 2231 3.394 2.070 1.986 1.00 0.00 WT4 O ATOM 48749 H1 TIP3 2231 8.099 4.250 -12.164 1.00 0.00 WT4 H ATOM 48750 H2 TIP3 2231 0.390 40.261 -2.500 1.00 0.00 WT4 H ATOM 48751 OH2 TIP3 2232 4.227 2.447 0.254 1.00 0.00 WT4 O ATOM 48752 H1 TIP3 2232 -14.287 3.470 4.222 1.00 0.00 WT4 H ATOM 48753 H2 TIP3 2232 -0.259 2.259 7.298 1.00 0.00 WT4 H ATOM 48754 OH2 TIP3 2251 -7.594 -3.679 -0.150 1.00 0.00 WT4 O ATOM 48755 H1 TIP3 2251 -8.471 0.771 0.558 1.00 0.00 WT4 H ATOM 48756 H2 TIP3 2251 -7.783 -13.190 -0.890 1.00 0.00 WT4 H ATOM 48757 OH2 TIP3 2253 -3.089 -1.865 4.509 1.00 0.00 WT4 O ATOM 48758 H1 TIP3 2253 -28.609 -3.818 -4.883 1.00 0.00 WT4 H ATOM 48759 H2 TIP3 2253 -10.709 -24.248 -4.760 1.00 0.00 WT4 H ATOM 48760 OH2 TIP3 2254 -4.599 0.215 6.042 1.00 0.00 WT4 O ATOM 48761 H1 TIP3 2254 -9.777 20.957 -2.434 1.00 0.00 WT4 H ATOM 48762 H2 TIP3 2254 -7.373 11.284 17.926 1.00 0.00 WT4 H ATOM 48763 OH2 TIP3 2269 -1.682 -0.630 -7.993 1.00 0.00 WT4 O ATOM 48764 H1 TIP3 2269 -15.350 9.780 1.772 1.00 0.00 WT4 H ATOM 48765 H2 TIP3 2269 -8.600 -23.020 9.333 1.00 0.00 WT4 H ATOM 48766 OH2 TIP3 2270 5.468 -2.431 1.270 1.00 0.00 WT4 O ATOM 48767 H1 TIP3 2270 0.426 3.249 -16.607 1.00 0.00 WT4 H ATOM 48768 H2 TIP3 2270 3.824 24.157 7.514 1.00 0.00 WT4 H ATOM 48769 OH2 TIP3 2271 3.146 2.597 -7.397 1.00 0.00 WT4 O ATOM 48770 H1 TIP3 2271 1.973 -22.173 4.690 1.00 0.00 WT4 H ATOM 48771 H2 TIP3 2271 2.512 15.976 -6.127 1.00 0.00 WT4 H ATOM 48772 OH2 TIP3 2272 3.169 2.770 1.990 1.00 0.00 WT4 O ATOM 48773 H1 TIP3 2272 -17.905 -5.526 -9.731 1.00 0.00 WT4 H ATOM 48774 H2 TIP3 2272 4.887 6.000 -8.496 1.00 0.00 WT4 H ATOM 48775 OH2 TIP3 2273 -0.648 -5.536 6.003 1.00 0.00 WT4 O ATOM 48776 H1 TIP3 2273 -3.179 -15.657 9.358 1.00 0.00 WT4 H ATOM 48777 H2 TIP3 2273 -1.159 -6.598 6.475 1.00 0.00 WT4 H ATOM 48778 OH2 TIP3 2274 3.749 2.054 -0.074 1.00 0.00 WT4 O ATOM 48779 H1 TIP3 2274 29.442 -19.733 -9.367 1.00 0.00 WT4 H ATOM 48780 H2 TIP3 2274 -22.058 -8.697 1.902 1.00 0.00 WT4 H ATOM 48781 OH2 TIP3 2275 1.877 -10.636 -3.045 1.00 0.00 WT4 O ATOM 48782 H1 TIP3 2275 6.613 4.915 -26.488 1.00 0.00 WT4 H ATOM 48783 H2 TIP3 2275 17.566 -3.389 16.156 1.00 0.00 WT4 H ATOM 48784 OH2 TIP3 2277 -1.990 -2.104 1.394 1.00 0.00 WT4 O ATOM 48785 H1 TIP3 2277 -12.145 -6.310 -2.828 1.00 0.00 WT4 H ATOM 48786 H2 TIP3 2277 9.385 1.987 -4.881 1.00 0.00 WT4 H ATOM 48787 OH2 TIP3 2280 8.692 0.114 -3.296 1.00 0.00 WT4 O ATOM 48788 H1 TIP3 2280 7.242 -1.706 -28.965 1.00 0.00 WT4 H ATOM 48789 H2 TIP3 2280 -10.401 1.261 -5.520 1.00 0.00 WT4 H ATOM 48790 OH2 TIP3 2288 3.529 4.116 1.289 1.00 0.00 WT4 O ATOM 48791 H1 TIP3 2288 -1.597 -5.915 5.233 1.00 0.00 WT4 H ATOM 48792 H2 TIP3 2288 11.494 3.174 7.453 1.00 0.00 WT4 H ATOM 48793 OH2 TIP3 2292 3.030 2.595 0.244 1.00 0.00 WT4 O ATOM 48794 H1 TIP3 2292 18.428 11.267 -16.371 1.00 0.00 WT4 H ATOM 48795 H2 TIP3 2292 -17.205 -0.913 13.217 1.00 0.00 WT4 H ATOM 48796 OH2 TIP3 2293 -1.286 -1.781 -1.246 1.00 0.00 WT4 O ATOM 48797 H1 TIP3 2293 3.042 -2.773 -7.716 1.00 0.00 WT4 H ATOM 48798 H2 TIP3 2293 1.314 -6.755 -4.201 1.00 0.00 WT4 H ATOM 48799 OH2 TIP3 2294 -3.407 2.870 0.476 1.00 0.00 WT4 O ATOM 48800 H1 TIP3 2294 1.434 24.767 5.387 1.00 0.00 WT4 H ATOM 48801 H2 TIP3 2294 -17.518 5.429 -12.406 1.00 0.00 WT4 H ATOM 48802 OH2 TIP3 2296 -1.039 2.166 10.198 1.00 0.00 WT4 O ATOM 48803 H1 TIP3 2296 -16.345 -10.278 11.068 1.00 0.00 WT4 H ATOM 48804 H2 TIP3 2296 8.616 -7.802 -11.023 1.00 0.00 WT4 H ATOM 48805 OH2 TIP3 2309 2.840 3.718 -0.208 1.00 0.00 WT4 O ATOM 48806 H1 TIP3 2309 10.195 2.020 -15.162 1.00 0.00 WT4 H ATOM 48807 H2 TIP3 2309 14.605 -14.319 10.880 1.00 0.00 WT4 H ATOM 48808 OH2 TIP3 2311 0.209 4.215 -10.197 1.00 0.00 WT4 O ATOM 48809 H1 TIP3 2311 4.002 1.092 -17.506 1.00 0.00 WT4 H ATOM 48810 H2 TIP3 2311 0.985 -6.021 -12.723 1.00 0.00 WT4 H ATOM 48811 OH2 TIP3 2312 -7.919 3.605 -5.619 1.00 0.00 WT4 O ATOM 48812 H1 TIP3 2312 4.776 4.525 -19.222 1.00 0.00 WT4 H ATOM 48813 H2 TIP3 2312 -1.705 -19.470 -29.868 1.00 0.00 WT4 H ATOM 48814 OH2 TIP3 2313 6.582 2.908 5.679 1.00 0.00 WT4 O ATOM 48815 H1 TIP3 2313 17.157 -3.548 7.793 1.00 0.00 WT4 H ATOM 48816 H2 TIP3 2313 -1.595 -21.340 43.511 1.00 0.00 WT4 H ATOM 48817 OH2 TIP3 2314 -1.166 6.020 -1.124 1.00 0.00 WT4 O ATOM 48818 H1 TIP3 2314 3.060 12.923 -1.517 1.00 0.00 WT4 H ATOM 48819 H2 TIP3 2314 -3.184 -7.674 -12.075 1.00 0.00 WT4 H ATOM 48820 OH2 TIP3 2315 1.828 -3.182 2.715 1.00 0.00 WT4 O ATOM 48821 H1 TIP3 2315 3.906 -30.342 15.536 1.00 0.00 WT4 H ATOM 48822 H2 TIP3 2315 20.853 4.104 -21.328 1.00 0.00 WT4 H ATOM 48823 OH2 TIP3 2316 3.132 -8.294 1.595 1.00 0.00 WT4 O ATOM 48824 H1 TIP3 2316 -5.870 -7.996 -8.253 1.00 0.00 WT4 H ATOM 48825 H2 TIP3 2316 0.226 -7.232 2.866 1.00 0.00 WT4 H ATOM 48826 OH2 TIP3 2317 -3.020 0.871 -3.200 1.00 0.00 WT4 O ATOM 48827 H1 TIP3 2317 2.004 -1.502 0.785 1.00 0.00 WT4 H ATOM 48828 H2 TIP3 2317 18.633 -8.808 1.573 1.00 0.00 WT4 H ATOM 48829 OH2 TIP3 2318 -8.789 2.373 4.281 1.00 0.00 WT4 O ATOM 48830 H1 TIP3 2318 -27.788 25.078 -28.983 1.00 0.00 WT4 H ATOM 48831 H2 TIP3 2318 6.643 -15.064 -0.476 1.00 0.00 WT4 H ATOM 48832 OH2 TIP3 2319 0.215 2.599 -0.111 1.00 0.00 WT4 O ATOM 48833 H1 TIP3 2319 -2.914 8.416 -2.061 1.00 0.00 WT4 H ATOM 48834 H2 TIP3 2319 10.770 -14.889 5.694 1.00 0.00 WT4 H ATOM 48835 OH2 TIP3 2329 -0.841 0.760 -5.811 1.00 0.00 WT4 O ATOM 48836 H1 TIP3 2329 -11.889 21.727 -9.090 1.00 0.00 WT4 H ATOM 48837 H2 TIP3 2329 -17.376 23.560 14.737 1.00 0.00 WT4 H ATOM 48838 OH2 TIP3 2331 0.450 -1.157 6.461 1.00 0.00 WT4 O ATOM 48839 H1 TIP3 2331 9.541 2.027 -5.574 1.00 0.00 WT4 H ATOM 48840 H2 TIP3 2331 -1.076 18.220 6.717 1.00 0.00 WT4 H ATOM 48841 OH2 TIP3 2332 -1.295 -2.687 -1.355 1.00 0.00 WT4 O ATOM 48842 H1 TIP3 2332 -0.345 -14.276 -13.977 1.00 0.00 WT4 H ATOM 48843 H2 TIP3 2332 -10.008 -6.808 8.558 1.00 0.00 WT4 H ATOM 48844 OH2 TIP3 2333 0.286 3.327 -1.428 1.00 0.00 WT4 O ATOM 48845 H1 TIP3 2333 -15.711 7.064 0.580 1.00 0.00 WT4 H ATOM 48846 H2 TIP3 2333 7.473 7.746 11.712 1.00 0.00 WT4 H ATOM 48847 OH2 TIP3 2335 -0.271 3.920 -0.509 1.00 0.00 WT4 O ATOM 48848 H1 TIP3 2335 4.339 -14.711 1.030 1.00 0.00 WT4 H ATOM 48849 H2 TIP3 2335 15.073 11.110 28.347 1.00 0.00 WT4 H ATOM 48850 OH2 TIP3 2339 -8.462 -1.619 -3.396 1.00 0.00 WT4 O ATOM 48851 H1 TIP3 2339 -7.213 0.752 31.352 1.00 0.00 WT4 H ATOM 48852 H2 TIP3 2339 -44.763 11.294 38.693 1.00 0.00 WT4 H ATOM 48853 OH2 TIP3 2351 -7.602 1.188 2.611 1.00 0.00 WT4 O ATOM 48854 H1 TIP3 2351 39.557 -4.930 0.548 1.00 0.00 WT4 H ATOM 48855 H2 TIP3 2351 -1.864 2.720 0.580 1.00 0.00 WT4 H ATOM 48856 OH2 TIP3 2352 2.784 -8.858 -2.374 1.00 0.00 WT4 O ATOM 48857 H1 TIP3 2352 4.194 -9.549 -13.270 1.00 0.00 WT4 H ATOM 48858 H2 TIP3 2352 13.272 -9.558 3.699 1.00 0.00 WT4 H ATOM 48859 OH2 TIP3 2355 1.803 0.413 -1.397 1.00 0.00 WT4 O ATOM 48860 H1 TIP3 2355 25.254 2.080 -28.728 1.00 0.00 WT4 H ATOM 48861 H2 TIP3 2355 -15.646 -6.199 15.852 1.00 0.00 WT4 H ATOM 48862 OH2 TIP3 2357 1.584 2.852 -1.759 1.00 0.00 WT4 O ATOM 48863 H1 TIP3 2357 -1.234 10.080 17.994 1.00 0.00 WT4 H ATOM 48864 H2 TIP3 2357 -14.359 -15.552 -4.856 1.00 0.00 WT4 H ATOM 48865 OH2 TIP3 2358 -1.694 2.268 2.645 1.00 0.00 WT4 O ATOM 48866 H1 TIP3 2358 0.433 -22.970 -21.541 1.00 0.00 WT4 H ATOM 48867 H2 TIP3 2358 4.915 31.048 -26.818 1.00 0.00 WT4 H ATOM 48868 OH2 TIP3 2359 -0.166 -2.841 -1.950 1.00 0.00 WT4 O ATOM 48869 H1 TIP3 2359 -4.308 -0.623 -11.676 1.00 0.00 WT4 H ATOM 48870 H2 TIP3 2359 8.370 -8.359 -15.271 1.00 0.00 WT4 H ATOM 48871 OH2 TIP3 2376 -5.478 0.950 -2.947 1.00 0.00 WT4 O ATOM 48872 H1 TIP3 2376 7.192 -8.423 -21.319 1.00 0.00 WT4 H ATOM 48873 H2 TIP3 2376 -19.160 2.131 -2.758 1.00 0.00 WT4 H ATOM 48874 OH2 TIP3 2377 -0.250 2.345 -8.814 1.00 0.00 WT4 O ATOM 48875 H1 TIP3 2377 -1.416 10.609 1.533 1.00 0.00 WT4 H ATOM 48876 H2 TIP3 2377 0.482 -1.429 -14.038 1.00 0.00 WT4 H ATOM 48877 OH2 TIP3 2378 1.955 1.621 1.754 1.00 0.00 WT4 O ATOM 48878 H1 TIP3 2378 15.879 -17.975 5.425 1.00 0.00 WT4 H ATOM 48879 H2 TIP3 2378 -0.378 -1.163 -25.327 1.00 0.00 WT4 H ATOM 48880 OH2 TIP3 2380 1.707 5.187 2.862 1.00 0.00 WT4 O ATOM 48881 H1 TIP3 2380 7.564 9.742 -19.069 1.00 0.00 WT4 H ATOM 48882 H2 TIP3 2380 -28.373 -3.639 13.706 1.00 0.00 WT4 H ATOM 48883 OH2 TIP3 2397 6.432 -1.950 3.048 1.00 0.00 WT4 O ATOM 48884 H1 TIP3 2397 3.164 -5.066 -0.500 1.00 0.00 WT4 H ATOM 48885 H2 TIP3 2397 3.224 -3.468 9.298 1.00 0.00 WT4 H ATOM 48886 OH2 TIP3 2398 1.745 -2.649 -0.775 1.00 0.00 WT4 O ATOM 48887 H1 TIP3 2398 5.805 10.140 3.703 1.00 0.00 WT4 H ATOM 48888 H2 TIP3 2398 4.747 20.915 11.570 1.00 0.00 WT4 H ATOM 48889 OH2 TIP3 2418 -0.902 3.314 2.310 1.00 0.00 WT4 O ATOM 48890 H1 TIP3 2418 -1.379 8.383 -12.681 1.00 0.00 WT4 H ATOM 48891 H2 TIP3 2418 -12.726 -2.772 -5.886 1.00 0.00 WT4 H ATOM 48892 OH2 TIP3 2436 3.935 -8.390 -1.142 1.00 0.00 WT4 O ATOM 48893 H1 TIP3 2436 14.576 22.604 -3.828 1.00 0.00 WT4 H ATOM 48894 H2 TIP3 2436 2.929 43.905 4.094 1.00 0.00 WT4 H ATOM 48895 OH2 TIP3 2477 1.544 -1.527 1.540 1.00 0.00 WT4 O ATOM 48896 H1 TIP3 2477 4.167 -9.751 -5.633 1.00 0.00 WT4 H ATOM 48897 H2 TIP3 2477 -3.259 0.035 -0.007 1.00 0.00 WT4 H ATOM 48898 OH2 TIP3 2508 -2.534 -2.594 -0.856 1.00 0.00 WT4 O ATOM 48899 H1 TIP3 2508 21.532 34.679 -30.135 1.00 0.00 WT4 H ATOM 48900 H2 TIP3 2508 -17.059 6.990 0.403 1.00 0.00 WT4 H ATOM 48901 OH2 TIP3 2606 -0.593 0.018 0.219 1.00 0.00 WT4 O ATOM 48902 H1 TIP3 2606 8.584 -1.395 -7.997 1.00 0.00 WT4 H ATOM 48903 H2 TIP3 2606 -20.336 0.901 15.922 1.00 0.00 WT4 H ATOM 48904 OH2 TIP3 2607 -5.324 0.907 -5.526 1.00 0.00 WT4 O ATOM 48905 H1 TIP3 2607 15.538 8.907 5.839 1.00 0.00 WT4 H ATOM 48906 H2 TIP3 2607 6.805 4.898 -33.139 1.00 0.00 WT4 H ATOM 48907 OH2 TIP3 2608 4.563 -3.215 1.544 1.00 0.00 WT4 O ATOM 48908 H1 TIP3 2608 33.048 24.248 -5.611 1.00 0.00 WT4 H ATOM 48909 H2 TIP3 2608 -29.708 14.574 14.617 1.00 0.00 WT4 H ATOM 48910 OH2 TIP3 2610 -3.177 -3.131 -1.942 1.00 0.00 WT4 O ATOM 48911 H1 TIP3 2610 7.029 -10.702 33.062 1.00 0.00 WT4 H ATOM 48912 H2 TIP3 2610 -18.694 6.122 -19.757 1.00 0.00 WT4 H ATOM 48913 OH2 TIP3 2624 2.527 -2.254 3.705 1.00 0.00 WT4 O ATOM 48914 H1 TIP3 2624 0.274 -20.203 11.842 1.00 0.00 WT4 H ATOM 48915 H2 TIP3 2624 -53.093 8.385 -29.420 1.00 0.00 WT4 H ATOM 48916 OH2 TIP3 2628 -2.142 -0.170 -3.510 1.00 0.00 WT4 O ATOM 48917 H1 TIP3 2628 -27.056 -1.785 10.178 1.00 0.00 WT4 H ATOM 48918 H2 TIP3 2628 -0.437 23.372 3.613 1.00 0.00 WT4 H ATOM 48919 OH2 TIP3 2630 5.259 6.478 1.840 1.00 0.00 WT4 O ATOM 48920 H1 TIP3 2630 0.975 -7.024 8.767 1.00 0.00 WT4 H ATOM 48921 H2 TIP3 2630 20.557 7.859 3.323 1.00 0.00 WT4 H ATOM 48922 OH2 TIP3 2632 -0.522 -1.156 -3.100 1.00 0.00 WT4 O ATOM 48923 H1 TIP3 2632 6.839 -18.308 -2.400 1.00 0.00 WT4 H ATOM 48924 H2 TIP3 2632 20.051 -7.030 -12.359 1.00 0.00 WT4 H ATOM 48925 OH2 TIP3 2634 2.606 -0.391 -2.541 1.00 0.00 WT4 O ATOM 48926 H1 TIP3 2634 -14.028 17.645 -9.592 1.00 0.00 WT4 H ATOM 48927 H2 TIP3 2634 14.789 -8.855 -10.462 1.00 0.00 WT4 H ATOM 48928 OH2 TIP3 2635 -6.180 -6.455 -2.945 1.00 0.00 WT4 O ATOM 48929 H1 TIP3 2635 6.072 -5.732 7.946 1.00 0.00 WT4 H ATOM 48930 H2 TIP3 2635 0.842 17.540 6.694 1.00 0.00 WT4 H ATOM 48931 OH2 TIP3 2649 -4.336 4.684 -0.965 1.00 0.00 WT4 O ATOM 48932 H1 TIP3 2649 -10.442 3.894 -5.554 1.00 0.00 WT4 H ATOM 48933 H2 TIP3 2649 -6.733 -11.271 -0.476 1.00 0.00 WT4 H ATOM 48934 OH2 TIP3 2650 8.910 4.446 -4.395 1.00 0.00 WT4 O ATOM 48935 H1 TIP3 2650 8.836 8.651 5.241 1.00 0.00 WT4 H ATOM 48936 H2 TIP3 2650 6.518 13.520 11.940 1.00 0.00 WT4 H ATOM 48937 OH2 TIP3 2652 -7.876 -2.862 -8.366 1.00 0.00 WT4 O ATOM 48938 H1 TIP3 2652 -8.821 15.400 -9.128 1.00 0.00 WT4 H ATOM 48939 H2 TIP3 2652 3.087 -2.591 25.151 1.00 0.00 WT4 H ATOM 48940 OH2 TIP3 2654 6.711 2.240 8.080 1.00 0.00 WT4 O ATOM 48941 H1 TIP3 2654 -20.026 3.362 -5.978 1.00 0.00 WT4 H ATOM 48942 H2 TIP3 2654 3.443 -9.714 1.601 1.00 0.00 WT4 H ATOM 48943 OH2 TIP3 2667 6.792 2.398 -1.468 1.00 0.00 WT4 O ATOM 48944 H1 TIP3 2667 1.523 -3.866 -3.973 1.00 0.00 WT4 H ATOM 48945 H2 TIP3 2667 12.432 1.359 -8.372 1.00 0.00 WT4 H ATOM 48946 OH2 TIP3 2669 -5.368 1.049 -4.060 1.00 0.00 WT4 O ATOM 48947 H1 TIP3 2669 -2.309 25.887 -24.969 1.00 0.00 WT4 H ATOM 48948 H2 TIP3 2669 35.198 4.490 10.595 1.00 0.00 WT4 H ATOM 48949 OH2 TIP3 2670 6.212 -2.287 -3.437 1.00 0.00 WT4 O ATOM 48950 H1 TIP3 2670 -36.962 3.613 -24.619 1.00 0.00 WT4 H ATOM 48951 H2 TIP3 2670 -11.720 -0.732 -13.567 1.00 0.00 WT4 H ATOM 48952 OH2 TIP3 2672 -2.125 0.312 -6.485 1.00 0.00 WT4 O ATOM 48953 H1 TIP3 2672 2.992 2.332 -0.893 1.00 0.00 WT4 H ATOM 48954 H2 TIP3 2672 -10.110 -3.297 -20.926 1.00 0.00 WT4 H ATOM 48955 OH2 TIP3 2673 -3.268 0.249 -0.912 1.00 0.00 WT4 O ATOM 48956 H1 TIP3 2673 -0.609 -6.074 -4.253 1.00 0.00 WT4 H ATOM 48957 H2 TIP3 2673 -11.309 -3.021 4.398 1.00 0.00 WT4 H ATOM 48958 OH2 TIP3 2674 -0.408 2.478 -2.276 1.00 0.00 WT4 O ATOM 48959 H1 TIP3 2674 19.946 2.611 27.052 1.00 0.00 WT4 H ATOM 48960 H2 TIP3 2674 18.353 19.070 4.369 1.00 0.00 WT4 H ATOM 48961 OH2 TIP3 2676 -4.379 1.632 2.906 1.00 0.00 WT4 O ATOM 48962 H1 TIP3 2676 -5.614 9.427 -1.251 1.00 0.00 WT4 H ATOM 48963 H2 TIP3 2676 -5.447 9.197 -0.424 1.00 0.00 WT4 H ATOM 48964 OH2 TIP3 2690 5.179 -0.582 3.249 1.00 0.00 WT4 O ATOM 48965 H1 TIP3 2690 -11.011 6.797 -10.502 1.00 0.00 WT4 H ATOM 48966 H2 TIP3 2690 -32.260 -0.173 19.706 1.00 0.00 WT4 H ATOM 48967 OH2 TIP3 2691 -0.863 -2.687 -1.296 1.00 0.00 WT4 O ATOM 48968 H1 TIP3 2691 -1.026 5.871 13.309 1.00 0.00 WT4 H ATOM 48969 H2 TIP3 2691 -14.482 -16.583 -4.367 1.00 0.00 WT4 H ATOM 48970 OH2 TIP3 2692 0.548 5.355 4.766 1.00 0.00 WT4 O ATOM 48971 H1 TIP3 2692 0.937 -11.021 9.457 1.00 0.00 WT4 H ATOM 48972 H2 TIP3 2692 -14.413 3.776 -2.169 1.00 0.00 WT4 H ATOM 48973 OH2 TIP3 2694 1.130 2.113 -4.815 1.00 0.00 WT4 O ATOM 48974 H1 TIP3 2694 22.830 21.552 4.900 1.00 0.00 WT4 H ATOM 48975 H2 TIP3 2694 6.512 20.707 15.203 1.00 0.00 WT4 H ATOM 48976 OH2 TIP3 2695 0.381 -3.476 3.572 1.00 0.00 WT4 O ATOM 48977 H1 TIP3 2695 17.524 -2.416 -1.728 1.00 0.00 WT4 H ATOM 48978 H2 TIP3 2695 -7.321 10.334 3.532 1.00 0.00 WT4 H ATOM 48979 OH2 TIP3 2697 3.151 2.362 -2.070 1.00 0.00 WT4 O ATOM 48980 H1 TIP3 2697 2.293 3.558 3.969 1.00 0.00 WT4 H ATOM 48981 H2 TIP3 2697 -1.011 10.717 18.089 1.00 0.00 WT4 H ATOM 48982 OH2 TIP3 2701 6.746 0.547 -3.324 1.00 0.00 WT4 O ATOM 48983 H1 TIP3 2701 8.892 -0.509 -4.382 1.00 0.00 WT4 H ATOM 48984 H2 TIP3 2701 12.399 -18.014 -5.991 1.00 0.00 WT4 H ATOM 48985 OH2 TIP3 2709 5.428 0.024 3.316 1.00 0.00 WT4 O ATOM 48986 H1 TIP3 2709 10.105 -11.545 8.569 1.00 0.00 WT4 H ATOM 48987 H2 TIP3 2709 -16.484 -6.382 -2.194 1.00 0.00 WT4 H ATOM 48988 OH2 TIP3 2710 2.441 -4.196 -4.789 1.00 0.00 WT4 O ATOM 48989 H1 TIP3 2710 -1.360 -8.889 -1.099 1.00 0.00 WT4 H ATOM 48990 H2 TIP3 2710 1.259 -4.448 0.182 1.00 0.00 WT4 H ATOM 48991 OH2 TIP3 2713 -2.000 2.151 -0.024 1.00 0.00 WT4 O ATOM 48992 H1 TIP3 2713 -0.657 0.131 -2.879 1.00 0.00 WT4 H ATOM 48993 H2 TIP3 2713 -2.433 5.969 6.770 1.00 0.00 WT4 H ATOM 48994 OH2 TIP3 2714 3.100 1.909 -5.284 1.00 0.00 WT4 O ATOM 48995 H1 TIP3 2714 12.622 -0.491 6.729 1.00 0.00 WT4 H ATOM 48996 H2 TIP3 2714 11.905 10.621 -14.374 1.00 0.00 WT4 H ATOM 48997 OH2 TIP3 2717 0.988 6.262 -0.691 1.00 0.00 WT4 O ATOM 48998 H1 TIP3 2717 -8.560 6.444 19.019 1.00 0.00 WT4 H ATOM 48999 H2 TIP3 2717 20.971 -12.143 -10.535 1.00 0.00 WT4 H ATOM 49000 OH2 TIP3 2732 -0.772 -7.168 2.634 1.00 0.00 WT4 O ATOM 49001 H1 TIP3 2732 3.902 -1.261 -3.062 1.00 0.00 WT4 H ATOM 49002 H2 TIP3 2732 -11.884 -12.123 1.704 1.00 0.00 WT4 H ATOM 49003 OH2 TIP3 2734 -6.966 0.341 3.777 1.00 0.00 WT4 O ATOM 49004 H1 TIP3 2734 19.674 9.367 8.292 1.00 0.00 WT4 H ATOM 49005 H2 TIP3 2734 0.573 -29.646 5.629 1.00 0.00 WT4 H ATOM 49006 OH2 TIP3 2735 6.282 0.430 -1.497 1.00 0.00 WT4 O ATOM 49007 H1 TIP3 2735 -8.859 -14.950 -3.648 1.00 0.00 WT4 H ATOM 49008 H2 TIP3 2735 -1.409 3.503 -2.712 1.00 0.00 WT4 H ATOM 49009 OH2 TIP3 2736 1.285 4.445 0.119 1.00 0.00 WT4 O ATOM 49010 H1 TIP3 2736 -0.289 -13.456 -13.852 1.00 0.00 WT4 H ATOM 49011 H2 TIP3 2736 14.129 -2.459 17.780 1.00 0.00 WT4 H ATOM 49012 OH2 TIP3 2753 4.014 -0.036 -0.572 1.00 0.00 WT4 O ATOM 49013 H1 TIP3 2753 -10.120 -3.124 5.557 1.00 0.00 WT4 H ATOM 49014 H2 TIP3 2753 5.694 3.192 2.985 1.00 0.00 WT4 H ATOM 49015 OH2 TIP3 2754 -2.763 -1.786 -2.657 1.00 0.00 WT4 O ATOM 49016 H1 TIP3 2754 -0.006 -4.692 2.309 1.00 0.00 WT4 H ATOM 49017 H2 TIP3 2754 -2.135 -1.140 2.939 1.00 0.00 WT4 H ATOM 49018 OH2 TIP3 2755 0.923 2.765 -2.743 1.00 0.00 WT4 O ATOM 49019 H1 TIP3 2755 -9.240 5.583 48.202 1.00 0.00 WT4 H ATOM 49020 H2 TIP3 2755 -3.783 -11.128 -10.911 1.00 0.00 WT4 H ATOM 49021 OH2 TIP3 2757 0.629 5.877 -8.349 1.00 0.00 WT4 O ATOM 49022 H1 TIP3 2757 -22.250 -2.564 12.171 1.00 0.00 WT4 H ATOM 49023 H2 TIP3 2757 -13.819 -3.412 -2.320 1.00 0.00 WT4 H ATOM 49024 OH2 TIP3 2758 -5.015 -3.991 -0.340 1.00 0.00 WT4 O ATOM 49025 H1 TIP3 2758 -6.183 -5.352 0.314 1.00 0.00 WT4 H ATOM 49026 H2 TIP3 2758 -8.793 -15.728 5.995 1.00 0.00 WT4 H ATOM 49027 OH2 TIP3 2771 -1.714 2.484 1.840 1.00 0.00 WT4 O ATOM 49028 H1 TIP3 2771 3.940 2.331 -1.303 1.00 0.00 WT4 H ATOM 49029 H2 TIP3 2771 4.131 3.329 -4.895 1.00 0.00 WT4 H ATOM 49030 OH2 TIP3 2773 -1.166 -2.410 -6.791 1.00 0.00 WT4 O ATOM 49031 H1 TIP3 2773 3.518 -1.230 4.257 1.00 0.00 WT4 H ATOM 49032 H2 TIP3 2773 2.265 -1.497 1.161 1.00 0.00 WT4 H ATOM 49033 OH2 TIP3 2774 1.774 -5.373 -2.076 1.00 0.00 WT4 O ATOM 49034 H1 TIP3 2774 -2.730 3.751 -1.845 1.00 0.00 WT4 H ATOM 49035 H2 TIP3 2774 11.060 -3.222 -6.820 1.00 0.00 WT4 H ATOM 49036 OH2 TIP3 2775 2.441 1.428 1.194 1.00 0.00 WT4 O ATOM 49037 H1 TIP3 2775 7.029 9.692 4.616 1.00 0.00 WT4 H ATOM 49038 H2 TIP3 2775 0.157 19.736 6.570 1.00 0.00 WT4 H ATOM 49039 OH2 TIP3 2776 -2.233 -3.315 1.157 1.00 0.00 WT4 O ATOM 49040 H1 TIP3 2776 2.621 -2.839 15.687 1.00 0.00 WT4 H ATOM 49041 H2 TIP3 2776 12.012 21.682 -23.937 1.00 0.00 WT4 H ATOM 49042 OH2 TIP3 2777 3.433 -1.424 -2.548 1.00 0.00 WT4 O ATOM 49043 H1 TIP3 2777 -2.555 0.870 -1.727 1.00 0.00 WT4 H ATOM 49044 H2 TIP3 2777 -9.202 0.650 -4.233 1.00 0.00 WT4 H ATOM 49045 OH2 TIP3 2778 1.090 -0.297 -5.869 1.00 0.00 WT4 O ATOM 49046 H1 TIP3 2778 5.621 -3.548 -16.612 1.00 0.00 WT4 H ATOM 49047 H2 TIP3 2778 2.223 -13.088 -6.859 1.00 0.00 WT4 H ATOM 49048 OH2 TIP3 2793 2.247 1.681 -8.500 1.00 0.00 WT4 O ATOM 49049 H1 TIP3 2793 -6.745 -9.777 -2.243 1.00 0.00 WT4 H ATOM 49050 H2 TIP3 2793 -9.428 -21.333 30.149 1.00 0.00 WT4 H ATOM 49051 OH2 TIP3 2794 2.282 -4.483 -4.208 1.00 0.00 WT4 O ATOM 49052 H1 TIP3 2794 10.437 -2.380 15.336 1.00 0.00 WT4 H ATOM 49053 H2 TIP3 2794 -3.626 -16.666 -10.750 1.00 0.00 WT4 H ATOM 49054 OH2 TIP3 2795 0.697 -5.983 1.912 1.00 0.00 WT4 O ATOM 49055 H1 TIP3 2795 -23.128 12.216 -0.108 1.00 0.00 WT4 H ATOM 49056 H2 TIP3 2795 -5.345 -1.081 1.426 1.00 0.00 WT4 H ATOM 49057 OH2 TIP3 2797 -7.202 0.054 2.368 1.00 0.00 WT4 O ATOM 49058 H1 TIP3 2797 -12.873 11.559 12.602 1.00 0.00 WT4 H ATOM 49059 H2 TIP3 2797 17.149 1.706 -11.283 1.00 0.00 WT4 H ATOM 49060 OH2 TIP3 2815 -0.834 -7.200 9.880 1.00 0.00 WT4 O ATOM 49061 H1 TIP3 2815 11.344 2.106 -0.995 1.00 0.00 WT4 H ATOM 49062 H2 TIP3 2815 8.504 -16.980 11.289 1.00 0.00 WT4 H ATOM 49063 OH2 TIP3 2817 -0.831 -0.059 5.778 1.00 0.00 WT4 O ATOM 49064 H1 TIP3 2817 -7.022 -17.432 -10.309 1.00 0.00 WT4 H ATOM 49065 H2 TIP3 2817 -3.681 2.327 20.048 1.00 0.00 WT4 H ATOM 49066 OH2 TIP3 2818 2.636 1.701 1.886 1.00 0.00 WT4 O ATOM 49067 H1 TIP3 2818 1.901 5.379 3.539 1.00 0.00 WT4 H ATOM 49068 H2 TIP3 2818 18.912 5.567 -5.005 1.00 0.00 WT4 H ATOM 49069 OH2 TIP3 2820 -2.529 1.561 -6.234 1.00 0.00 WT4 O ATOM 49070 H1 TIP3 2820 -5.645 1.366 1.495 1.00 0.00 WT4 H ATOM 49071 H2 TIP3 2820 -6.456 -0.308 0.823 1.00 0.00 WT4 H ATOM 49072 OH2 TIP3 2821 -1.770 1.231 1.676 1.00 0.00 WT4 O ATOM 49073 H1 TIP3 2821 0.267 19.830 -7.103 1.00 0.00 WT4 H ATOM 49074 H2 TIP3 2821 -4.026 6.029 -4.424 1.00 0.00 WT4 H ATOM 49075 OH2 TIP3 2832 1.152 0.526 2.200 1.00 0.00 WT4 O ATOM 49076 H1 TIP3 2832 11.021 7.241 -11.976 1.00 0.00 WT4 H ATOM 49077 H2 TIP3 2832 -5.651 12.099 0.030 1.00 0.00 WT4 H ATOM 49078 OH2 TIP3 2842 5.972 7.530 1.367 1.00 0.00 WT4 O ATOM 49079 H1 TIP3 2842 10.537 0.955 20.275 1.00 0.00 WT4 H ATOM 49080 H2 TIP3 2842 1.554 13.037 -15.897 1.00 0.00 WT4 H ATOM 49081 OH2 TIP3 2843 -1.524 3.842 -1.040 1.00 0.00 WT4 O ATOM 49082 H1 TIP3 2843 10.394 18.028 16.798 1.00 0.00 WT4 H ATOM 49083 H2 TIP3 2843 8.114 -12.611 -5.168 1.00 0.00 WT4 H ATOM 49084 OH2 TIP3 2857 -0.601 2.656 6.418 1.00 0.00 WT4 O ATOM 49085 H1 TIP3 2857 2.131 -0.117 3.983 1.00 0.00 WT4 H ATOM 49086 H2 TIP3 2857 -10.996 -18.944 19.278 1.00 0.00 WT4 H ATOM 49087 OH2 TIP3 2862 -0.697 0.261 2.735 1.00 0.00 WT4 O ATOM 49088 H1 TIP3 2862 17.796 -3.512 27.585 1.00 0.00 WT4 H ATOM 49089 H2 TIP3 2862 3.064 -0.684 -1.132 1.00 0.00 WT4 H ATOM 49090 OH2 TIP3 2877 3.544 6.353 0.909 1.00 0.00 WT4 O ATOM 49091 H1 TIP3 2877 -20.167 -2.886 -7.305 1.00 0.00 WT4 H ATOM 49092 H2 TIP3 2877 18.870 -1.660 -14.746 1.00 0.00 WT4 H ATOM 49093 OH2 TIP3 2878 -4.192 -0.782 1.313 1.00 0.00 WT4 O ATOM 49094 H1 TIP3 2878 1.344 -21.706 -12.598 1.00 0.00 WT4 H ATOM 49095 H2 TIP3 2878 -13.902 14.347 -4.468 1.00 0.00 WT4 H ATOM 49096 OH2 TIP3 2944 -6.405 -2.188 -3.412 1.00 0.00 WT4 O ATOM 49097 H1 TIP3 2944 -5.617 -0.026 -0.513 1.00 0.00 WT4 H ATOM 49098 H2 TIP3 2944 -5.966 0.849 0.829 1.00 0.00 WT4 H ATOM 49099 OH2 TIP3 3010 -1.973 -0.825 -3.869 1.00 0.00 WT4 O ATOM 49100 H1 TIP3 3010 14.526 -3.604 4.612 1.00 0.00 WT4 H ATOM 49101 H2 TIP3 3010 17.653 -9.798 -3.852 1.00 0.00 WT4 H ATOM 49102 OH2 TIP3 3012 8.374 3.243 6.330 1.00 0.00 WT4 O ATOM 49103 H1 TIP3 3012 1.733 2.187 6.351 1.00 0.00 WT4 H ATOM 49104 H2 TIP3 3012 8.614 -17.169 -18.766 1.00 0.00 WT4 H ATOM 49105 OH2 TIP3 3027 1.302 -0.974 -2.204 1.00 0.00 WT4 O ATOM 49106 H1 TIP3 3027 14.345 -1.720 21.242 1.00 0.00 WT4 H ATOM 49107 H2 TIP3 3027 8.013 1.916 19.423 1.00 0.00 WT4 H ATOM 49108 OH2 TIP3 3046 3.141 0.868 0.398 1.00 0.00 WT4 O ATOM 49109 H1 TIP3 3046 0.705 5.302 2.343 1.00 0.00 WT4 H ATOM 49110 H2 TIP3 3046 -11.694 2.134 1.689 1.00 0.00 WT4 H ATOM 49111 OH2 TIP3 3049 0.817 3.457 1.764 1.00 0.00 WT4 O ATOM 49112 H1 TIP3 3049 -3.882 4.057 -4.341 1.00 0.00 WT4 H ATOM 49113 H2 TIP3 3049 3.793 -2.505 1.629 1.00 0.00 WT4 H ATOM 49114 OH2 TIP3 3050 -3.242 0.610 0.930 1.00 0.00 WT4 O ATOM 49115 H1 TIP3 3050 10.816 9.441 19.184 1.00 0.00 WT4 H ATOM 49116 H2 TIP3 3050 -3.475 -16.340 2.658 1.00 0.00 WT4 H ATOM 49117 OH2 TIP3 3070 1.548 5.297 -0.051 1.00 0.00 WT4 O ATOM 49118 H1 TIP3 3070 17.440 -1.707 21.457 1.00 0.00 WT4 H ATOM 49119 H2 TIP3 3070 -11.810 -10.747 -8.919 1.00 0.00 WT4 H ATOM 49120 OH2 TIP3 3072 0.372 3.585 -1.765 1.00 0.00 WT4 O ATOM 49121 H1 TIP3 3072 -5.418 5.772 1.606 1.00 0.00 WT4 H ATOM 49122 H2 TIP3 3072 17.092 2.902 5.872 1.00 0.00 WT4 H ATOM 49123 OH2 TIP3 3073 0.071 1.840 1.135 1.00 0.00 WT4 O ATOM 49124 H1 TIP3 3073 2.114 -1.772 -10.077 1.00 0.00 WT4 H ATOM 49125 H2 TIP3 3073 -2.772 -6.165 9.568 1.00 0.00 WT4 H ATOM 49126 OH2 TIP3 3092 -5.892 0.723 -2.214 1.00 0.00 WT4 O ATOM 49127 H1 TIP3 3092 -24.305 -5.356 -11.243 1.00 0.00 WT4 H ATOM 49128 H2 TIP3 3092 -2.563 0.794 2.404 1.00 0.00 WT4 H ATOM 49129 OH2 TIP3 3095 1.576 -1.487 -6.429 1.00 0.00 WT4 O ATOM 49130 H1 TIP3 3095 23.606 24.313 -0.993 1.00 0.00 WT4 H ATOM 49131 H2 TIP3 3095 -20.239 6.890 5.241 1.00 0.00 WT4 H ATOM 49132 OH2 TIP3 3097 6.019 5.489 -0.232 1.00 0.00 WT4 O ATOM 49133 H1 TIP3 3097 10.541 4.189 6.818 1.00 0.00 WT4 H ATOM 49134 H2 TIP3 3097 9.632 6.219 4.743 1.00 0.00 WT4 H ATOM 49135 OH2 TIP3 3108 4.998 -3.941 -1.894 1.00 0.00 WT4 O ATOM 49136 H1 TIP3 3108 3.100 -4.253 -1.846 1.00 0.00 WT4 H ATOM 49137 H2 TIP3 3108 8.580 0.167 -1.577 1.00 0.00 WT4 H ATOM 49138 OH2 TIP3 3109 -2.809 5.041 -0.717 1.00 0.00 WT4 O ATOM 49139 H1 TIP3 3109 20.159 5.024 21.039 1.00 0.00 WT4 H ATOM 49140 H2 TIP3 3109 11.992 10.658 -23.297 1.00 0.00 WT4 H ATOM 49141 OH2 TIP3 3111 -1.728 0.806 1.377 1.00 0.00 WT4 O ATOM 49142 H1 TIP3 3111 4.325 16.984 -8.862 1.00 0.00 WT4 H ATOM 49143 H2 TIP3 3111 -8.455 -8.266 14.101 1.00 0.00 WT4 H ATOM 49144 OH2 TIP3 3112 0.360 -4.356 5.930 1.00 0.00 WT4 O ATOM 49145 H1 TIP3 3112 -6.474 5.122 8.986 1.00 0.00 WT4 H ATOM 49146 H2 TIP3 3112 10.541 -21.978 0.934 1.00 0.00 WT4 H ATOM 49147 OH2 TIP3 3114 3.239 -3.457 5.182 1.00 0.00 WT4 O ATOM 49148 H1 TIP3 3114 11.487 3.903 0.364 1.00 0.00 WT4 H ATOM 49149 H2 TIP3 3114 14.811 -2.222 -16.446 1.00 0.00 WT4 H ATOM 49150 OH2 TIP3 3115 2.762 3.945 2.622 1.00 0.00 WT4 O ATOM 49151 H1 TIP3 3115 -25.742 -9.643 -4.140 1.00 0.00 WT4 H ATOM 49152 H2 TIP3 3115 8.032 -12.326 30.632 1.00 0.00 WT4 H ATOM 49153 OH2 TIP3 3116 -10.584 -0.541 -3.562 1.00 0.00 WT4 O ATOM 49154 H1 TIP3 3116 24.945 15.224 -29.044 1.00 0.00 WT4 H ATOM 49155 H2 TIP3 3116 -7.117 5.221 -31.746 1.00 0.00 WT4 H ATOM 49156 OH2 TIP3 3133 2.141 -5.797 5.592 1.00 0.00 WT4 O ATOM 49157 H1 TIP3 3133 -5.916 -11.376 -2.262 1.00 0.00 WT4 H ATOM 49158 H2 TIP3 3133 -1.641 -8.211 2.882 1.00 0.00 WT4 H ATOM 49159 OH2 TIP3 3134 -2.754 1.144 0.598 1.00 0.00 WT4 O ATOM 49160 H1 TIP3 3134 -11.069 2.803 3.683 1.00 0.00 WT4 H ATOM 49161 H2 TIP3 3134 -6.208 0.361 8.680 1.00 0.00 WT4 H ATOM 49162 OH2 TIP3 3140 1.445 -0.737 -2.086 1.00 0.00 WT4 O ATOM 49163 H1 TIP3 3140 -4.546 -18.597 -13.417 1.00 0.00 WT4 H ATOM 49164 H2 TIP3 3140 -1.499 20.850 -18.505 1.00 0.00 WT4 H ATOM 49165 OH2 TIP3 3150 -3.136 -7.801 1.420 1.00 0.00 WT4 O ATOM 49166 H1 TIP3 3150 -11.585 1.737 6.319 1.00 0.00 WT4 H ATOM 49167 H2 TIP3 3150 -4.251 -5.095 -14.880 1.00 0.00 WT4 H ATOM 49168 OH2 TIP3 3151 0.846 -1.592 4.172 1.00 0.00 WT4 O ATOM 49169 H1 TIP3 3151 3.677 5.628 10.173 1.00 0.00 WT4 H ATOM 49170 H2 TIP3 3151 -32.324 1.439 17.272 1.00 0.00 WT4 H ATOM 49171 OH2 TIP3 3152 -4.875 -1.009 -3.468 1.00 0.00 WT4 O ATOM 49172 H1 TIP3 3152 -24.502 9.801 -18.937 1.00 0.00 WT4 H ATOM 49173 H2 TIP3 3152 10.634 -4.675 -4.440 1.00 0.00 WT4 H ATOM 49174 OH2 TIP3 3154 2.137 -5.044 0.268 1.00 0.00 WT4 O ATOM 49175 H1 TIP3 3154 -11.289 4.442 3.542 1.00 0.00 WT4 H ATOM 49176 H2 TIP3 3154 -7.849 -7.390 -7.248 1.00 0.00 WT4 H ATOM 49177 OH2 TIP3 3157 6.203 1.639 -5.114 1.00 0.00 WT4 O ATOM 49178 H1 TIP3 3157 7.674 1.787 -7.101 1.00 0.00 WT4 H ATOM 49179 H2 TIP3 3157 1.302 7.093 -6.197 1.00 0.00 WT4 H ATOM 49180 OH2 TIP3 3173 1.283 -2.502 1.407 1.00 0.00 WT4 O ATOM 49181 H1 TIP3 3173 -21.967 0.922 -0.583 1.00 0.00 WT4 H ATOM 49182 H2 TIP3 3173 21.609 -13.103 -13.657 1.00 0.00 WT4 H ATOM 49183 OH2 TIP3 3174 7.565 4.299 -1.287 1.00 0.00 WT4 O ATOM 49184 H1 TIP3 3174 -2.109 -11.711 -5.872 1.00 0.00 WT4 H ATOM 49185 H2 TIP3 3174 2.088 -3.601 -3.650 1.00 0.00 WT4 H ATOM 49186 OH2 TIP3 3176 2.937 0.617 4.328 1.00 0.00 WT4 O ATOM 49187 H1 TIP3 3176 12.778 -9.954 15.871 1.00 0.00 WT4 H ATOM 49188 H2 TIP3 3176 -2.458 -11.203 -4.304 1.00 0.00 WT4 H ATOM 49189 OH2 TIP3 3177 1.908 2.691 -3.059 1.00 0.00 WT4 O ATOM 49190 H1 TIP3 3177 -5.781 2.570 -13.484 1.00 0.00 WT4 H ATOM 49191 H2 TIP3 3177 -11.687 -12.531 -4.397 1.00 0.00 WT4 H ATOM 49192 OH2 TIP3 3179 -5.373 0.760 1.838 1.00 0.00 WT4 O ATOM 49193 H1 TIP3 3179 5.506 2.091 15.931 1.00 0.00 WT4 H ATOM 49194 H2 TIP3 3179 14.121 -4.710 14.599 1.00 0.00 WT4 H ATOM 49195 OH2 TIP3 3180 -2.969 -0.208 -0.101 1.00 0.00 WT4 O ATOM 49196 H1 TIP3 3180 23.471 -24.561 -3.281 1.00 0.00 WT4 H ATOM 49197 H2 TIP3 3180 5.061 -9.894 0.664 1.00 0.00 WT4 H ATOM 49198 OH2 TIP3 3187 -2.870 4.429 1.319 1.00 0.00 WT4 O ATOM 49199 H1 TIP3 3187 0.775 8.074 4.894 1.00 0.00 WT4 H ATOM 49200 H2 TIP3 3187 -3.351 0.361 -1.090 1.00 0.00 WT4 H ATOM 49201 OH2 TIP3 3192 -6.163 -4.012 -2.783 1.00 0.00 WT4 O ATOM 49202 H1 TIP3 3192 -9.626 10.544 5.520 1.00 0.00 WT4 H ATOM 49203 H2 TIP3 3192 -18.866 19.866 41.650 1.00 0.00 WT4 H ATOM 49204 OH2 TIP3 3193 4.323 -1.949 -2.788 1.00 0.00 WT4 O ATOM 49205 H1 TIP3 3193 11.794 -3.462 6.405 1.00 0.00 WT4 H ATOM 49206 H2 TIP3 3193 9.834 6.006 17.309 1.00 0.00 WT4 H ATOM 49207 OH2 TIP3 3195 -6.118 -1.369 -7.172 1.00 0.00 WT4 O ATOM 49208 H1 TIP3 3195 12.843 -10.661 -13.881 1.00 0.00 WT4 H ATOM 49209 H2 TIP3 3195 -33.305 10.934 1.459 1.00 0.00 WT4 H ATOM 49210 OH2 TIP3 3196 -4.662 0.599 2.593 1.00 0.00 WT4 O ATOM 49211 H1 TIP3 3196 -1.497 -7.711 9.887 1.00 0.00 WT4 H ATOM 49212 H2 TIP3 3196 4.053 4.369 -2.058 1.00 0.00 WT4 H ATOM 49213 OH2 TIP3 3198 6.548 -3.619 -0.084 1.00 0.00 WT4 O ATOM 49214 H1 TIP3 3198 13.112 3.988 0.398 1.00 0.00 WT4 H ATOM 49215 H2 TIP3 3198 -18.593 -14.190 -4.305 1.00 0.00 WT4 H ATOM 49216 OH2 TIP3 3200 5.157 -4.674 3.523 1.00 0.00 WT4 O ATOM 49217 H1 TIP3 3200 0.775 1.452 -0.798 1.00 0.00 WT4 H ATOM 49218 H2 TIP3 3200 -0.093 -8.982 10.835 1.00 0.00 WT4 H ATOM 49219 OH2 TIP3 3202 4.989 -1.384 1.569 1.00 0.00 WT4 O ATOM 49220 H1 TIP3 3202 -3.022 -5.119 -1.299 1.00 0.00 WT4 H ATOM 49221 H2 TIP3 3202 12.861 3.477 8.364 1.00 0.00 WT4 H ATOM 49222 OH2 TIP3 3214 3.624 6.411 4.990 1.00 0.00 WT4 O ATOM 49223 H1 TIP3 3214 1.441 2.186 -8.191 1.00 0.00 WT4 H ATOM 49224 H2 TIP3 3214 0.591 -15.305 -4.279 1.00 0.00 WT4 H ATOM 49225 OH2 TIP3 3215 3.289 -4.236 3.411 1.00 0.00 WT4 O ATOM 49226 H1 TIP3 3215 4.301 -2.075 -0.013 1.00 0.00 WT4 H ATOM 49227 H2 TIP3 3215 2.838 -0.178 0.072 1.00 0.00 WT4 H ATOM 49228 OH2 TIP3 3218 4.075 -2.169 -1.063 1.00 0.00 WT4 O ATOM 49229 H1 TIP3 3218 2.661 20.260 6.566 1.00 0.00 WT4 H ATOM 49230 H2 TIP3 3218 -8.787 -6.413 -11.230 1.00 0.00 WT4 H ATOM 49231 OH2 TIP3 3233 -1.269 2.727 0.271 1.00 0.00 WT4 O ATOM 49232 H1 TIP3 3233 7.858 4.103 -1.579 1.00 0.00 WT4 H ATOM 49233 H2 TIP3 3233 -2.014 2.643 1.419 1.00 0.00 WT4 H ATOM 49234 OH2 TIP3 3234 3.472 3.490 4.524 1.00 0.00 WT4 O ATOM 49235 H1 TIP3 3234 11.976 -8.597 8.871 1.00 0.00 WT4 H ATOM 49236 H2 TIP3 3234 -11.438 19.319 1.807 1.00 0.00 WT4 H ATOM 49237 OH2 TIP3 3236 -0.206 -5.616 -0.722 1.00 0.00 WT4 O ATOM 49238 H1 TIP3 3236 9.224 3.973 -24.571 1.00 0.00 WT4 H ATOM 49239 H2 TIP3 3236 0.783 -4.682 -2.645 1.00 0.00 WT4 H ATOM 49240 OH2 TIP3 3237 -1.777 -2.561 0.661 1.00 0.00 WT4 O ATOM 49241 H1 TIP3 3237 12.255 5.517 0.055 1.00 0.00 WT4 H ATOM 49242 H2 TIP3 3237 -0.755 -2.046 -2.803 1.00 0.00 WT4 H ATOM 49243 OH2 TIP3 3238 0.888 -1.623 -0.693 1.00 0.00 WT4 O ATOM 49244 H1 TIP3 3238 10.577 17.067 4.569 1.00 0.00 WT4 H ATOM 49245 H2 TIP3 3238 5.389 7.030 2.343 1.00 0.00 WT4 H ATOM 49246 OH2 TIP3 3240 0.534 -1.813 -2.226 1.00 0.00 WT4 O ATOM 49247 H1 TIP3 3240 -11.612 6.270 10.069 1.00 0.00 WT4 H ATOM 49248 H2 TIP3 3240 29.396 -16.456 4.138 1.00 0.00 WT4 H ATOM 49249 OH2 TIP3 3242 -1.348 0.034 -12.956 1.00 0.00 WT4 O ATOM 49250 H1 TIP3 3242 19.403 -21.471 10.394 1.00 0.00 WT4 H ATOM 49251 H2 TIP3 3242 -5.140 9.350 4.325 1.00 0.00 WT4 H ATOM 49252 OH2 TIP3 3244 -0.955 3.394 5.205 1.00 0.00 WT4 O ATOM 49253 H1 TIP3 3244 2.006 -5.418 6.743 1.00 0.00 WT4 H ATOM 49254 H2 TIP3 3244 1.897 11.593 2.246 1.00 0.00 WT4 H ATOM 49255 OH2 TIP3 3257 -2.383 3.250 1.766 1.00 0.00 WT4 O ATOM 49256 H1 TIP3 3257 2.185 17.047 -2.439 1.00 0.00 WT4 H ATOM 49257 H2 TIP3 3257 0.048 1.435 -6.118 1.00 0.00 WT4 H ATOM 49258 OH2 TIP3 3258 3.773 -1.471 -1.577 1.00 0.00 WT4 O ATOM 49259 H1 TIP3 3258 3.121 -10.900 2.519 1.00 0.00 WT4 H ATOM 49260 H2 TIP3 3258 3.161 5.274 -8.301 1.00 0.00 WT4 H ATOM 49261 OH2 TIP3 3262 0.162 -1.684 2.245 1.00 0.00 WT4 O ATOM 49262 H1 TIP3 3262 -6.573 -1.381 19.435 1.00 0.00 WT4 H ATOM 49263 H2 TIP3 3262 -3.546 13.012 -1.417 1.00 0.00 WT4 H ATOM 49264 OH2 TIP3 3274 0.465 2.369 1.041 1.00 0.00 WT4 O ATOM 49265 H1 TIP3 3274 -0.881 20.945 2.993 1.00 0.00 WT4 H ATOM 49266 H2 TIP3 3274 0.850 -3.200 -8.243 1.00 0.00 WT4 H ATOM 49267 OH2 TIP3 3275 0.803 2.366 1.031 1.00 0.00 WT4 O ATOM 49268 H1 TIP3 3275 -8.938 -18.452 0.555 1.00 0.00 WT4 H ATOM 49269 H2 TIP3 3275 -19.744 -1.119 26.366 1.00 0.00 WT4 H ATOM 49270 OH2 TIP3 3280 -4.019 0.472 -2.750 1.00 0.00 WT4 O ATOM 49271 H1 TIP3 3280 16.684 13.102 9.980 1.00 0.00 WT4 H ATOM 49272 H2 TIP3 3280 -8.780 1.141 5.234 1.00 0.00 WT4 H ATOM 49273 OH2 TIP3 3282 2.626 -2.076 -6.516 1.00 0.00 WT4 O ATOM 49274 H1 TIP3 3282 -1.390 2.216 -19.511 1.00 0.00 WT4 H ATOM 49275 H2 TIP3 3282 7.906 -7.772 10.819 1.00 0.00 WT4 H ATOM 49276 OH2 TIP3 3296 1.969 -7.899 -2.998 1.00 0.00 WT4 O ATOM 49277 H1 TIP3 3296 -18.039 -12.901 -13.406 1.00 0.00 WT4 H ATOM 49278 H2 TIP3 3296 -8.474 16.794 -16.273 1.00 0.00 WT4 H ATOM 49279 OH2 TIP3 3301 -1.648 -5.593 8.608 1.00 0.00 WT4 O ATOM 49280 H1 TIP3 3301 -2.778 -3.347 7.760 1.00 0.00 WT4 H ATOM 49281 H2 TIP3 3301 2.580 -6.458 20.622 1.00 0.00 WT4 H ATOM 49282 OH2 TIP3 3302 2.241 -0.199 -6.508 1.00 0.00 WT4 O ATOM 49283 H1 TIP3 3302 3.568 -8.494 -2.773 1.00 0.00 WT4 H ATOM 49284 H2 TIP3 3302 -8.714 -8.502 7.307 1.00 0.00 WT4 H ATOM 49285 OH2 TIP3 3303 0.265 5.546 -5.432 1.00 0.00 WT4 O ATOM 49286 H1 TIP3 3303 5.368 10.840 -21.001 1.00 0.00 WT4 H ATOM 49287 H2 TIP3 3303 -9.256 -9.197 -8.557 1.00 0.00 WT4 H ATOM 49288 OH2 TIP3 3304 -5.433 4.605 1.883 1.00 0.00 WT4 O ATOM 49289 H1 TIP3 3304 4.696 26.542 -9.627 1.00 0.00 WT4 H ATOM 49290 H2 TIP3 3304 -11.048 -3.004 3.654 1.00 0.00 WT4 H ATOM 49291 OH2 TIP3 3317 1.678 -0.989 -4.453 1.00 0.00 WT4 O ATOM 49292 H1 TIP3 3317 -7.334 19.751 -19.147 1.00 0.00 WT4 H ATOM 49293 H2 TIP3 3317 29.408 -13.636 -18.087 1.00 0.00 WT4 H ATOM 49294 OH2 TIP3 3347 1.814 0.928 0.661 1.00 0.00 WT4 O ATOM 49295 H1 TIP3 3347 -2.304 -6.818 -10.761 1.00 0.00 WT4 H ATOM 49296 H2 TIP3 3347 -2.724 -11.916 -8.267 1.00 0.00 WT4 H ATOM 49297 OH2 TIP3 3348 -0.922 -4.057 4.327 1.00 0.00 WT4 O ATOM 49298 H1 TIP3 3348 -3.088 3.091 -8.451 1.00 0.00 WT4 H ATOM 49299 H2 TIP3 3348 10.309 3.864 2.301 1.00 0.00 WT4 H ATOM 49300 OH2 TIP3 3367 -1.565 -4.123 1.866 1.00 0.00 WT4 O ATOM 49301 H1 TIP3 3367 12.045 -3.170 5.641 1.00 0.00 WT4 H ATOM 49302 H2 TIP3 3367 -5.941 -15.415 6.620 1.00 0.00 WT4 H ATOM 49303 OH2 TIP3 3382 1.788 -4.611 -4.971 1.00 0.00 WT4 O ATOM 49304 H1 TIP3 3382 -3.483 -1.645 -11.436 1.00 0.00 WT4 H ATOM 49305 H2 TIP3 3382 0.014 -14.106 -3.524 1.00 0.00 WT4 H ATOM 49306 OH2 TIP3 3408 -2.136 -1.326 1.529 1.00 0.00 WT4 O ATOM 49307 H1 TIP3 3408 -22.773 16.925 -4.656 1.00 0.00 WT4 H ATOM 49308 H2 TIP3 3408 -8.151 4.379 -0.391 1.00 0.00 WT4 H ATOM 49309 OH2 TIP3 3426 7.962 -8.113 -3.971 1.00 0.00 WT4 O ATOM 49310 H1 TIP3 3426 14.278 -3.035 3.666 1.00 0.00 WT4 H ATOM 49311 H2 TIP3 3426 9.475 -10.593 -6.381 1.00 0.00 WT4 H ATOM 49312 OH2 TIP3 3442 2.345 4.324 -4.451 1.00 0.00 WT4 O ATOM 49313 H1 TIP3 3442 1.583 -12.298 9.867 1.00 0.00 WT4 H ATOM 49314 H2 TIP3 3442 2.393 12.932 -11.730 1.00 0.00 WT4 H ATOM 49315 OH2 TIP3 3447 4.762 -7.116 4.596 1.00 0.00 WT4 O ATOM 49316 H1 TIP3 3447 1.762 -12.138 1.913 1.00 0.00 WT4 H ATOM 49317 H2 TIP3 3447 9.059 -8.483 12.990 1.00 0.00 WT4 H ATOM 49318 OH2 TIP3 3484 2.953 -7.823 4.526 1.00 0.00 WT4 O ATOM 49319 H1 TIP3 3484 -10.450 -16.955 16.167 1.00 0.00 WT4 H ATOM 49320 H2 TIP3 3484 10.450 -4.845 3.564 1.00 0.00 WT4 H ATOM 49321 OH2 TIP3 3511 1.983 -2.378 2.797 1.00 0.00 WT4 O ATOM 49322 H1 TIP3 3511 -2.727 -3.292 -1.218 1.00 0.00 WT4 H ATOM 49323 H2 TIP3 3511 17.598 8.810 -16.797 1.00 0.00 WT4 H ATOM 49324 OH2 TIP3 3513 4.074 3.162 4.617 1.00 0.00 WT4 O ATOM 49325 H1 TIP3 3513 1.941 -0.513 0.492 1.00 0.00 WT4 H ATOM 49326 H2 TIP3 3513 2.501 7.565 6.757 1.00 0.00 WT4 H ATOM 49327 OH2 TIP3 3514 -0.333 -4.600 -1.338 1.00 0.00 WT4 O ATOM 49328 H1 TIP3 3514 -3.632 -5.218 -3.966 1.00 0.00 WT4 H ATOM 49329 H2 TIP3 3514 -9.233 8.961 -10.540 1.00 0.00 WT4 H ATOM 49330 OH2 TIP3 3526 -0.502 -6.174 0.957 1.00 0.00 WT4 O ATOM 49331 H1 TIP3 3526 1.002 -2.265 10.777 1.00 0.00 WT4 H ATOM 49332 H2 TIP3 3526 -11.296 21.663 11.497 1.00 0.00 WT4 H ATOM 49333 OH2 TIP3 3527 5.884 -3.798 -1.458 1.00 0.00 WT4 O ATOM 49334 H1 TIP3 3527 -0.910 16.501 -4.438 1.00 0.00 WT4 H ATOM 49335 H2 TIP3 3527 12.168 -5.372 20.891 1.00 0.00 WT4 H ATOM 49336 OH2 TIP3 3533 16.556 -2.906 -1.029 1.00 0.00 WT4 O ATOM 49337 H1 TIP3 3533 22.340 2.153 -14.836 1.00 0.00 WT4 H ATOM 49338 H2 TIP3 3533 5.951 9.312 4.690 1.00 0.00 WT4 H ATOM 49339 OH2 TIP3 3534 -1.369 -1.537 -2.322 1.00 0.00 WT4 O ATOM 49340 H1 TIP3 3534 11.658 -12.859 28.536 1.00 0.00 WT4 H ATOM 49341 H2 TIP3 3534 0.759 -17.833 29.938 1.00 0.00 WT4 H ATOM 49342 OH2 TIP3 3545 6.511 3.739 1.829 1.00 0.00 WT4 O ATOM 49343 H1 TIP3 3545 -2.951 -12.849 -3.300 1.00 0.00 WT4 H ATOM 49344 H2 TIP3 3545 24.130 11.151 -18.872 1.00 0.00 WT4 H ATOM 49345 OH2 TIP3 3548 2.078 3.184 2.609 1.00 0.00 WT4 O ATOM 49346 H1 TIP3 3548 -13.952 13.325 -0.178 1.00 0.00 WT4 H ATOM 49347 H2 TIP3 3548 -4.310 20.937 -1.088 1.00 0.00 WT4 H ATOM 49348 OH2 TIP3 3554 3.604 -8.799 -0.670 1.00 0.00 WT4 O ATOM 49349 H1 TIP3 3554 10.664 -5.735 -4.384 1.00 0.00 WT4 H ATOM 49350 H2 TIP3 3554 -8.352 12.251 13.692 1.00 0.00 WT4 H ATOM 49351 OH2 TIP3 3555 -1.772 -2.198 3.918 1.00 0.00 WT4 O ATOM 49352 H1 TIP3 3555 -4.241 -14.456 1.905 1.00 0.00 WT4 H ATOM 49353 H2 TIP3 3555 -0.074 1.292 -13.510 1.00 0.00 WT4 H ATOM 49354 OH2 TIP3 3569 -4.530 4.494 -2.357 1.00 0.00 WT4 O ATOM 49355 H1 TIP3 3569 0.060 16.852 -4.067 1.00 0.00 WT4 H ATOM 49356 H2 TIP3 3569 -6.374 8.569 13.743 1.00 0.00 WT4 H ATOM 49357 OH2 TIP3 3573 -1.267 10.177 -3.936 1.00 0.00 WT4 O ATOM 49358 H1 TIP3 3573 2.234 2.149 10.339 1.00 0.00 WT4 H ATOM 49359 H2 TIP3 3573 -2.365 2.111 7.902 1.00 0.00 WT4 H ATOM 49360 OH2 TIP3 3575 3.471 -0.547 0.433 1.00 0.00 WT4 O ATOM 49361 H1 TIP3 3575 -0.036 -0.142 -4.167 1.00 0.00 WT4 H ATOM 49362 H2 TIP3 3575 -13.602 -7.978 1.520 1.00 0.00 WT4 H ATOM 49363 OH2 TIP3 3593 1.888 -0.950 6.467 1.00 0.00 WT4 O ATOM 49364 H1 TIP3 3593 1.496 -2.881 1.100 1.00 0.00 WT4 H ATOM 49365 H2 TIP3 3593 1.906 -1.227 8.581 1.00 0.00 WT4 H ATOM 49366 OH2 TIP3 3595 -3.891 -0.979 1.943 1.00 0.00 WT4 O ATOM 49367 H1 TIP3 3595 0.093 -17.339 11.265 1.00 0.00 WT4 H ATOM 49368 H2 TIP3 3595 -22.170 19.215 15.376 1.00 0.00 WT4 H ATOM 49369 OH2 TIP3 3596 1.550 -2.685 -1.681 1.00 0.00 WT4 O ATOM 49370 H1 TIP3 3596 17.133 -8.565 11.873 1.00 0.00 WT4 H ATOM 49371 H2 TIP3 3596 -32.559 -0.029 -20.508 1.00 0.00 WT4 H ATOM 49372 OH2 TIP3 3597 -8.509 6.505 3.342 1.00 0.00 WT4 O ATOM 49373 H1 TIP3 3597 -6.353 4.422 9.393 1.00 0.00 WT4 H ATOM 49374 H2 TIP3 3597 -13.856 11.836 10.236 1.00 0.00 WT4 H ATOM 49375 OH2 TIP3 3599 -6.151 -5.682 -7.559 1.00 0.00 WT4 O ATOM 49376 H1 TIP3 3599 -7.209 -7.725 -6.815 1.00 0.00 WT4 H ATOM 49377 H2 TIP3 3599 -7.151 -6.084 -11.060 1.00 0.00 WT4 H ATOM 49378 OH2 TIP3 3614 -2.364 -0.214 -9.522 1.00 0.00 WT4 O ATOM 49379 H1 TIP3 3614 4.094 -24.715 -7.434 1.00 0.00 WT4 H ATOM 49380 H2 TIP3 3614 -13.091 -24.605 4.210 1.00 0.00 WT4 H ATOM 49381 OH2 TIP3 3615 4.345 -2.974 2.745 1.00 0.00 WT4 O ATOM 49382 H1 TIP3 3615 -20.942 -15.929 -12.078 1.00 0.00 WT4 H ATOM 49383 H2 TIP3 3615 18.784 12.769 26.466 1.00 0.00 WT4 H ATOM 49384 OH2 TIP3 3623 4.298 2.618 2.101 1.00 0.00 WT4 O ATOM 49385 H1 TIP3 3623 15.044 -7.560 3.350 1.00 0.00 WT4 H ATOM 49386 H2 TIP3 3623 4.465 1.272 1.305 1.00 0.00 WT4 H ATOM 49387 OH2 TIP3 3633 -1.694 1.964 4.895 1.00 0.00 WT4 O ATOM 49388 H1 TIP3 3633 4.860 10.567 -4.840 1.00 0.00 WT4 H ATOM 49389 H2 TIP3 3633 -20.356 19.968 8.291 1.00 0.00 WT4 H ATOM 49390 OH2 TIP3 3634 1.229 -0.538 3.538 1.00 0.00 WT4 O ATOM 49391 H1 TIP3 3634 -26.200 5.851 13.843 1.00 0.00 WT4 H ATOM 49392 H2 TIP3 3634 10.170 -11.663 4.082 1.00 0.00 WT4 H ATOM 49393 OH2 TIP3 3636 -4.040 -3.435 0.708 1.00 0.00 WT4 O ATOM 49394 H1 TIP3 3636 0.903 2.982 12.112 1.00 0.00 WT4 H ATOM 49395 H2 TIP3 3636 -4.728 -7.626 -2.724 1.00 0.00 WT4 H ATOM 49396 OH2 TIP3 3638 -3.317 5.247 0.198 1.00 0.00 WT4 O ATOM 49397 H1 TIP3 3638 -12.358 14.367 -7.152 1.00 0.00 WT4 H ATOM 49398 H2 TIP3 3638 2.803 4.655 3.870 1.00 0.00 WT4 H ATOM 49399 OH2 TIP3 3639 4.269 3.606 6.104 1.00 0.00 WT4 O ATOM 49400 H1 TIP3 3639 -14.615 23.735 10.902 1.00 0.00 WT4 H ATOM 49401 H2 TIP3 3639 -8.002 11.277 4.496 1.00 0.00 WT4 H ATOM 49402 OH2 TIP3 3641 0.555 -1.900 2.057 1.00 0.00 WT4 O ATOM 49403 H1 TIP3 3641 -7.195 -16.422 8.287 1.00 0.00 WT4 H ATOM 49404 H2 TIP3 3641 38.901 1.150 8.292 1.00 0.00 WT4 H ATOM 49405 OH2 TIP3 3650 2.797 -4.266 4.616 1.00 0.00 WT4 O ATOM 49406 H1 TIP3 3650 -4.387 0.544 22.617 1.00 0.00 WT4 H ATOM 49407 H2 TIP3 3650 2.606 -11.009 -23.806 1.00 0.00 WT4 H ATOM 49408 OH2 TIP3 3651 5.417 -4.110 0.012 1.00 0.00 WT4 O ATOM 49409 H1 TIP3 3651 6.234 11.202 -26.114 1.00 0.00 WT4 H ATOM 49410 H2 TIP3 3651 -2.461 6.398 35.268 1.00 0.00 WT4 H ATOM 49411 OH2 TIP3 3653 4.016 -6.377 -0.378 1.00 0.00 WT4 O ATOM 49412 H1 TIP3 3653 -14.487 2.462 8.414 1.00 0.00 WT4 H ATOM 49413 H2 TIP3 3653 10.430 -32.687 -11.908 1.00 0.00 WT4 H ATOM 49414 OH2 TIP3 3660 -2.341 -7.029 -1.834 1.00 0.00 WT4 O ATOM 49415 H1 TIP3 3660 18.552 0.712 -12.513 1.00 0.00 WT4 H ATOM 49416 H2 TIP3 3660 -20.261 -2.981 7.336 1.00 0.00 WT4 H ATOM 49417 OH2 TIP3 3661 -7.601 -1.455 5.620 1.00 0.00 WT4 O ATOM 49418 H1 TIP3 3661 -0.484 9.332 4.504 1.00 0.00 WT4 H ATOM 49419 H2 TIP3 3661 -23.748 1.673 4.584 1.00 0.00 WT4 H ATOM 49420 OH2 TIP3 3662 -7.010 -2.691 0.152 1.00 0.00 WT4 O ATOM 49421 H1 TIP3 3662 -2.139 -10.133 -1.350 1.00 0.00 WT4 H ATOM 49422 H2 TIP3 3662 -15.692 10.269 5.918 1.00 0.00 WT4 H ATOM 49423 OH2 TIP3 3674 -1.131 1.863 -4.482 1.00 0.00 WT4 O ATOM 49424 H1 TIP3 3674 -6.216 -1.521 -11.213 1.00 0.00 WT4 H ATOM 49425 H2 TIP3 3674 8.687 13.693 -1.859 1.00 0.00 WT4 H ATOM 49426 OH2 TIP3 3675 -0.925 -1.262 -4.701 1.00 0.00 WT4 O ATOM 49427 H1 TIP3 3675 -5.220 14.318 11.318 1.00 0.00 WT4 H ATOM 49428 H2 TIP3 3675 3.322 2.216 -14.296 1.00 0.00 WT4 H ATOM 49429 OH2 TIP3 3693 -1.061 1.818 -7.310 1.00 0.00 WT4 O ATOM 49430 H1 TIP3 3693 12.130 -4.716 -13.156 1.00 0.00 WT4 H ATOM 49431 H2 TIP3 3693 3.262 -5.339 -3.175 1.00 0.00 WT4 H ATOM 49432 OH2 TIP3 3697 -1.283 3.036 -9.829 1.00 0.00 WT4 O ATOM 49433 H1 TIP3 3697 16.960 -1.121 3.849 1.00 0.00 WT4 H ATOM 49434 H2 TIP3 3697 -5.083 -0.476 -4.343 1.00 0.00 WT4 H ATOM 49435 OH2 TIP3 3700 -2.563 3.368 0.238 1.00 0.00 WT4 O ATOM 49436 H1 TIP3 3700 -14.768 -7.533 24.952 1.00 0.00 WT4 H ATOM 49437 H2 TIP3 3700 -6.960 20.152 -11.646 1.00 0.00 WT4 H ATOM 49438 OH2 TIP3 3701 2.962 -1.223 0.596 1.00 0.00 WT4 O ATOM 49439 H1 TIP3 3701 14.099 0.990 -2.129 1.00 0.00 WT4 H ATOM 49440 H2 TIP3 3701 4.902 -12.639 11.271 1.00 0.00 WT4 H ATOM 49441 OH2 TIP3 3703 3.851 0.869 3.649 1.00 0.00 WT4 O ATOM 49442 H1 TIP3 3703 -4.276 2.806 -0.924 1.00 0.00 WT4 H ATOM 49443 H2 TIP3 3703 -8.785 7.748 -14.153 1.00 0.00 WT4 H ATOM 49444 OH2 TIP3 3708 7.430 -1.885 -3.851 1.00 0.00 WT4 O ATOM 49445 H1 TIP3 3708 -6.175 1.706 -4.584 1.00 0.00 WT4 H ATOM 49446 H2 TIP3 3708 -6.988 2.727 -3.967 1.00 0.00 WT4 H ATOM 49447 OH2 TIP3 3718 -2.275 -1.095 -1.535 1.00 0.00 WT4 O ATOM 49448 H1 TIP3 3718 -0.574 -0.823 -1.910 1.00 0.00 WT4 H ATOM 49449 H2 TIP3 3718 -19.459 -2.032 2.260 1.00 0.00 WT4 H ATOM 49450 OH2 TIP3 3720 4.751 3.169 -3.401 1.00 0.00 WT4 O ATOM 49451 H1 TIP3 3720 6.678 -6.475 -0.127 1.00 0.00 WT4 H ATOM 49452 H2 TIP3 3720 7.185 -20.979 -3.191 1.00 0.00 WT4 H ATOM 49453 OH2 TIP3 3721 3.127 1.407 0.580 1.00 0.00 WT4 O ATOM 49454 H1 TIP3 3721 5.606 2.203 0.896 1.00 0.00 WT4 H ATOM 49455 H2 TIP3 3721 -8.053 7.075 2.492 1.00 0.00 WT4 H ATOM 49456 OH2 TIP3 3722 -6.171 -2.412 2.995 1.00 0.00 WT4 O ATOM 49457 H1 TIP3 3722 -1.520 9.443 5.004 1.00 0.00 WT4 H ATOM 49458 H2 TIP3 3722 -2.659 -28.356 -2.180 1.00 0.00 WT4 H ATOM 49459 OH2 TIP3 3723 6.577 0.303 1.751 1.00 0.00 WT4 O ATOM 49460 H1 TIP3 3723 -2.656 -12.555 -14.913 1.00 0.00 WT4 H ATOM 49461 H2 TIP3 3723 2.117 22.533 5.005 1.00 0.00 WT4 H ATOM 49462 OH2 TIP3 3727 0.704 -3.660 -3.125 1.00 0.00 WT4 O ATOM 49463 H1 TIP3 3727 -9.207 -1.222 6.040 1.00 0.00 WT4 H ATOM 49464 H2 TIP3 3727 7.646 -10.076 -1.715 1.00 0.00 WT4 H ATOM 49465 OH2 TIP3 3740 -4.795 2.745 -2.308 1.00 0.00 WT4 O ATOM 49466 H1 TIP3 3740 -2.125 -1.575 -2.119 1.00 0.00 WT4 H ATOM 49467 H2 TIP3 3740 4.802 1.659 7.598 1.00 0.00 WT4 H ATOM 49468 OH2 TIP3 3757 7.596 -2.965 -3.565 1.00 0.00 WT4 O ATOM 49469 H1 TIP3 3757 10.782 -13.197 6.045 1.00 0.00 WT4 H ATOM 49470 H2 TIP3 3757 13.316 -4.687 -7.995 1.00 0.00 WT4 H ATOM 49471 OH2 TIP3 3821 4.972 -3.793 -3.952 1.00 0.00 WT4 O ATOM 49472 H1 TIP3 3821 27.934 -10.643 39.822 1.00 0.00 WT4 H ATOM 49473 H2 TIP3 3821 -23.894 1.847 -9.331 1.00 0.00 WT4 H ATOM 49474 OH2 TIP3 3829 -10.334 0.815 0.459 1.00 0.00 WT4 O ATOM 49475 H1 TIP3 3829 -6.944 -12.186 18.019 1.00 0.00 WT4 H ATOM 49476 H2 TIP3 3829 9.600 -2.769 -7.835 1.00 0.00 WT4 H ATOM 49477 OH2 TIP3 3925 -7.360 -0.289 -5.719 1.00 0.00 WT4 O ATOM 49478 H1 TIP3 3925 -4.668 -25.528 -23.705 1.00 0.00 WT4 H ATOM 49479 H2 TIP3 3925 14.695 -1.962 14.989 1.00 0.00 WT4 H ATOM 49480 OH2 TIP3 3931 5.446 0.735 -1.505 1.00 0.00 WT4 O ATOM 49481 H1 TIP3 3931 -12.320 -8.331 -5.509 1.00 0.00 WT4 H ATOM 49482 H2 TIP3 3931 -10.259 -8.905 -5.590 1.00 0.00 WT4 H ATOM 49483 OH2 TIP3 3933 -3.656 10.600 -4.466 1.00 0.00 WT4 O ATOM 49484 H1 TIP3 3933 -23.340 16.235 3.532 1.00 0.00 WT4 H ATOM 49485 H2 TIP3 3933 0.853 -3.211 -2.999 1.00 0.00 WT4 H ATOM 49486 OH2 TIP3 3951 4.976 -4.669 4.154 1.00 0.00 WT4 O ATOM 49487 H1 TIP3 3951 12.348 -2.421 11.464 1.00 0.00 WT4 H ATOM 49488 H2 TIP3 3951 -21.540 23.020 -19.653 1.00 0.00 WT4 H ATOM 49489 OH2 TIP3 3973 -3.789 1.662 4.984 1.00 0.00 WT4 O ATOM 49490 H1 TIP3 3973 -8.520 2.774 7.393 1.00 0.00 WT4 H ATOM 49491 H2 TIP3 3973 -5.357 4.420 8.531 1.00 0.00 WT4 H ATOM 49492 OH2 TIP3 3974 0.067 -2.806 2.075 1.00 0.00 WT4 O ATOM 49493 H1 TIP3 3974 3.148 1.967 4.653 1.00 0.00 WT4 H ATOM 49494 H2 TIP3 3974 1.745 -7.774 4.521 1.00 0.00 WT4 H ATOM 49495 OH2 TIP3 3975 0.304 3.488 4.352 1.00 0.00 WT4 O ATOM 49496 H1 TIP3 3975 20.611 -3.659 -2.866 1.00 0.00 WT4 H ATOM 49497 H2 TIP3 3975 -6.305 7.196 9.762 1.00 0.00 WT4 H ATOM 49498 OH2 TIP3 3976 -6.785 -3.044 -5.809 1.00 0.00 WT4 O ATOM 49499 H1 TIP3 3976 -4.927 16.196 2.980 1.00 0.00 WT4 H ATOM 49500 H2 TIP3 3976 -9.679 -0.920 -12.274 1.00 0.00 WT4 H ATOM 49501 OH2 TIP3 3977 -0.418 -2.634 -3.084 1.00 0.00 WT4 O ATOM 49502 H1 TIP3 3977 2.189 -31.612 1.772 1.00 0.00 WT4 H ATOM 49503 H2 TIP3 3977 1.703 16.330 -6.042 1.00 0.00 WT4 H ATOM 49504 OH2 TIP3 3991 4.228 1.769 0.876 1.00 0.00 WT4 O ATOM 49505 H1 TIP3 3991 -3.816 6.855 3.223 1.00 0.00 WT4 H ATOM 49506 H2 TIP3 3991 1.369 -18.077 -6.311 1.00 0.00 WT4 H ATOM 49507 OH2 TIP3 3992 2.842 -0.078 -7.013 1.00 0.00 WT4 O ATOM 49508 H1 TIP3 3992 4.430 -9.990 -7.621 1.00 0.00 WT4 H ATOM 49509 H2 TIP3 3992 -3.306 -4.610 -9.182 1.00 0.00 WT4 H ATOM 49510 OH2 TIP3 3993 3.962 -5.955 1.363 1.00 0.00 WT4 O ATOM 49511 H1 TIP3 3993 10.828 5.922 -2.634 1.00 0.00 WT4 H ATOM 49512 H2 TIP3 3993 -1.530 -9.414 -16.837 1.00 0.00 WT4 H ATOM 49513 OH2 TIP3 3995 3.698 7.405 1.302 1.00 0.00 WT4 O ATOM 49514 H1 TIP3 3995 -6.250 14.842 0.638 1.00 0.00 WT4 H ATOM 49515 H2 TIP3 3995 14.867 14.503 7.032 1.00 0.00 WT4 H ATOM 49516 OH2 TIP3 4009 4.463 6.436 -3.939 1.00 0.00 WT4 O ATOM 49517 H1 TIP3 4009 -8.818 8.352 -15.338 1.00 0.00 WT4 H ATOM 49518 H2 TIP3 4009 -5.768 5.534 -6.802 1.00 0.00 WT4 H ATOM 49519 OH2 TIP3 4010 4.185 8.342 -4.685 1.00 0.00 WT4 O ATOM 49520 H1 TIP3 4010 -9.428 -17.551 -24.263 1.00 0.00 WT4 H ATOM 49521 H2 TIP3 4010 4.507 13.574 -8.098 1.00 0.00 WT4 H ATOM 49522 OH2 TIP3 4012 2.852 -1.221 -0.644 1.00 0.00 WT4 O ATOM 49523 H1 TIP3 4012 7.168 -14.503 -10.648 1.00 0.00 WT4 H ATOM 49524 H2 TIP3 4012 -8.416 -6.973 27.018 1.00 0.00 WT4 H ATOM 49525 OH2 TIP3 4014 0.957 -0.540 2.702 1.00 0.00 WT4 O ATOM 49526 H1 TIP3 4014 12.516 -24.650 -7.849 1.00 0.00 WT4 H ATOM 49527 H2 TIP3 4014 23.712 16.982 13.241 1.00 0.00 WT4 H ATOM 49528 OH2 TIP3 4015 0.635 -1.298 0.276 1.00 0.00 WT4 O ATOM 49529 H1 TIP3 4015 -1.269 -2.026 -0.681 1.00 0.00 WT4 H ATOM 49530 H2 TIP3 4015 -0.834 0.559 1.912 1.00 0.00 WT4 H ATOM 49531 OH2 TIP3 4016 -0.158 -4.153 0.056 1.00 0.00 WT4 O ATOM 49532 H1 TIP3 4016 7.126 -1.652 0.691 1.00 0.00 WT4 H ATOM 49533 H2 TIP3 4016 -23.105 -12.854 -1.947 1.00 0.00 WT4 H ATOM 49534 OH2 TIP3 4017 3.373 5.190 -2.031 1.00 0.00 WT4 O ATOM 49535 H1 TIP3 4017 -28.909 6.105 13.912 1.00 0.00 WT4 H ATOM 49536 H2 TIP3 4017 8.527 18.280 21.690 1.00 0.00 WT4 H ATOM 49537 OH2 TIP3 4021 -0.196 4.505 -0.003 1.00 0.00 WT4 O ATOM 49538 H1 TIP3 4021 3.433 10.931 5.362 1.00 0.00 WT4 H ATOM 49539 H2 TIP3 4021 0.664 4.117 0.965 1.00 0.00 WT4 H ATOM 49540 OH2 TIP3 4022 -2.944 8.120 3.549 1.00 0.00 WT4 O ATOM 49541 H1 TIP3 4022 -3.326 8.911 -3.029 1.00 0.00 WT4 H ATOM 49542 H2 TIP3 4022 23.816 -21.430 -6.783 1.00 0.00 WT4 H ATOM 49543 OH2 TIP3 4030 -6.599 -1.935 -5.396 1.00 0.00 WT4 O ATOM 49544 H1 TIP3 4030 17.442 -9.346 -15.562 1.00 0.00 WT4 H ATOM 49545 H2 TIP3 4030 -8.662 21.619 -13.644 1.00 0.00 WT4 H ATOM 49546 OH2 TIP3 4035 6.266 -1.355 1.056 1.00 0.00 WT4 O ATOM 49547 H1 TIP3 4035 0.501 -5.278 7.208 1.00 0.00 WT4 H ATOM 49548 H2 TIP3 4035 -16.066 -7.909 1.954 1.00 0.00 WT4 H ATOM 49549 OH2 TIP3 4036 9.203 -4.942 -4.092 1.00 0.00 WT4 O ATOM 49550 H1 TIP3 4036 5.588 -8.305 -17.706 1.00 0.00 WT4 H ATOM 49551 H2 TIP3 4036 4.118 -8.368 2.871 1.00 0.00 WT4 H ATOM 49552 OH2 TIP3 4040 -1.490 -3.048 -7.334 1.00 0.00 WT4 O ATOM 49553 H1 TIP3 4040 0.001 18.738 -6.766 1.00 0.00 WT4 H ATOM 49554 H2 TIP3 4040 -21.945 -23.238 4.719 1.00 0.00 WT4 H ATOM 49555 OH2 TIP3 4053 -0.114 -2.886 -0.238 1.00 0.00 WT4 O ATOM 49556 H1 TIP3 4053 -4.257 22.092 10.070 1.00 0.00 WT4 H ATOM 49557 H2 TIP3 4053 -10.587 2.127 10.069 1.00 0.00 WT4 H ATOM 49558 OH2 TIP3 4054 -4.845 -1.735 4.326 1.00 0.00 WT4 O ATOM 49559 H1 TIP3 4054 11.281 1.185 -13.812 1.00 0.00 WT4 H ATOM 49560 H2 TIP3 4054 -5.950 8.881 3.792 1.00 0.00 WT4 H ATOM 49561 OH2 TIP3 4055 5.289 -2.714 2.786 1.00 0.00 WT4 O ATOM 49562 H1 TIP3 4055 -8.728 11.770 13.479 1.00 0.00 WT4 H ATOM 49563 H2 TIP3 4055 6.602 -10.200 -1.393 1.00 0.00 WT4 H ATOM 49564 OH2 TIP3 4056 -6.765 -4.580 0.719 1.00 0.00 WT4 O ATOM 49565 H1 TIP3 4056 -4.166 3.276 13.851 1.00 0.00 WT4 H ATOM 49566 H2 TIP3 4056 -2.850 2.286 11.493 1.00 0.00 WT4 H ATOM 49567 OH2 TIP3 4057 0.522 -1.250 -2.329 1.00 0.00 WT4 O ATOM 49568 H1 TIP3 4057 34.059 -23.963 11.240 1.00 0.00 WT4 H ATOM 49569 H2 TIP3 4057 -19.740 0.676 -4.040 1.00 0.00 WT4 H ATOM 49570 OH2 TIP3 4058 -7.743 4.849 3.617 1.00 0.00 WT4 O ATOM 49571 H1 TIP3 4058 3.030 17.240 9.688 1.00 0.00 WT4 H ATOM 49572 H2 TIP3 4058 -16.355 13.192 -9.867 1.00 0.00 WT4 H ATOM 49573 OH2 TIP3 4059 -0.358 -10.262 1.199 1.00 0.00 WT4 O ATOM 49574 H1 TIP3 4059 5.611 -5.337 -7.448 1.00 0.00 WT4 H ATOM 49575 H2 TIP3 4059 5.014 -4.920 9.676 1.00 0.00 WT4 H ATOM 49576 OH2 TIP3 4060 -3.784 -1.640 -3.876 1.00 0.00 WT4 O ATOM 49577 H1 TIP3 4060 -4.281 3.979 -5.568 1.00 0.00 WT4 H ATOM 49578 H2 TIP3 4060 1.062 -1.611 -2.036 1.00 0.00 WT4 H ATOM 49579 OH2 TIP3 4064 3.388 -4.559 4.844 1.00 0.00 WT4 O ATOM 49580 H1 TIP3 4064 -0.744 -0.972 8.506 1.00 0.00 WT4 H ATOM 49581 H2 TIP3 4064 -20.144 -17.186 25.018 1.00 0.00 WT4 H ATOM 49582 OH2 TIP3 4072 3.453 -4.732 -0.391 1.00 0.00 WT4 O ATOM 49583 H1 TIP3 4072 -11.915 -2.588 -13.378 1.00 0.00 WT4 H ATOM 49584 H2 TIP3 4072 23.544 3.576 7.102 1.00 0.00 WT4 H ATOM 49585 OH2 TIP3 4074 -1.718 -7.267 -2.277 1.00 0.00 WT4 O ATOM 49586 H1 TIP3 4074 12.164 9.118 -6.632 1.00 0.00 WT4 H ATOM 49587 H2 TIP3 4074 -0.586 3.289 -3.716 1.00 0.00 WT4 H ATOM 49588 OH2 TIP3 4076 3.097 -1.014 -6.075 1.00 0.00 WT4 O ATOM 49589 H1 TIP3 4076 -14.522 5.700 -14.848 1.00 0.00 WT4 H ATOM 49590 H2 TIP3 4076 11.021 -6.795 12.747 1.00 0.00 WT4 H ATOM 49591 OH2 TIP3 4077 -0.341 1.401 5.386 1.00 0.00 WT4 O ATOM 49592 H1 TIP3 4077 -9.108 -10.372 35.883 1.00 0.00 WT4 H ATOM 49593 H2 TIP3 4077 11.205 28.854 22.077 1.00 0.00 WT4 H ATOM 49594 OH2 TIP3 4078 4.883 0.453 -3.224 1.00 0.00 WT4 O ATOM 49595 H1 TIP3 4078 2.998 -14.577 0.380 1.00 0.00 WT4 H ATOM 49596 H2 TIP3 4078 23.360 -30.948 8.127 1.00 0.00 WT4 H ATOM 49597 OH2 TIP3 4083 -0.867 -3.030 -4.813 1.00 0.00 WT4 O ATOM 49598 H1 TIP3 4083 -6.734 -4.044 -17.883 1.00 0.00 WT4 H ATOM 49599 H2 TIP3 4083 -7.990 -14.645 -34.362 1.00 0.00 WT4 H ATOM 49600 OH2 TIP3 4093 -8.252 6.041 5.350 1.00 0.00 WT4 O ATOM 49601 H1 TIP3 4093 2.884 -2.629 12.957 1.00 0.00 WT4 H ATOM 49602 H2 TIP3 4093 -12.750 -4.124 -2.874 1.00 0.00 WT4 H ATOM 49603 OH2 TIP3 4097 4.494 5.314 -7.522 1.00 0.00 WT4 O ATOM 49604 H1 TIP3 4097 7.667 19.343 1.134 1.00 0.00 WT4 H ATOM 49605 H2 TIP3 4097 0.194 13.590 -6.624 1.00 0.00 WT4 H ATOM 49606 OH2 TIP3 4098 0.067 2.932 -4.803 1.00 0.00 WT4 O ATOM 49607 H1 TIP3 4098 -7.424 2.397 -2.916 1.00 0.00 WT4 H ATOM 49608 H2 TIP3 4098 -3.841 0.237 -8.809 1.00 0.00 WT4 H ATOM 49609 OH2 TIP3 4099 0.459 0.757 6.502 1.00 0.00 WT4 O ATOM 49610 H1 TIP3 4099 -22.039 13.713 -11.417 1.00 0.00 WT4 H ATOM 49611 H2 TIP3 4099 5.358 2.736 -10.025 1.00 0.00 WT4 H ATOM 49612 OH2 TIP3 4101 4.497 -2.475 0.480 1.00 0.00 WT4 O ATOM 49613 H1 TIP3 4101 -6.665 8.577 -0.088 1.00 0.00 WT4 H ATOM 49614 H2 TIP3 4101 3.834 0.882 10.238 1.00 0.00 WT4 H ATOM 49615 OH2 TIP3 4104 0.614 3.146 -8.772 1.00 0.00 WT4 O ATOM 49616 H1 TIP3 4104 5.300 -7.185 -8.676 1.00 0.00 WT4 H ATOM 49617 H2 TIP3 4104 -1.390 7.978 -6.598 1.00 0.00 WT4 H ATOM 49618 OH2 TIP3 4116 0.625 -11.846 -0.764 1.00 0.00 WT4 O ATOM 49619 H1 TIP3 4116 18.922 -14.679 -9.293 1.00 0.00 WT4 H ATOM 49620 H2 TIP3 4116 -1.425 -16.518 0.843 1.00 0.00 WT4 H ATOM 49621 OH2 TIP3 4120 -3.394 -7.690 2.489 1.00 0.00 WT4 O ATOM 49622 H1 TIP3 4120 -17.452 -14.301 -26.948 1.00 0.00 WT4 H ATOM 49623 H2 TIP3 4120 -2.906 4.640 -7.501 1.00 0.00 WT4 H ATOM 49624 OH2 TIP3 4121 5.059 -0.830 -9.122 1.00 0.00 WT4 O ATOM 49625 H1 TIP3 4121 20.628 -11.458 -28.710 1.00 0.00 WT4 H ATOM 49626 H2 TIP3 4121 -9.202 -12.461 -11.443 1.00 0.00 WT4 H ATOM 49627 OH2 TIP3 4123 4.060 -4.910 0.068 1.00 0.00 WT4 O ATOM 49628 H1 TIP3 4123 -10.147 6.603 13.406 1.00 0.00 WT4 H ATOM 49629 H2 TIP3 4123 -4.464 9.639 10.216 1.00 0.00 WT4 H ATOM 49630 OH2 TIP3 4138 2.850 -0.676 7.094 1.00 0.00 WT4 O ATOM 49631 H1 TIP3 4138 -14.485 -11.330 1.057 1.00 0.00 WT4 H ATOM 49632 H2 TIP3 4138 11.141 -12.351 0.595 1.00 0.00 WT4 H ATOM 49633 OH2 TIP3 4139 7.164 -4.135 0.242 1.00 0.00 WT4 O ATOM 49634 H1 TIP3 4139 -5.223 -2.906 -4.659 1.00 0.00 WT4 H ATOM 49635 H2 TIP3 4139 26.059 -0.989 10.553 1.00 0.00 WT4 H ATOM 49636 OH2 TIP3 4141 -3.464 -1.689 7.649 1.00 0.00 WT4 O ATOM 49637 H1 TIP3 4141 -4.520 11.192 13.561 1.00 0.00 WT4 H ATOM 49638 H2 TIP3 4141 7.499 -2.172 29.413 1.00 0.00 WT4 H ATOM 49639 OH2 TIP3 4142 7.764 2.626 -0.476 1.00 0.00 WT4 O ATOM 49640 H1 TIP3 4142 22.644 -7.654 6.446 1.00 0.00 WT4 H ATOM 49641 H2 TIP3 4142 -2.713 -2.644 10.039 1.00 0.00 WT4 H ATOM 49642 OH2 TIP3 4143 10.003 -4.446 1.481 1.00 0.00 WT4 O ATOM 49643 H1 TIP3 4143 -13.384 2.178 -3.708 1.00 0.00 WT4 H ATOM 49644 H2 TIP3 4143 -1.023 -0.778 0.697 1.00 0.00 WT4 H ATOM 49645 OH2 TIP3 4157 -0.978 2.329 4.899 1.00 0.00 WT4 O ATOM 49646 H1 TIP3 4157 6.151 5.587 -4.969 1.00 0.00 WT4 H ATOM 49647 H2 TIP3 4157 16.323 -5.400 27.721 1.00 0.00 WT4 H ATOM 49648 OH2 TIP3 4161 0.069 2.204 -5.391 1.00 0.00 WT4 O ATOM 49649 H1 TIP3 4161 -1.451 5.932 -14.655 1.00 0.00 WT4 H ATOM 49650 H2 TIP3 4161 4.200 14.349 -18.889 1.00 0.00 WT4 H ATOM 49651 OH2 TIP3 4165 1.260 -1.731 -2.073 1.00 0.00 WT4 O ATOM 49652 H1 TIP3 4165 0.863 -7.168 3.499 1.00 0.00 WT4 H ATOM 49653 H2 TIP3 4165 15.455 -11.835 9.486 1.00 0.00 WT4 H ATOM 49654 OH2 TIP3 4179 0.565 -6.984 -2.863 1.00 0.00 WT4 O ATOM 49655 H1 TIP3 4179 3.979 -17.222 -10.429 1.00 0.00 WT4 H ATOM 49656 H2 TIP3 4179 -1.049 -13.249 11.278 1.00 0.00 WT4 H ATOM 49657 OH2 TIP3 4184 -8.608 -6.390 9.587 1.00 0.00 WT4 O ATOM 49658 H1 TIP3 4184 19.375 -2.795 -9.629 1.00 0.00 WT4 H ATOM 49659 H2 TIP3 4184 15.907 -3.116 15.704 1.00 0.00 WT4 H ATOM 49660 OH2 TIP3 4186 3.768 -3.654 12.271 1.00 0.00 WT4 O ATOM 49661 H1 TIP3 4186 -19.893 5.117 3.429 1.00 0.00 WT4 H ATOM 49662 H2 TIP3 4186 -13.257 3.938 5.476 1.00 0.00 WT4 H ATOM 49663 OH2 TIP3 4201 2.674 -3.508 -1.213 1.00 0.00 WT4 O ATOM 49664 H1 TIP3 4201 4.897 3.265 -14.775 1.00 0.00 WT4 H ATOM 49665 H2 TIP3 4201 3.302 -10.522 15.354 1.00 0.00 WT4 H ATOM 49666 OH2 TIP3 4202 8.275 -3.384 -2.323 1.00 0.00 WT4 O ATOM 49667 H1 TIP3 4202 -9.179 1.689 25.001 1.00 0.00 WT4 H ATOM 49668 H2 TIP3 4202 0.447 -2.347 18.520 1.00 0.00 WT4 H ATOM 49669 OH2 TIP3 4243 0.312 -2.234 1.065 1.00 0.00 WT4 O ATOM 49670 H1 TIP3 4243 -4.599 -16.336 6.234 1.00 0.00 WT4 H ATOM 49671 H2 TIP3 4243 -8.334 0.939 -11.545 1.00 0.00 WT4 H ATOM 49672 OH2 TIP3 4356 5.929 -4.499 -3.635 1.00 0.00 WT4 O ATOM 49673 H1 TIP3 4356 1.031 -9.426 13.311 1.00 0.00 WT4 H ATOM 49674 H2 TIP3 4356 8.966 18.421 -20.266 1.00 0.00 WT4 H ATOM 49675 OH2 TIP3 4374 -1.428 0.631 -1.177 1.00 0.00 WT4 O ATOM 49676 H1 TIP3 4374 10.460 17.929 -9.354 1.00 0.00 WT4 H ATOM 49677 H2 TIP3 4374 -26.413 -1.645 4.588 1.00 0.00 WT4 H ATOM 49678 OH2 TIP3 4394 5.138 7.239 3.445 1.00 0.00 WT4 O ATOM 49679 H1 TIP3 4394 -12.278 28.917 28.245 1.00 0.00 WT4 H ATOM 49680 H2 TIP3 4394 12.165 3.845 -6.232 1.00 0.00 WT4 H ATOM 49681 OH2 TIP3 4414 -3.630 4.457 2.051 1.00 0.00 WT4 O ATOM 49682 H1 TIP3 4414 -8.862 -1.442 -8.251 1.00 0.00 WT4 H ATOM 49683 H2 TIP3 4414 -2.966 0.167 1.397 1.00 0.00 WT4 H ATOM 49684 OH2 TIP3 4417 -5.916 -0.610 -0.850 1.00 0.00 WT4 O ATOM 49685 H1 TIP3 4417 7.373 -16.540 11.066 1.00 0.00 WT4 H ATOM 49686 H2 TIP3 4417 -8.783 12.706 -6.404 1.00 0.00 WT4 H ATOM 49687 OH2 TIP3 4419 -3.265 1.205 2.066 1.00 0.00 WT4 O ATOM 49688 H1 TIP3 4419 12.347 8.441 -2.991 1.00 0.00 WT4 H ATOM 49689 H2 TIP3 4419 5.372 -21.186 5.825 1.00 0.00 WT4 H ATOM 49690 OH2 TIP3 4432 1.123 -0.991 9.751 1.00 0.00 WT4 O ATOM 49691 H1 TIP3 4432 0.646 -22.157 23.603 1.00 0.00 WT4 H ATOM 49692 H2 TIP3 4432 -5.127 -3.135 17.581 1.00 0.00 WT4 H ATOM 49693 OH2 TIP3 4434 -3.470 -4.036 1.303 1.00 0.00 WT4 O ATOM 49694 H1 TIP3 4434 3.287 32.082 5.224 1.00 0.00 WT4 H ATOM 49695 H2 TIP3 4434 -12.201 -5.209 -33.426 1.00 0.00 WT4 H ATOM 49696 OH2 TIP3 4437 2.630 -6.097 -0.248 1.00 0.00 WT4 O ATOM 49697 H1 TIP3 4437 -9.004 -7.544 -0.749 1.00 0.00 WT4 H ATOM 49698 H2 TIP3 4437 11.763 -3.926 5.752 1.00 0.00 WT4 H ATOM 49699 OH2 TIP3 4438 6.060 2.244 -3.618 1.00 0.00 WT4 O ATOM 49700 H1 TIP3 4438 24.149 -21.147 13.468 1.00 0.00 WT4 H ATOM 49701 H2 TIP3 4438 -15.320 -5.754 6.458 1.00 0.00 WT4 H ATOM 49702 OH2 TIP3 4453 -2.151 6.353 3.408 1.00 0.00 WT4 O ATOM 49703 H1 TIP3 4453 -11.912 -2.731 -3.128 1.00 0.00 WT4 H ATOM 49704 H2 TIP3 4453 -30.452 2.947 16.431 1.00 0.00 WT4 H ATOM 49705 OH2 TIP3 4455 3.719 -6.593 6.835 1.00 0.00 WT4 O ATOM 49706 H1 TIP3 4455 2.154 -4.733 -11.248 1.00 0.00 WT4 H ATOM 49707 H2 TIP3 4455 2.846 11.948 25.076 1.00 0.00 WT4 H ATOM 49708 OH2 TIP3 4457 0.120 3.153 -4.243 1.00 0.00 WT4 O ATOM 49709 H1 TIP3 4457 -9.531 -0.645 -2.745 1.00 0.00 WT4 H ATOM 49710 H2 TIP3 4457 0.535 8.997 3.305 1.00 0.00 WT4 H ATOM 49711 OH2 TIP3 4461 -0.815 1.977 -1.950 1.00 0.00 WT4 O ATOM 49712 H1 TIP3 4461 5.660 0.464 2.992 1.00 0.00 WT4 H ATOM 49713 H2 TIP3 4461 -2.715 -6.158 -7.393 1.00 0.00 WT4 H ATOM 49714 OH2 TIP3 4473 3.540 0.162 1.803 1.00 0.00 WT4 O ATOM 49715 H1 TIP3 4473 0.760 8.850 9.928 1.00 0.00 WT4 H ATOM 49716 H2 TIP3 4473 10.053 -23.449 -9.685 1.00 0.00 WT4 H ATOM 49717 OH2 TIP3 4477 -1.483 1.410 0.383 1.00 0.00 WT4 O ATOM 49718 H1 TIP3 4477 -4.987 -1.201 -0.717 1.00 0.00 WT4 H ATOM 49719 H2 TIP3 4477 33.959 8.444 2.455 1.00 0.00 WT4 H ATOM 49720 OH2 TIP3 4478 3.099 1.637 -1.315 1.00 0.00 WT4 O ATOM 49721 H1 TIP3 4478 3.533 -4.843 6.030 1.00 0.00 WT4 H ATOM 49722 H2 TIP3 4478 7.983 3.971 5.952 1.00 0.00 WT4 H ATOM 49723 OH2 TIP3 4479 -0.169 0.216 -2.204 1.00 0.00 WT4 O ATOM 49724 H1 TIP3 4479 -9.314 -3.978 -8.917 1.00 0.00 WT4 H ATOM 49725 H2 TIP3 4479 3.233 8.494 0.179 1.00 0.00 WT4 H ATOM 49726 OH2 TIP3 4480 -1.469 5.125 4.713 1.00 0.00 WT4 O ATOM 49727 H1 TIP3 4480 -15.834 -2.271 -7.616 1.00 0.00 WT4 H ATOM 49728 H2 TIP3 4480 -28.583 -15.643 -5.635 1.00 0.00 WT4 H ATOM 49729 OH2 TIP3 4496 -7.522 0.798 -1.982 1.00 0.00 WT4 O ATOM 49730 H1 TIP3 4496 12.538 -27.665 3.211 1.00 0.00 WT4 H ATOM 49731 H2 TIP3 4496 14.010 -46.518 -22.819 1.00 0.00 WT4 H ATOM 49732 OH2 TIP3 4499 3.810 1.827 1.172 1.00 0.00 WT4 O ATOM 49733 H1 TIP3 4499 -6.724 3.014 3.047 1.00 0.00 WT4 H ATOM 49734 H2 TIP3 4499 14.770 5.058 -2.466 1.00 0.00 WT4 H ATOM 49735 OH2 TIP3 4500 5.067 -4.497 0.159 1.00 0.00 WT4 O ATOM 49736 H1 TIP3 4500 3.227 -11.588 -2.022 1.00 0.00 WT4 H ATOM 49737 H2 TIP3 4500 7.800 0.345 1.254 1.00 0.00 WT4 H ATOM 49738 OH2 TIP3 4501 2.941 -0.439 -2.542 1.00 0.00 WT4 O ATOM 49739 H1 TIP3 4501 5.135 -1.272 -2.524 1.00 0.00 WT4 H ATOM 49740 H2 TIP3 4501 1.292 -0.921 10.818 1.00 0.00 WT4 H ATOM 49741 OH2 TIP3 4513 -4.874 -3.311 1.721 1.00 0.00 WT4 O ATOM 49742 H1 TIP3 4513 -8.678 -18.981 -15.135 1.00 0.00 WT4 H ATOM 49743 H2 TIP3 4513 -7.805 8.656 10.189 1.00 0.00 WT4 H ATOM 49744 OH2 TIP3 4515 -1.847 -0.652 -0.095 1.00 0.00 WT4 O ATOM 49745 H1 TIP3 4515 -1.439 -0.277 11.195 1.00 0.00 WT4 H ATOM 49746 H2 TIP3 4515 13.214 7.883 -2.906 1.00 0.00 WT4 H ATOM 49747 OH2 TIP3 4516 5.066 1.852 -3.099 1.00 0.00 WT4 O ATOM 49748 H1 TIP3 4516 15.053 -23.779 15.349 1.00 0.00 WT4 H ATOM 49749 H2 TIP3 4516 -23.982 -5.613 -13.971 1.00 0.00 WT4 H ATOM 49750 OH2 TIP3 4517 2.791 -0.623 -2.846 1.00 0.00 WT4 O ATOM 49751 H1 TIP3 4517 -18.285 -2.403 -9.296 1.00 0.00 WT4 H ATOM 49752 H2 TIP3 4517 7.805 -9.929 -5.575 1.00 0.00 WT4 H ATOM 49753 OH2 TIP3 4518 4.704 -2.007 -6.432 1.00 0.00 WT4 O ATOM 49754 H1 TIP3 4518 0.927 -5.370 -14.110 1.00 0.00 WT4 H ATOM 49755 H2 TIP3 4518 19.129 -1.161 1.741 1.00 0.00 WT4 H ATOM 49756 OH2 TIP3 4519 -0.959 5.092 2.424 1.00 0.00 WT4 O ATOM 49757 H1 TIP3 4519 -1.781 1.759 3.295 1.00 0.00 WT4 H ATOM 49758 H2 TIP3 4519 -16.163 -7.218 12.363 1.00 0.00 WT4 H ATOM 49759 OH2 TIP3 4523 1.475 8.620 -4.610 1.00 0.00 WT4 O ATOM 49760 H1 TIP3 4523 6.815 12.139 -0.932 1.00 0.00 WT4 H ATOM 49761 H2 TIP3 4523 11.990 -5.966 -13.972 1.00 0.00 WT4 H ATOM 49762 OH2 TIP3 4524 1.741 -1.317 1.778 1.00 0.00 WT4 O ATOM 49763 H1 TIP3 4524 -1.112 -0.354 14.936 1.00 0.00 WT4 H ATOM 49764 H2 TIP3 4524 -6.299 3.335 -5.585 1.00 0.00 WT4 H ATOM 49765 OH2 TIP3 4536 5.292 1.443 -1.952 1.00 0.00 WT4 O ATOM 49766 H1 TIP3 4536 -12.167 7.339 -1.171 1.00 0.00 WT4 H ATOM 49767 H2 TIP3 4536 2.071 -13.377 -23.109 1.00 0.00 WT4 H ATOM 49768 OH2 TIP3 4537 -2.969 -5.052 2.477 1.00 0.00 WT4 O ATOM 49769 H1 TIP3 4537 12.277 15.816 -11.933 1.00 0.00 WT4 H ATOM 49770 H2 TIP3 4537 -2.360 5.289 7.460 1.00 0.00 WT4 H ATOM 49771 OH2 TIP3 4538 -3.974 -5.045 3.494 1.00 0.00 WT4 O ATOM 49772 H1 TIP3 4538 11.974 3.445 -4.525 1.00 0.00 WT4 H ATOM 49773 H2 TIP3 4538 -2.975 3.319 2.708 1.00 0.00 WT4 H ATOM 49774 OH2 TIP3 4542 2.162 1.503 9.081 1.00 0.00 WT4 O ATOM 49775 H1 TIP3 4542 6.149 21.320 9.030 1.00 0.00 WT4 H ATOM 49776 H2 TIP3 4542 -12.622 -3.394 -5.152 1.00 0.00 WT4 H ATOM 49777 OH2 TIP3 4544 -2.930 1.535 2.448 1.00 0.00 WT4 O ATOM 49778 H1 TIP3 4544 24.953 15.788 -19.472 1.00 0.00 WT4 H ATOM 49779 H2 TIP3 4544 4.005 -30.636 0.314 1.00 0.00 WT4 H ATOM 49780 OH2 TIP3 4553 -4.663 1.805 2.866 1.00 0.00 WT4 O ATOM 49781 H1 TIP3 4553 1.029 -25.154 -8.608 1.00 0.00 WT4 H ATOM 49782 H2 TIP3 4553 8.194 12.278 29.074 1.00 0.00 WT4 H ATOM 49783 OH2 TIP3 4558 0.455 -1.460 -1.604 1.00 0.00 WT4 O ATOM 49784 H1 TIP3 4558 11.869 0.422 -28.902 1.00 0.00 WT4 H ATOM 49785 H2 TIP3 4558 12.872 -17.695 -7.099 1.00 0.00 WT4 H ATOM 49786 OH2 TIP3 4559 0.132 0.415 7.618 1.00 0.00 WT4 O ATOM 49787 H1 TIP3 4559 16.043 -0.986 16.393 1.00 0.00 WT4 H ATOM 49788 H2 TIP3 4559 10.524 17.097 -1.278 1.00 0.00 WT4 H ATOM 49789 OH2 TIP3 4560 6.486 6.353 -4.589 1.00 0.00 WT4 O ATOM 49790 H1 TIP3 4560 3.173 0.329 -12.002 1.00 0.00 WT4 H ATOM 49791 H2 TIP3 4560 4.373 0.274 7.309 1.00 0.00 WT4 H ATOM 49792 OH2 TIP3 4561 1.528 2.707 -3.816 1.00 0.00 WT4 O ATOM 49793 H1 TIP3 4561 -7.006 0.403 3.318 1.00 0.00 WT4 H ATOM 49794 H2 TIP3 4561 13.178 -3.416 -13.628 1.00 0.00 WT4 H ATOM 49795 OH2 TIP3 4562 2.699 -0.046 -2.740 1.00 0.00 WT4 O ATOM 49796 H1 TIP3 4562 -12.899 -6.830 19.390 1.00 0.00 WT4 H ATOM 49797 H2 TIP3 4562 0.711 16.803 -18.909 1.00 0.00 WT4 H ATOM 49798 OH2 TIP3 4569 2.217 -0.524 1.912 1.00 0.00 WT4 O ATOM 49799 H1 TIP3 4569 2.685 5.260 5.235 1.00 0.00 WT4 H ATOM 49800 H2 TIP3 4569 11.156 3.591 9.524 1.00 0.00 WT4 H ATOM 49801 OH2 TIP3 4578 -2.836 2.126 -2.393 1.00 0.00 WT4 O ATOM 49802 H1 TIP3 4578 20.616 -25.817 -8.939 1.00 0.00 WT4 H ATOM 49803 H2 TIP3 4578 -6.737 -8.642 -7.921 1.00 0.00 WT4 H ATOM 49804 OH2 TIP3 4581 3.362 -0.740 2.575 1.00 0.00 WT4 O ATOM 49805 H1 TIP3 4581 5.329 16.098 5.903 1.00 0.00 WT4 H ATOM 49806 H2 TIP3 4581 -2.668 -4.099 -11.131 1.00 0.00 WT4 H ATOM 49807 OH2 TIP3 4582 -7.369 2.213 7.473 1.00 0.00 WT4 O ATOM 49808 H1 TIP3 4582 -9.984 -8.976 -7.730 1.00 0.00 WT4 H ATOM 49809 H2 TIP3 4582 -3.514 19.541 2.158 1.00 0.00 WT4 H ATOM 49810 OH2 TIP3 4586 2.825 -4.100 -3.828 1.00 0.00 WT4 O ATOM 49811 H1 TIP3 4586 -1.178 -8.346 -5.862 1.00 0.00 WT4 H ATOM 49812 H2 TIP3 4586 3.532 -5.003 2.599 1.00 0.00 WT4 H ATOM 49813 OH2 TIP3 4599 -7.846 5.818 2.092 1.00 0.00 WT4 O ATOM 49814 H1 TIP3 4599 -4.968 10.364 -0.028 1.00 0.00 WT4 H ATOM 49815 H2 TIP3 4599 -2.227 -12.851 -22.036 1.00 0.00 WT4 H ATOM 49816 OH2 TIP3 4600 2.347 0.043 12.354 1.00 0.00 WT4 O ATOM 49817 H1 TIP3 4600 -26.659 -5.974 3.360 1.00 0.00 WT4 H ATOM 49818 H2 TIP3 4600 13.885 -16.609 0.918 1.00 0.00 WT4 H ATOM 49819 OH2 TIP3 4624 0.458 0.852 -2.003 1.00 0.00 WT4 O ATOM 49820 H1 TIP3 4624 19.687 4.182 19.756 1.00 0.00 WT4 H ATOM 49821 H2 TIP3 4624 -4.355 8.246 14.932 1.00 0.00 WT4 H ATOM 49822 OH2 TIP3 4625 2.306 -0.715 0.477 1.00 0.00 WT4 O ATOM 49823 H1 TIP3 4625 3.693 25.702 -16.630 1.00 0.00 WT4 H ATOM 49824 H2 TIP3 4625 -3.664 12.669 11.219 1.00 0.00 WT4 H ATOM 49825 OH2 TIP3 4628 0.275 -2.478 0.691 1.00 0.00 WT4 O ATOM 49826 H1 TIP3 4628 -0.587 -13.216 11.004 1.00 0.00 WT4 H ATOM 49827 H2 TIP3 4628 5.702 -4.114 -8.453 1.00 0.00 WT4 H ATOM 49828 OH2 TIP3 4644 -6.027 1.679 6.022 1.00 0.00 WT4 O ATOM 49829 H1 TIP3 4644 1.868 -12.868 -3.088 1.00 0.00 WT4 H ATOM 49830 H2 TIP3 4644 -7.778 3.995 7.608 1.00 0.00 WT4 H ATOM 49831 OH2 TIP3 4663 7.558 -1.798 4.290 1.00 0.00 WT4 O ATOM 49832 H1 TIP3 4663 9.963 13.915 22.643 1.00 0.00 WT4 H ATOM 49833 H2 TIP3 4663 16.393 -10.809 28.773 1.00 0.00 WT4 H ATOM 49834 OH2 TIP3 4725 -3.723 -0.877 2.891 1.00 0.00 WT4 O ATOM 49835 H1 TIP3 4725 -26.790 7.024 15.644 1.00 0.00 WT4 H ATOM 49836 H2 TIP3 4725 13.021 -1.389 9.223 1.00 0.00 WT4 H ATOM 49837 OH2 TIP3 4808 -0.213 1.638 1.985 1.00 0.00 WT4 O ATOM 49838 H1 TIP3 4808 -8.697 -7.265 -4.862 1.00 0.00 WT4 H ATOM 49839 H2 TIP3 4808 -6.285 7.940 12.279 1.00 0.00 WT4 H ATOM 49840 OH2 TIP3 4834 -4.636 -3.873 -5.964 1.00 0.00 WT4 O ATOM 49841 H1 TIP3 4834 -11.284 3.277 5.073 1.00 0.00 WT4 H ATOM 49842 H2 TIP3 4834 -5.821 -2.573 -5.306 1.00 0.00 WT4 H ATOM 49843 OH2 TIP3 4836 -0.833 -12.313 1.954 1.00 0.00 WT4 O ATOM 49844 H1 TIP3 4836 4.259 -15.939 -25.776 1.00 0.00 WT4 H ATOM 49845 H2 TIP3 4836 1.548 -2.805 -0.816 1.00 0.00 WT4 H ATOM 49846 OH2 TIP3 4849 -8.583 9.089 4.047 1.00 0.00 WT4 O ATOM 49847 H1 TIP3 4849 -1.011 11.238 5.870 1.00 0.00 WT4 H ATOM 49848 H2 TIP3 4849 -9.626 4.972 -0.209 1.00 0.00 WT4 H ATOM 49849 OH2 TIP3 4851 -4.463 0.650 -2.707 1.00 0.00 WT4 O ATOM 49850 H1 TIP3 4851 9.155 1.603 -6.015 1.00 0.00 WT4 H ATOM 49851 H2 TIP3 4851 3.790 -16.126 -12.376 1.00 0.00 WT4 H ATOM 49852 OH2 TIP3 4855 -0.282 3.048 -0.059 1.00 0.00 WT4 O ATOM 49853 H1 TIP3 4855 6.895 -2.109 5.964 1.00 0.00 WT4 H ATOM 49854 H2 TIP3 4855 -9.624 -16.944 13.167 1.00 0.00 WT4 H ATOM 49855 OH2 TIP3 4857 0.589 -1.464 8.157 1.00 0.00 WT4 O ATOM 49856 H1 TIP3 4857 0.978 -11.880 21.174 1.00 0.00 WT4 H ATOM 49857 H2 TIP3 4857 3.065 19.256 -11.611 1.00 0.00 WT4 H ATOM 49858 OH2 TIP3 4863 -1.607 -5.733 3.535 1.00 0.00 WT4 O ATOM 49859 H1 TIP3 4863 -8.449 4.066 -1.768 1.00 0.00 WT4 H ATOM 49860 H2 TIP3 4863 13.864 -6.580 0.603 1.00 0.00 WT4 H ATOM 49861 OH2 TIP3 4872 0.941 -3.512 4.902 1.00 0.00 WT4 O ATOM 49862 H1 TIP3 4872 -12.603 -12.624 3.629 1.00 0.00 WT4 H ATOM 49863 H2 TIP3 4872 32.326 4.535 15.922 1.00 0.00 WT4 H ATOM 49864 OH2 TIP3 4875 1.687 2.694 -4.413 1.00 0.00 WT4 O ATOM 49865 H1 TIP3 4875 -20.413 -0.741 8.679 1.00 0.00 WT4 H ATOM 49866 H2 TIP3 4875 7.381 -6.179 -5.028 1.00 0.00 WT4 H ATOM 49867 OH2 TIP3 4877 -5.668 3.110 -1.129 1.00 0.00 WT4 O ATOM 49868 H1 TIP3 4877 0.308 0.159 8.281 1.00 0.00 WT4 H ATOM 49869 H2 TIP3 4877 -2.926 45.588 28.375 1.00 0.00 WT4 H ATOM 49870 OH2 TIP3 4893 1.465 0.239 6.828 1.00 0.00 WT4 O ATOM 49871 H1 TIP3 4893 9.320 -0.021 2.844 1.00 0.00 WT4 H ATOM 49872 H2 TIP3 4893 4.549 4.099 6.661 1.00 0.00 WT4 H ATOM 49873 OH2 TIP3 4896 -0.683 -0.981 -0.984 1.00 0.00 WT4 O ATOM 49874 H1 TIP3 4896 -10.284 -12.864 1.062 1.00 0.00 WT4 H ATOM 49875 H2 TIP3 4896 8.702 7.302 -6.991 1.00 0.00 WT4 H ATOM 49876 OH2 TIP3 4897 -0.380 -2.017 -0.596 1.00 0.00 WT4 O ATOM 49877 H1 TIP3 4897 3.138 22.340 1.250 1.00 0.00 WT4 H ATOM 49878 H2 TIP3 4897 10.486 -11.998 18.959 1.00 0.00 WT4 H ATOM 49879 OH2 TIP3 4898 -0.549 -3.498 -0.032 1.00 0.00 WT4 O ATOM 49880 H1 TIP3 4898 -2.005 -8.155 2.084 1.00 0.00 WT4 H ATOM 49881 H2 TIP3 4898 -4.501 3.955 -2.474 1.00 0.00 WT4 H ATOM 49882 OH2 TIP3 4899 2.666 -0.331 -5.489 1.00 0.00 WT4 O ATOM 49883 H1 TIP3 4899 13.505 11.479 5.098 1.00 0.00 WT4 H ATOM 49884 H2 TIP3 4899 -10.009 -21.510 -17.086 1.00 0.00 WT4 H ATOM 49885 OH2 TIP3 4914 -1.552 -1.960 -1.108 1.00 0.00 WT4 O ATOM 49886 H1 TIP3 4914 13.972 8.252 22.516 1.00 0.00 WT4 H ATOM 49887 H2 TIP3 4914 0.671 2.072 -36.297 1.00 0.00 WT4 H ATOM 49888 OH2 TIP3 4915 1.306 -0.505 -4.748 1.00 0.00 WT4 O ATOM 49889 H1 TIP3 4915 -2.744 -3.758 0.138 1.00 0.00 WT4 H ATOM 49890 H2 TIP3 4915 6.189 -19.228 -4.531 1.00 0.00 WT4 H ATOM 49891 OH2 TIP3 4916 -8.946 8.574 -3.007 1.00 0.00 WT4 O ATOM 49892 H1 TIP3 4916 -22.480 -4.790 1.279 1.00 0.00 WT4 H ATOM 49893 H2 TIP3 4916 -1.706 11.963 -1.093 1.00 0.00 WT4 H ATOM 49894 OH2 TIP3 4919 3.460 -10.217 7.537 1.00 0.00 WT4 O ATOM 49895 H1 TIP3 4919 -15.741 27.680 8.925 1.00 0.00 WT4 H ATOM 49896 H2 TIP3 4919 -12.547 -1.221 -8.211 1.00 0.00 WT4 H ATOM 49897 OH2 TIP3 4922 3.425 -5.836 3.240 1.00 0.00 WT4 O ATOM 49898 H1 TIP3 4922 15.672 10.011 22.779 1.00 0.00 WT4 H ATOM 49899 H2 TIP3 4922 0.228 -10.961 -2.063 1.00 0.00 WT4 H ATOM 49900 OH2 TIP3 4924 0.902 0.948 -0.779 1.00 0.00 WT4 O ATOM 49901 H1 TIP3 4924 22.131 -13.233 -45.860 1.00 0.00 WT4 H ATOM 49902 H2 TIP3 4924 7.091 9.965 -6.012 1.00 0.00 WT4 H ATOM 49903 OH2 TIP3 4934 4.944 1.148 5.286 1.00 0.00 WT4 O ATOM 49904 H1 TIP3 4934 16.309 15.465 6.133 1.00 0.00 WT4 H ATOM 49905 H2 TIP3 4934 2.601 1.354 16.404 1.00 0.00 WT4 H ATOM 49906 OH2 TIP3 4935 -2.178 5.472 4.942 1.00 0.00 WT4 O ATOM 49907 H1 TIP3 4935 8.397 4.275 7.180 1.00 0.00 WT4 H ATOM 49908 H2 TIP3 4935 1.679 -1.932 17.606 1.00 0.00 WT4 H ATOM 49909 OH2 TIP3 4936 -7.735 4.142 -4.281 1.00 0.00 WT4 O ATOM 49910 H1 TIP3 4936 -15.492 -2.097 1.350 1.00 0.00 WT4 H ATOM 49911 H2 TIP3 4936 -30.182 -14.037 8.586 1.00 0.00 WT4 H ATOM 49912 OH2 TIP3 4939 9.685 8.925 -5.586 1.00 0.00 WT4 O ATOM 49913 H1 TIP3 4939 -15.739 13.201 8.880 1.00 0.00 WT4 H ATOM 49914 H2 TIP3 4939 15.483 14.783 -18.134 1.00 0.00 WT4 H ATOM 49915 OH2 TIP3 4942 5.185 -3.553 -1.130 1.00 0.00 WT4 O ATOM 49916 H1 TIP3 4942 5.773 0.136 -21.748 1.00 0.00 WT4 H ATOM 49917 H2 TIP3 4942 12.891 4.491 -0.353 1.00 0.00 WT4 H ATOM 49918 OH2 TIP3 4956 -3.930 -0.887 1.123 1.00 0.00 WT4 O ATOM 49919 H1 TIP3 4956 -15.575 2.466 11.905 1.00 0.00 WT4 H ATOM 49920 H2 TIP3 4956 8.896 -5.862 -13.621 1.00 0.00 WT4 H ATOM 49921 OH2 TIP3 4957 6.560 -3.513 -1.500 1.00 0.00 WT4 O ATOM 49922 H1 TIP3 4957 -2.814 -9.767 -7.843 1.00 0.00 WT4 H ATOM 49923 H2 TIP3 4957 -5.974 19.544 -7.868 1.00 0.00 WT4 H ATOM 49924 OH2 TIP3 4962 6.139 2.143 5.310 1.00 0.00 WT4 O ATOM 49925 H1 TIP3 4962 -25.954 6.221 -9.808 1.00 0.00 WT4 H ATOM 49926 H2 TIP3 4962 -3.007 1.471 9.263 1.00 0.00 WT4 H ATOM 49927 OH2 TIP3 4963 -1.579 4.826 1.074 1.00 0.00 WT4 O ATOM 49928 H1 TIP3 4963 -8.991 -6.830 -16.549 1.00 0.00 WT4 H ATOM 49929 H2 TIP3 4963 16.492 2.464 -16.969 1.00 0.00 WT4 H ATOM 49930 OH2 TIP3 4965 2.309 -6.445 2.652 1.00 0.00 WT4 O ATOM 49931 H1 TIP3 4965 5.023 4.355 8.797 1.00 0.00 WT4 H ATOM 49932 H2 TIP3 4965 0.144 -8.915 6.257 1.00 0.00 WT4 H ATOM 49933 OH2 TIP3 4978 -8.640 7.578 3.015 1.00 0.00 WT4 O ATOM 49934 H1 TIP3 4978 1.319 5.641 -2.396 1.00 0.00 WT4 H ATOM 49935 H2 TIP3 4978 -1.391 5.383 21.737 1.00 0.00 WT4 H ATOM 49936 OH2 TIP3 4980 -9.900 3.229 3.015 1.00 0.00 WT4 O ATOM 49937 H1 TIP3 4980 1.786 4.780 0.194 1.00 0.00 WT4 H ATOM 49938 H2 TIP3 4980 24.365 9.893 -3.043 1.00 0.00 WT4 H ATOM 49939 OH2 TIP3 4981 3.666 -8.080 6.167 1.00 0.00 WT4 O ATOM 49940 H1 TIP3 4981 -20.796 -14.161 9.218 1.00 0.00 WT4 H ATOM 49941 H2 TIP3 4981 -9.983 -9.525 -4.989 1.00 0.00 WT4 H ATOM 49942 OH2 TIP3 4982 -2.864 2.441 -6.037 1.00 0.00 WT4 O ATOM 49943 H1 TIP3 4982 -6.167 16.344 -1.031 1.00 0.00 WT4 H ATOM 49944 H2 TIP3 4982 26.568 -4.463 -1.657 1.00 0.00 WT4 H ATOM 49945 OH2 TIP3 4983 -2.893 1.645 -0.069 1.00 0.00 WT4 O ATOM 49946 H1 TIP3 4983 -18.099 2.115 1.551 1.00 0.00 WT4 H ATOM 49947 H2 TIP3 4983 14.152 -5.696 17.694 1.00 0.00 WT4 H ATOM 49948 OH2 TIP3 4985 -1.773 3.791 3.542 1.00 0.00 WT4 O ATOM 49949 H1 TIP3 4985 1.394 -12.252 19.379 1.00 0.00 WT4 H ATOM 49950 H2 TIP3 4985 23.998 7.410 -4.506 1.00 0.00 WT4 H ATOM 49951 OH2 TIP3 4996 8.232 2.315 1.759 1.00 0.00 WT4 O ATOM 49952 H1 TIP3 4996 -14.835 -14.559 -2.016 1.00 0.00 WT4 H ATOM 49953 H2 TIP3 4996 0.568 26.475 -12.954 1.00 0.00 WT4 H ATOM 49954 OH2 TIP3 4998 2.253 -1.427 2.272 1.00 0.00 WT4 O ATOM 49955 H1 TIP3 4998 -10.611 -9.696 8.192 1.00 0.00 WT4 H ATOM 49956 H2 TIP3 4998 18.986 -5.442 -4.609 1.00 0.00 WT4 H ATOM 49957 OH2 TIP3 4999 5.436 0.586 -4.598 1.00 0.00 WT4 O ATOM 49958 H1 TIP3 4999 7.175 0.617 -6.648 1.00 0.00 WT4 H ATOM 49959 H2 TIP3 4999 5.558 2.812 -5.261 1.00 0.00 WT4 H ATOM 49960 OH2 TIP3 5000 2.534 -4.455 -5.060 1.00 0.00 WT4 O ATOM 49961 H1 TIP3 5000 14.470 1.407 -9.348 1.00 0.00 WT4 H ATOM 49962 H2 TIP3 5000 12.626 3.742 -0.910 1.00 0.00 WT4 H ATOM 49963 OH2 TIP3 5001 6.017 -1.904 -3.812 1.00 0.00 WT4 O ATOM 49964 H1 TIP3 5001 -4.355 18.952 2.313 1.00 0.00 WT4 H ATOM 49965 H2 TIP3 5001 -7.167 -12.310 -18.665 1.00 0.00 WT4 H ATOM 49966 OH2 TIP3 5002 4.347 -0.282 3.633 1.00 0.00 WT4 O ATOM 49967 H1 TIP3 5002 25.881 -23.382 31.678 1.00 0.00 WT4 H ATOM 49968 H2 TIP3 5002 -6.118 -0.408 -7.965 1.00 0.00 WT4 H ATOM 49969 OH2 TIP3 5004 2.084 -3.960 5.411 1.00 0.00 WT4 O ATOM 49970 H1 TIP3 5004 0.290 2.300 19.550 1.00 0.00 WT4 H ATOM 49971 H2 TIP3 5004 10.922 -11.846 8.264 1.00 0.00 WT4 H ATOM 49972 OH2 TIP3 5005 0.420 3.426 3.826 1.00 0.00 WT4 O ATOM 49973 H1 TIP3 5005 15.343 5.662 21.767 1.00 0.00 WT4 H ATOM 49974 H2 TIP3 5005 3.894 4.678 4.258 1.00 0.00 WT4 H ATOM 49975 OH2 TIP3 5019 -0.289 -6.405 -1.642 1.00 0.00 WT4 O ATOM 49976 H1 TIP3 5019 -13.488 -3.116 -14.953 1.00 0.00 WT4 H ATOM 49977 H2 TIP3 5019 -3.844 -6.024 15.106 1.00 0.00 WT4 H ATOM 49978 OH2 TIP3 5021 1.945 2.269 4.641 1.00 0.00 WT4 O ATOM 49979 H1 TIP3 5021 6.445 28.355 19.479 1.00 0.00 WT4 H ATOM 49980 H2 TIP3 5021 -14.213 13.093 -6.063 1.00 0.00 WT4 H ATOM 49981 OH2 TIP3 5023 10.541 3.585 -0.832 1.00 0.00 WT4 O ATOM 49982 H1 TIP3 5023 6.305 3.132 6.119 1.00 0.00 WT4 H ATOM 49983 H2 TIP3 5023 6.104 21.269 15.333 1.00 0.00 WT4 H ATOM 49984 OH2 TIP3 5025 -5.979 -1.231 0.141 1.00 0.00 WT4 O ATOM 49985 H1 TIP3 5025 -1.982 -5.404 6.016 1.00 0.00 WT4 H ATOM 49986 H2 TIP3 5025 13.432 7.616 -25.685 1.00 0.00 WT4 H ATOM 49987 OH2 TIP3 5043 -1.400 -3.081 -4.879 1.00 0.00 WT4 O ATOM 49988 H1 TIP3 5043 13.894 -0.266 -29.703 1.00 0.00 WT4 H ATOM 49989 H2 TIP3 5043 16.010 -5.134 -6.312 1.00 0.00 WT4 H ATOM 49990 OH2 TIP3 5044 0.745 6.524 -0.634 1.00 0.00 WT4 O ATOM 49991 H1 TIP3 5044 -8.256 2.575 2.558 1.00 0.00 WT4 H ATOM 49992 H2 TIP3 5044 -1.316 16.062 -11.715 1.00 0.00 WT4 H ATOM 49993 OH2 TIP3 5049 5.992 4.156 -8.489 1.00 0.00 WT4 O ATOM 49994 H1 TIP3 5049 15.792 15.380 -18.063 1.00 0.00 WT4 H ATOM 49995 H2 TIP3 5049 -1.737 -29.876 -20.398 1.00 0.00 WT4 H ATOM 49996 OH2 TIP3 5060 4.228 8.159 -2.119 1.00 0.00 WT4 O ATOM 49997 H1 TIP3 5060 1.235 15.766 -3.800 1.00 0.00 WT4 H ATOM 49998 H2 TIP3 5060 0.955 20.228 -2.100 1.00 0.00 WT4 H ATOM 49999 OH2 TIP3 5061 -1.668 -1.712 -9.861 1.00 0.00 WT4 O ATOM 50000 H1 TIP3 5061 2.527 -12.287 -9.942 1.00 0.00 WT4 H ATOM 50001 H2 TIP3 5061 5.625 -13.670 -6.383 1.00 0.00 WT4 H ATOM 50002 OH2 TIP3 5063 4.075 -5.048 -1.717 1.00 0.00 WT4 O ATOM 50003 H1 TIP3 5063 1.337 -8.950 2.031 1.00 0.00 WT4 H ATOM 50004 H2 TIP3 5063 6.402 -2.072 -5.995 1.00 0.00 WT4 H ATOM 50005 OH2 TIP3 5085 3.199 6.526 0.766 1.00 0.00 WT4 O ATOM 50006 H1 TIP3 5085 -7.328 25.805 -10.007 1.00 0.00 WT4 H ATOM 50007 H2 TIP3 5085 3.599 5.679 1.129 1.00 0.00 WT4 H ATOM 50008 OH2 TIP3 5088 1.462 0.217 -2.662 1.00 0.00 WT4 O ATOM 50009 H1 TIP3 5088 0.340 -7.408 -12.478 1.00 0.00 WT4 H ATOM 50010 H2 TIP3 5088 11.197 7.674 19.610 1.00 0.00 WT4 H ATOM 50011 OH2 TIP3 5133 -3.125 -5.598 -3.362 1.00 0.00 WT4 O ATOM 50012 H1 TIP3 5133 6.135 -8.611 -0.225 1.00 0.00 WT4 H ATOM 50013 H2 TIP3 5133 -4.181 -3.369 -9.731 1.00 0.00 WT4 H ATOM 50014 OH2 TIP3 5134 -1.568 1.432 4.588 1.00 0.00 WT4 O ATOM 50015 H1 TIP3 5134 18.210 12.625 3.055 1.00 0.00 WT4 H ATOM 50016 H2 TIP3 5134 -10.504 -3.068 4.611 1.00 0.00 WT4 H ATOM 50017 OH2 TIP3 5164 1.429 -0.395 -1.496 1.00 0.00 WT4 O ATOM 50018 H1 TIP3 5164 -1.352 5.482 -14.077 1.00 0.00 WT4 H ATOM 50019 H2 TIP3 5164 -6.661 1.288 4.215 1.00 0.00 WT4 H ATOM 50020 OH2 TIP3 5166 2.268 0.390 1.778 1.00 0.00 WT4 O ATOM 50021 H1 TIP3 5166 -19.075 -4.468 11.178 1.00 0.00 WT4 H ATOM 50022 H2 TIP3 5166 -3.423 -2.314 22.510 1.00 0.00 WT4 H ATOM 50023 OH2 TIP3 5193 -6.210 -5.177 -1.867 1.00 0.00 WT4 O ATOM 50024 H1 TIP3 5193 -11.722 -10.476 -15.381 1.00 0.00 WT4 H ATOM 50025 H2 TIP3 5193 -4.184 -1.195 5.559 1.00 0.00 WT4 H ATOM 50026 OH2 TIP3 5234 -4.192 -4.717 3.274 1.00 0.00 WT4 O ATOM 50027 H1 TIP3 5234 24.247 3.869 21.488 1.00 0.00 WT4 H ATOM 50028 H2 TIP3 5234 4.024 -5.373 12.879 1.00 0.00 WT4 H ATOM 50029 OH2 TIP3 5251 3.490 -0.208 0.027 1.00 0.00 WT4 O ATOM 50030 H1 TIP3 5251 8.110 -15.020 -7.864 1.00 0.00 WT4 H ATOM 50031 H2 TIP3 5251 -0.713 -7.914 8.583 1.00 0.00 WT4 H ATOM 50032 OH2 TIP3 5259 -2.847 1.132 1.328 1.00 0.00 WT4 O ATOM 50033 H1 TIP3 5259 -2.506 1.572 -13.453 1.00 0.00 WT4 H ATOM 50034 H2 TIP3 5259 -15.986 2.927 11.507 1.00 0.00 WT4 H ATOM 50035 OH2 TIP3 5260 -0.287 2.869 -3.473 1.00 0.00 WT4 O ATOM 50036 H1 TIP3 5260 -3.417 -20.230 -2.631 1.00 0.00 WT4 H ATOM 50037 H2 TIP3 5260 -7.497 -9.847 -20.132 1.00 0.00 WT4 H ATOM 50038 OH2 TIP3 5271 1.812 -0.710 3.875 1.00 0.00 WT4 O ATOM 50039 H1 TIP3 5271 13.789 1.046 12.081 1.00 0.00 WT4 H ATOM 50040 H2 TIP3 5271 23.660 -16.601 4.998 1.00 0.00 WT4 H ATOM 50041 OH2 TIP3 5272 -2.222 0.849 1.160 1.00 0.00 WT4 O ATOM 50042 H1 TIP3 5272 -20.232 15.624 7.021 1.00 0.00 WT4 H ATOM 50043 H2 TIP3 5272 4.286 4.329 -3.425 1.00 0.00 WT4 H ATOM 50044 OH2 TIP3 5296 3.230 -2.447 -0.397 1.00 0.00 WT4 O ATOM 50045 H1 TIP3 5296 10.783 -18.049 15.088 1.00 0.00 WT4 H ATOM 50046 H2 TIP3 5296 21.283 -24.424 8.588 1.00 0.00 WT4 H ATOM 50047 OH2 TIP3 5304 -2.220 -0.584 3.487 1.00 0.00 WT4 O ATOM 50048 H1 TIP3 5304 8.764 8.921 8.495 1.00 0.00 WT4 H ATOM 50049 H2 TIP3 5304 -8.045 -11.692 3.996 1.00 0.00 WT4 H ATOM 50050 OH2 TIP3 5317 -0.146 -3.620 2.844 1.00 0.00 WT4 O ATOM 50051 H1 TIP3 5317 26.725 -12.263 8.693 1.00 0.00 WT4 H ATOM 50052 H2 TIP3 5317 -7.649 -23.374 17.416 1.00 0.00 WT4 H ATOM 50053 OH2 TIP3 5318 -5.459 -1.060 -5.712 1.00 0.00 WT4 O ATOM 50054 H1 TIP3 5318 -7.180 -2.697 -13.852 1.00 0.00 WT4 H ATOM 50055 H2 TIP3 5318 0.656 2.167 13.280 1.00 0.00 WT4 H ATOM 50056 OH2 TIP3 5319 -7.374 -3.386 -1.348 1.00 0.00 WT4 O ATOM 50057 H1 TIP3 5319 2.537 1.645 3.661 1.00 0.00 WT4 H ATOM 50058 H2 TIP3 5319 -14.696 6.777 -3.293 1.00 0.00 WT4 H ATOM 50059 OH2 TIP3 5320 6.765 1.233 -5.820 1.00 0.00 WT4 O ATOM 50060 H1 TIP3 5320 9.273 13.670 -15.826 1.00 0.00 WT4 H ATOM 50061 H2 TIP3 5320 7.541 8.519 -0.946 1.00 0.00 WT4 H ATOM 50062 OH2 TIP3 5332 3.296 -2.225 1.234 1.00 0.00 WT4 O ATOM 50063 H1 TIP3 5332 4.159 -9.390 -5.437 1.00 0.00 WT4 H ATOM 50064 H2 TIP3 5332 3.449 -2.753 0.887 1.00 0.00 WT4 H ATOM 50065 OH2 TIP3 5341 5.875 10.230 -0.358 1.00 0.00 WT4 O ATOM 50066 H1 TIP3 5341 5.983 8.227 -14.956 1.00 0.00 WT4 H ATOM 50067 H2 TIP3 5341 -12.859 13.739 -0.958 1.00 0.00 WT4 H ATOM 50068 OH2 TIP3 5357 -1.625 -4.166 -1.277 1.00 0.00 WT4 O ATOM 50069 H1 TIP3 5357 4.900 28.189 -17.323 1.00 0.00 WT4 H ATOM 50070 H2 TIP3 5357 -6.557 -12.504 0.722 1.00 0.00 WT4 H ATOM 50071 OH2 TIP3 5358 -3.172 -2.077 2.402 1.00 0.00 WT4 O ATOM 50072 H1 TIP3 5358 -14.547 -4.154 -7.508 1.00 0.00 WT4 H ATOM 50073 H2 TIP3 5358 1.078 1.137 2.576 1.00 0.00 WT4 H ATOM 50074 OH2 TIP3 5359 3.868 -0.250 2.003 1.00 0.00 WT4 O ATOM 50075 H1 TIP3 5359 3.350 -2.438 4.588 1.00 0.00 WT4 H ATOM 50076 H2 TIP3 5359 2.025 2.064 2.056 1.00 0.00 WT4 H ATOM 50077 OH2 TIP3 5360 3.248 -5.423 3.627 1.00 0.00 WT4 O ATOM 50078 H1 TIP3 5360 4.243 -6.309 2.043 1.00 0.00 WT4 H ATOM 50079 H2 TIP3 5360 4.218 -24.572 8.771 1.00 0.00 WT4 H ATOM 50080 OH2 TIP3 5363 -5.427 -0.068 -3.611 1.00 0.00 WT4 O ATOM 50081 H1 TIP3 5363 1.280 16.044 -7.472 1.00 0.00 WT4 H ATOM 50082 H2 TIP3 5363 -8.323 -10.063 -2.667 1.00 0.00 WT4 H ATOM 50083 OH2 TIP3 5364 1.496 -0.534 0.524 1.00 0.00 WT4 O ATOM 50084 H1 TIP3 5364 -2.835 -22.677 -6.045 1.00 0.00 WT4 H ATOM 50085 H2 TIP3 5364 8.788 -2.058 0.793 1.00 0.00 WT4 H ATOM 50086 OH2 TIP3 5375 -6.404 4.178 -5.094 1.00 0.00 WT4 O ATOM 50087 H1 TIP3 5375 -0.360 10.798 -4.293 1.00 0.00 WT4 H ATOM 50088 H2 TIP3 5375 11.164 27.399 4.750 1.00 0.00 WT4 H ATOM 50089 OH2 TIP3 5377 0.150 1.861 -4.664 1.00 0.00 WT4 O ATOM 50090 H1 TIP3 5377 0.742 3.756 -19.748 1.00 0.00 WT4 H ATOM 50091 H2 TIP3 5377 -9.352 14.505 -14.962 1.00 0.00 WT4 H ATOM 50092 OH2 TIP3 5378 3.574 1.438 -5.845 1.00 0.00 WT4 O ATOM 50093 H1 TIP3 5378 5.235 -6.236 -4.819 1.00 0.00 WT4 H ATOM 50094 H2 TIP3 5378 1.778 6.655 -5.452 1.00 0.00 WT4 H ATOM 50095 OH2 TIP3 5379 -4.529 -0.266 -0.947 1.00 0.00 WT4 O ATOM 50096 H1 TIP3 5379 -5.140 -1.236 3.571 1.00 0.00 WT4 H ATOM 50097 H2 TIP3 5379 -8.113 5.384 -1.983 1.00 0.00 WT4 H ATOM 50098 OH2 TIP3 5380 -0.357 -1.566 -1.369 1.00 0.00 WT4 O ATOM 50099 H1 TIP3 5380 -6.350 -0.471 4.373 1.00 0.00 WT4 H ATOM 50100 H2 TIP3 5380 7.519 0.574 0.167 1.00 0.00 WT4 H ATOM 50101 OH2 TIP3 5381 3.736 -5.132 -3.468 1.00 0.00 WT4 O ATOM 50102 H1 TIP3 5381 -2.731 -12.904 2.272 1.00 0.00 WT4 H ATOM 50103 H2 TIP3 5381 8.528 0.926 -13.675 1.00 0.00 WT4 H ATOM 50104 OH2 TIP3 5382 3.986 -1.694 -0.642 1.00 0.00 WT4 O ATOM 50105 H1 TIP3 5382 17.707 -22.225 4.631 1.00 0.00 WT4 H ATOM 50106 H2 TIP3 5382 -2.397 5.965 20.875 1.00 0.00 WT4 H ATOM 50107 OH2 TIP3 5383 0.813 2.413 1.001 1.00 0.00 WT4 O ATOM 50108 H1 TIP3 5383 -4.491 -1.549 13.760 1.00 0.00 WT4 H ATOM 50109 H2 TIP3 5383 -7.275 -3.738 20.984 1.00 0.00 WT4 H ATOM 50110 OH2 TIP3 5384 0.385 -2.934 -2.870 1.00 0.00 WT4 O ATOM 50111 H1 TIP3 5384 20.974 -12.984 15.979 1.00 0.00 WT4 H ATOM 50112 H2 TIP3 5384 18.699 -1.110 -38.140 1.00 0.00 WT4 H ATOM 50113 OH2 TIP3 5385 -3.963 1.580 1.429 1.00 0.00 WT4 O ATOM 50114 H1 TIP3 5385 -26.086 14.379 -16.298 1.00 0.00 WT4 H ATOM 50115 H2 TIP3 5385 -23.632 -13.401 -2.920 1.00 0.00 WT4 H ATOM 50116 OH2 TIP3 5393 -5.731 8.482 2.939 1.00 0.00 WT4 O ATOM 50117 H1 TIP3 5393 -3.649 6.050 6.964 1.00 0.00 WT4 H ATOM 50118 H2 TIP3 5393 -15.773 14.939 6.981 1.00 0.00 WT4 H ATOM 50119 OH2 TIP3 5396 -2.792 1.893 0.309 1.00 0.00 WT4 O ATOM 50120 H1 TIP3 5396 4.148 6.887 14.359 1.00 0.00 WT4 H ATOM 50121 H2 TIP3 5396 -3.021 -14.086 0.174 1.00 0.00 WT4 H ATOM 50122 OH2 TIP3 5399 -0.770 -1.014 -2.887 1.00 0.00 WT4 O ATOM 50123 H1 TIP3 5399 -4.875 -5.040 -9.450 1.00 0.00 WT4 H ATOM 50124 H2 TIP3 5399 8.774 -8.025 -9.677 1.00 0.00 WT4 H ATOM 50125 OH2 TIP3 5400 1.459 -6.217 -0.854 1.00 0.00 WT4 O ATOM 50126 H1 TIP3 5400 -4.101 -4.134 -1.009 1.00 0.00 WT4 H ATOM 50127 H2 TIP3 5400 -4.489 -9.654 -8.376 1.00 0.00 WT4 H ATOM 50128 OH2 TIP3 5402 1.684 -0.109 2.748 1.00 0.00 WT4 O ATOM 50129 H1 TIP3 5402 -7.141 13.172 13.043 1.00 0.00 WT4 H ATOM 50130 H2 TIP3 5402 14.665 -5.196 9.265 1.00 0.00 WT4 H ATOM 50131 OH2 TIP3 5404 2.236 -1.214 -1.534 1.00 0.00 WT4 O ATOM 50132 H1 TIP3 5404 0.382 -6.554 -19.191 1.00 0.00 WT4 H ATOM 50133 H2 TIP3 5404 13.637 -14.095 10.799 1.00 0.00 WT4 H ATOM 50134 OH2 TIP3 5418 -5.283 1.734 5.697 1.00 0.00 WT4 O ATOM 50135 H1 TIP3 5418 -2.069 -7.873 -1.421 1.00 0.00 WT4 H ATOM 50136 H2 TIP3 5418 -1.727 -16.048 -0.508 1.00 0.00 WT4 H ATOM 50137 OH2 TIP3 5419 -0.622 3.739 -1.226 1.00 0.00 WT4 O ATOM 50138 H1 TIP3 5419 -1.797 20.855 -18.519 1.00 0.00 WT4 H ATOM 50139 H2 TIP3 5419 5.099 12.591 2.632 1.00 0.00 WT4 H ATOM 50140 OH2 TIP3 5420 3.096 6.544 -0.177 1.00 0.00 WT4 O ATOM 50141 H1 TIP3 5420 2.214 21.845 27.659 1.00 0.00 WT4 H ATOM 50142 H2 TIP3 5420 -4.965 -15.664 -25.670 1.00 0.00 WT4 H ATOM 50143 OH2 TIP3 5421 3.937 -4.041 -0.945 1.00 0.00 WT4 O ATOM 50144 H1 TIP3 5421 7.468 -3.144 8.888 1.00 0.00 WT4 H ATOM 50145 H2 TIP3 5421 7.418 -11.477 36.889 1.00 0.00 WT4 H ATOM 50146 OH2 TIP3 5422 1.951 -4.110 -1.144 1.00 0.00 WT4 O ATOM 50147 H1 TIP3 5422 17.605 -18.701 -20.048 1.00 0.00 WT4 H ATOM 50148 H2 TIP3 5422 -10.601 -23.387 9.638 1.00 0.00 WT4 H ATOM 50149 OH2 TIP3 5426 2.786 -4.450 2.542 1.00 0.00 WT4 O ATOM 50150 H1 TIP3 5426 1.896 -8.363 -2.548 1.00 0.00 WT4 H ATOM 50151 H2 TIP3 5426 -5.732 -4.916 -2.830 1.00 0.00 WT4 H ATOM 50152 OH2 TIP3 5430 -5.981 -3.586 -11.258 1.00 0.00 WT4 O ATOM 50153 H1 TIP3 5430 -2.319 8.408 -4.909 1.00 0.00 WT4 H ATOM 50154 H2 TIP3 5430 15.121 -26.861 -17.567 1.00 0.00 WT4 H ATOM 50155 OH2 TIP3 5434 -3.473 1.358 1.306 1.00 0.00 WT4 O ATOM 50156 H1 TIP3 5434 -9.578 15.986 7.376 1.00 0.00 WT4 H ATOM 50157 H2 TIP3 5434 26.301 3.610 1.182 1.00 0.00 WT4 H ATOM 50158 OH2 TIP3 5440 1.061 3.167 1.114 1.00 0.00 WT4 O ATOM 50159 H1 TIP3 5440 2.649 7.580 -11.510 1.00 0.00 WT4 H ATOM 50160 H2 TIP3 5440 -3.488 3.413 6.316 1.00 0.00 WT4 H ATOM 50161 OH2 TIP3 5442 1.931 1.920 -4.587 1.00 0.00 WT4 O ATOM 50162 H1 TIP3 5442 -14.459 6.388 11.468 1.00 0.00 WT4 H ATOM 50163 H2 TIP3 5442 6.003 24.484 -8.308 1.00 0.00 WT4 H ATOM 50164 OH2 TIP3 5443 7.054 4.692 -5.694 1.00 0.00 WT4 O ATOM 50165 H1 TIP3 5443 14.045 11.306 -6.875 1.00 0.00 WT4 H ATOM 50166 H2 TIP3 5443 17.733 10.023 -2.051 1.00 0.00 WT4 H ATOM 50167 OH2 TIP3 5444 2.647 -0.709 -2.088 1.00 0.00 WT4 O ATOM 50168 H1 TIP3 5444 1.639 1.826 -1.219 1.00 0.00 WT4 H ATOM 50169 H2 TIP3 5444 9.288 -4.373 -3.067 1.00 0.00 WT4 H ATOM 50170 OH2 TIP3 5446 -3.430 -4.405 2.002 1.00 0.00 WT4 O ATOM 50171 H1 TIP3 5446 12.283 -2.368 -22.651 1.00 0.00 WT4 H ATOM 50172 H2 TIP3 5446 3.142 -28.300 14.395 1.00 0.00 WT4 H ATOM 50173 OH2 TIP3 5460 -1.283 0.451 -0.282 1.00 0.00 WT4 O ATOM 50174 H1 TIP3 5460 -5.013 13.666 -21.214 1.00 0.00 WT4 H ATOM 50175 H2 TIP3 5460 8.374 0.653 11.772 1.00 0.00 WT4 H ATOM 50176 OH2 TIP3 5461 4.423 -4.872 -1.634 1.00 0.00 WT4 O ATOM 50177 H1 TIP3 5461 0.639 -16.293 -3.938 1.00 0.00 WT4 H ATOM 50178 H2 TIP3 5461 10.518 2.569 2.218 1.00 0.00 WT4 H ATOM 50179 OH2 TIP3 5462 -2.178 -1.261 -5.663 1.00 0.00 WT4 O ATOM 50180 H1 TIP3 5462 8.354 -18.314 7.620 1.00 0.00 WT4 H ATOM 50181 H2 TIP3 5462 -12.775 -34.234 -4.309 1.00 0.00 WT4 H ATOM 50182 OH2 TIP3 5463 -2.065 -0.327 0.864 1.00 0.00 WT4 O ATOM 50183 H1 TIP3 5463 1.301 -15.588 -1.526 1.00 0.00 WT4 H ATOM 50184 H2 TIP3 5463 -6.674 8.806 20.760 1.00 0.00 WT4 H ATOM 50185 OH2 TIP3 5464 -2.270 -4.210 2.161 1.00 0.00 WT4 O ATOM 50186 H1 TIP3 5464 -15.206 -1.717 5.575 1.00 0.00 WT4 H ATOM 50187 H2 TIP3 5464 -2.811 17.317 -2.020 1.00 0.00 WT4 H ATOM 50188 OH2 TIP3 5466 3.718 -5.191 -6.116 1.00 0.00 WT4 O ATOM 50189 H1 TIP3 5466 15.299 -16.407 4.965 1.00 0.00 WT4 H ATOM 50190 H2 TIP3 5466 13.507 -18.516 9.179 1.00 0.00 WT4 H ATOM 50191 OH2 TIP3 5481 -0.569 -0.667 0.089 1.00 0.00 WT4 O ATOM 50192 H1 TIP3 5481 12.040 -15.706 34.658 1.00 0.00 WT4 H ATOM 50193 H2 TIP3 5481 -7.781 1.202 12.861 1.00 0.00 WT4 H ATOM 50194 OH2 TIP3 5482 -3.256 1.555 -0.805 1.00 0.00 WT4 O ATOM 50195 H1 TIP3 5482 -2.255 -17.163 15.985 1.00 0.00 WT4 H ATOM 50196 H2 TIP3 5482 -14.791 -5.960 6.091 1.00 0.00 WT4 H ATOM 50197 OH2 TIP3 5484 -1.098 2.756 -1.924 1.00 0.00 WT4 O ATOM 50198 H1 TIP3 5484 -6.239 -1.965 22.774 1.00 0.00 WT4 H ATOM 50199 H2 TIP3 5484 27.934 -3.929 12.240 1.00 0.00 WT4 H ATOM 50200 OH2 TIP3 5487 3.468 4.976 1.406 1.00 0.00 WT4 O ATOM 50201 H1 TIP3 5487 -4.638 -2.149 -4.812 1.00 0.00 WT4 H ATOM 50202 H2 TIP3 5487 -6.295 5.351 1.769 1.00 0.00 WT4 H ATOM 50203 OH2 TIP3 5504 1.093 -5.044 3.330 1.00 0.00 WT4 O ATOM 50204 H1 TIP3 5504 -6.499 26.698 5.123 1.00 0.00 WT4 H ATOM 50205 H2 TIP3 5504 2.574 -11.476 -15.140 1.00 0.00 WT4 H ATOM 50206 OH2 TIP3 5526 7.213 6.737 7.100 1.00 0.00 WT4 O ATOM 50207 H1 TIP3 5526 -1.135 -4.375 -10.948 1.00 0.00 WT4 H ATOM 50208 H2 TIP3 5526 8.103 8.242 1.794 1.00 0.00 WT4 H ATOM 50209 OH2 TIP3 5528 -1.320 -0.380 -0.983 1.00 0.00 WT4 O ATOM 50210 H1 TIP3 5528 -3.340 -6.713 -19.325 1.00 0.00 WT4 H ATOM 50211 H2 TIP3 5528 2.296 2.063 -3.293 1.00 0.00 WT4 H ATOM 50212 OH2 TIP3 5553 -5.349 0.910 1.805 1.00 0.00 WT4 O ATOM 50213 H1 TIP3 5553 7.292 13.213 1.001 1.00 0.00 WT4 H ATOM 50214 H2 TIP3 5553 8.534 -10.748 10.370 1.00 0.00 WT4 H ATOM 50215 OH2 TIP3 5650 -2.952 1.363 -4.596 1.00 0.00 WT4 O ATOM 50216 H1 TIP3 5650 8.899 -10.473 -24.040 1.00 0.00 WT4 H ATOM 50217 H2 TIP3 5650 -1.057 0.039 -7.413 1.00 0.00 WT4 H ATOM 50218 OH2 TIP3 5654 3.241 0.372 -3.820 1.00 0.00 WT4 O ATOM 50219 H1 TIP3 5654 -14.772 -1.423 -3.929 1.00 0.00 WT4 H ATOM 50220 H2 TIP3 5654 -1.898 -4.250 3.559 1.00 0.00 WT4 H ATOM 50221 OH2 TIP3 5669 -2.750 0.603 3.805 1.00 0.00 WT4 O ATOM 50222 H1 TIP3 5669 1.351 8.616 8.928 1.00 0.00 WT4 H ATOM 50223 H2 TIP3 5669 -4.479 -3.459 1.558 1.00 0.00 WT4 H ATOM 50224 OH2 TIP3 5676 1.940 -0.152 -0.494 1.00 0.00 WT4 O ATOM 50225 H1 TIP3 5676 10.583 1.378 10.358 1.00 0.00 WT4 H ATOM 50226 H2 TIP3 5676 -10.888 -11.729 -11.243 1.00 0.00 WT4 H ATOM 50227 OH2 TIP3 5678 0.383 -0.160 -4.167 1.00 0.00 WT4 O ATOM 50228 H1 TIP3 5678 -0.121 -29.992 34.031 1.00 0.00 WT4 H ATOM 50229 H2 TIP3 5678 3.498 2.091 -9.744 1.00 0.00 WT4 H ATOM 50230 OH2 TIP3 5679 0.117 0.232 -1.764 1.00 0.00 WT4 O ATOM 50231 H1 TIP3 5679 4.221 13.953 2.388 1.00 0.00 WT4 H ATOM 50232 H2 TIP3 5679 -22.606 4.221 11.845 1.00 0.00 WT4 H ATOM 50233 OH2 TIP3 5690 0.210 -0.942 -5.045 1.00 0.00 WT4 O ATOM 50234 H1 TIP3 5690 -4.440 -4.771 -4.417 1.00 0.00 WT4 H ATOM 50235 H2 TIP3 5690 0.834 -7.715 6.288 1.00 0.00 WT4 H ATOM 50236 OH2 TIP3 5692 5.102 2.853 1.147 1.00 0.00 WT4 O ATOM 50237 H1 TIP3 5692 10.573 12.096 0.011 1.00 0.00 WT4 H ATOM 50238 H2 TIP3 5692 -1.339 4.135 -1.342 1.00 0.00 WT4 H ATOM 50239 OH2 TIP3 5697 2.271 -4.792 4.793 1.00 0.00 WT4 O ATOM 50240 H1 TIP3 5697 10.215 -15.794 5.212 1.00 0.00 WT4 H ATOM 50241 H2 TIP3 5697 -14.810 14.651 2.074 1.00 0.00 WT4 H ATOM 50242 OH2 TIP3 5710 4.481 5.681 -2.987 1.00 0.00 WT4 O ATOM 50243 H1 TIP3 5710 18.877 1.639 2.017 1.00 0.00 WT4 H ATOM 50244 H2 TIP3 5710 -4.043 17.059 4.482 1.00 0.00 WT4 H ATOM 50245 OH2 TIP3 5711 -0.826 3.261 -3.686 1.00 0.00 WT4 O ATOM 50246 H1 TIP3 5711 -2.631 7.077 -8.339 1.00 0.00 WT4 H ATOM 50247 H2 TIP3 5711 1.652 6.524 -8.317 1.00 0.00 WT4 H ATOM 50248 OH2 TIP3 5713 2.517 0.369 2.343 1.00 0.00 WT4 O ATOM 50249 H1 TIP3 5713 2.673 1.499 7.245 1.00 0.00 WT4 H ATOM 50250 H2 TIP3 5713 25.235 11.293 4.407 1.00 0.00 WT4 H ATOM 50251 OH2 TIP3 5714 -3.171 -0.956 1.502 1.00 0.00 WT4 O ATOM 50252 H1 TIP3 5714 -14.776 -0.585 1.000 1.00 0.00 WT4 H ATOM 50253 H2 TIP3 5714 13.049 -6.974 -5.884 1.00 0.00 WT4 H ATOM 50254 OH2 TIP3 5715 4.862 1.501 -0.985 1.00 0.00 WT4 O ATOM 50255 H1 TIP3 5715 -3.011 1.605 0.701 1.00 0.00 WT4 H ATOM 50256 H2 TIP3 5715 7.891 8.685 -0.919 1.00 0.00 WT4 H ATOM 50257 OH2 TIP3 5720 4.531 3.351 5.870 1.00 0.00 WT4 O ATOM 50258 H1 TIP3 5720 -0.198 3.219 2.180 1.00 0.00 WT4 H ATOM 50259 H2 TIP3 5720 -3.979 17.373 15.130 1.00 0.00 WT4 H ATOM 50260 OH2 TIP3 5734 -2.903 1.815 -1.967 1.00 0.00 WT4 O ATOM 50261 H1 TIP3 5734 -3.133 -3.432 0.703 1.00 0.00 WT4 H ATOM 50262 H2 TIP3 5734 2.526 0.337 -6.589 1.00 0.00 WT4 H ATOM 50263 OH2 TIP3 5736 1.072 -0.054 -2.817 1.00 0.00 WT4 O ATOM 50264 H1 TIP3 5736 10.015 1.026 -1.053 1.00 0.00 WT4 H ATOM 50265 H2 TIP3 5736 22.404 3.057 1.003 1.00 0.00 WT4 H ATOM 50266 OH2 TIP3 5738 6.885 7.358 -1.849 1.00 0.00 WT4 O ATOM 50267 H1 TIP3 5738 -0.925 -26.780 8.074 1.00 0.00 WT4 H ATOM 50268 H2 TIP3 5738 48.074 19.017 4.728 1.00 0.00 WT4 H ATOM 50269 OH2 TIP3 5755 -1.158 -3.072 -0.575 1.00 0.00 WT4 O ATOM 50270 H1 TIP3 5755 -6.491 11.470 -22.311 1.00 0.00 WT4 H ATOM 50271 H2 TIP3 5755 -9.249 -16.405 10.255 1.00 0.00 WT4 H ATOM 50272 OH2 TIP3 5756 2.623 2.022 -2.326 1.00 0.00 WT4 O ATOM 50273 H1 TIP3 5756 -7.377 -7.103 16.586 1.00 0.00 WT4 H ATOM 50274 H2 TIP3 5756 -10.005 -5.379 8.631 1.00 0.00 WT4 H ATOM 50275 OH2 TIP3 5758 3.592 -4.868 -3.978 1.00 0.00 WT4 O ATOM 50276 H1 TIP3 5758 -11.411 7.031 -5.454 1.00 0.00 WT4 H ATOM 50277 H2 TIP3 5758 -4.477 -2.656 4.995 1.00 0.00 WT4 H ATOM 50278 OH2 TIP3 5762 -1.767 3.179 -2.481 1.00 0.00 WT4 O ATOM 50279 H1 TIP3 5762 -23.644 20.204 -1.535 1.00 0.00 WT4 H ATOM 50280 H2 TIP3 5762 -3.420 -9.721 19.401 1.00 0.00 WT4 H ATOM 50281 OH2 TIP3 5764 6.087 8.569 1.827 1.00 0.00 WT4 O ATOM 50282 H1 TIP3 5764 2.258 34.523 9.470 1.00 0.00 WT4 H ATOM 50283 H2 TIP3 5764 10.697 -21.876 -6.603 1.00 0.00 WT4 H ATOM 50284 OH2 TIP3 5767 -1.089 4.520 -0.772 1.00 0.00 WT4 O ATOM 50285 H1 TIP3 5767 -10.656 -17.170 -4.390 1.00 0.00 WT4 H ATOM 50286 H2 TIP3 5767 -16.239 9.094 -9.674 1.00 0.00 WT4 H ATOM 50287 OH2 TIP3 5768 2.962 -5.171 0.295 1.00 0.00 WT4 O ATOM 50288 H1 TIP3 5768 22.684 -11.875 4.924 1.00 0.00 WT4 H ATOM 50289 H2 TIP3 5768 -1.940 0.267 19.460 1.00 0.00 WT4 H ATOM 50290 OH2 TIP3 5777 -0.650 -3.275 -1.781 1.00 0.00 WT4 O ATOM 50291 H1 TIP3 5777 -2.013 -8.542 7.165 1.00 0.00 WT4 H ATOM 50292 H2 TIP3 5777 20.081 2.407 6.384 1.00 0.00 WT4 H ATOM 50293 OH2 TIP3 5778 6.800 -0.530 1.374 1.00 0.00 WT4 O ATOM 50294 H1 TIP3 5778 2.406 6.304 -12.990 1.00 0.00 WT4 H ATOM 50295 H2 TIP3 5778 0.690 -16.933 -4.585 1.00 0.00 WT4 H ATOM 50296 OH2 TIP3 5779 -2.038 -6.183 -4.097 1.00 0.00 WT4 O ATOM 50297 H1 TIP3 5779 0.390 6.375 1.894 1.00 0.00 WT4 H ATOM 50298 H2 TIP3 5779 8.157 -13.233 -1.910 1.00 0.00 WT4 H ATOM 50299 OH2 TIP3 5780 4.379 -3.549 0.366 1.00 0.00 WT4 O ATOM 50300 H1 TIP3 5780 -1.488 4.825 -2.807 1.00 0.00 WT4 H ATOM 50301 H2 TIP3 5780 -4.912 18.969 18.324 1.00 0.00 WT4 H ATOM 50302 OH2 TIP3 5795 2.901 -3.295 5.363 1.00 0.00 WT4 O ATOM 50303 H1 TIP3 5795 11.639 10.329 6.979 1.00 0.00 WT4 H ATOM 50304 H2 TIP3 5795 6.671 -3.937 2.804 1.00 0.00 WT4 H ATOM 50305 OH2 TIP3 5797 9.260 2.974 -1.975 1.00 0.00 WT4 O ATOM 50306 H1 TIP3 5797 -1.258 -0.899 -5.306 1.00 0.00 WT4 H ATOM 50307 H2 TIP3 5797 5.553 0.884 0.163 1.00 0.00 WT4 H ATOM 50308 OH2 TIP3 5798 -7.809 0.991 -1.189 1.00 0.00 WT4 O ATOM 50309 H1 TIP3 5798 -7.753 17.870 13.376 1.00 0.00 WT4 H ATOM 50310 H2 TIP3 5798 4.923 -11.354 -11.269 1.00 0.00 WT4 H ATOM 50311 OH2 TIP3 5799 0.664 -3.001 6.357 1.00 0.00 WT4 O ATOM 50312 H1 TIP3 5799 2.129 -5.114 0.937 1.00 0.00 WT4 H ATOM 50313 H2 TIP3 5799 -1.299 -11.725 -6.514 1.00 0.00 WT4 H ATOM 50314 OH2 TIP3 5800 9.495 0.671 -0.219 1.00 0.00 WT4 O ATOM 50315 H1 TIP3 5800 9.814 6.955 -3.632 1.00 0.00 WT4 H ATOM 50316 H2 TIP3 5800 10.128 -6.061 -6.780 1.00 0.00 WT4 H ATOM 50317 OH2 TIP3 5801 -1.447 3.567 -6.742 1.00 0.00 WT4 O ATOM 50318 H1 TIP3 5801 -18.584 5.300 -2.103 1.00 0.00 WT4 H ATOM 50319 H2 TIP3 5801 16.795 -10.251 11.436 1.00 0.00 WT4 H ATOM 50320 OH2 TIP3 5802 -2.771 -8.538 -8.789 1.00 0.00 WT4 O ATOM 50321 H1 TIP3 5802 -14.085 -0.607 2.401 1.00 0.00 WT4 H ATOM 50322 H2 TIP3 5802 6.152 3.374 -15.518 1.00 0.00 WT4 H ATOM 50323 OH2 TIP3 5818 0.670 6.722 -5.319 1.00 0.00 WT4 O ATOM 50324 H1 TIP3 5818 3.421 2.132 1.558 1.00 0.00 WT4 H ATOM 50325 H2 TIP3 5818 7.106 6.697 -11.166 1.00 0.00 WT4 H ATOM 50326 OH2 TIP3 5819 -2.506 -5.793 0.374 1.00 0.00 WT4 O ATOM 50327 H1 TIP3 5819 -1.487 12.097 -3.969 1.00 0.00 WT4 H ATOM 50328 H2 TIP3 5819 3.526 -11.595 11.648 1.00 0.00 WT4 H ATOM 50329 OH2 TIP3 5820 -4.805 0.844 -1.516 1.00 0.00 WT4 O ATOM 50330 H1 TIP3 5820 -0.808 17.190 -10.115 1.00 0.00 WT4 H ATOM 50331 H2 TIP3 5820 11.208 2.582 3.249 1.00 0.00 WT4 H ATOM 50332 OH2 TIP3 5821 -0.863 0.296 -5.891 1.00 0.00 WT4 O ATOM 50333 H1 TIP3 5821 0.361 -3.064 1.021 1.00 0.00 WT4 H ATOM 50334 H2 TIP3 5821 7.993 -3.135 -10.604 1.00 0.00 WT4 H ATOM 50335 OH2 TIP3 5823 -0.216 2.795 2.486 1.00 0.00 WT4 O ATOM 50336 H1 TIP3 5823 0.812 -6.674 15.702 1.00 0.00 WT4 H ATOM 50337 H2 TIP3 5823 -4.849 22.578 12.282 1.00 0.00 WT4 H ATOM 50338 OH2 TIP3 5828 -0.246 -1.371 1.698 1.00 0.00 WT4 O ATOM 50339 H1 TIP3 5828 -8.509 -7.081 -10.367 1.00 0.00 WT4 H ATOM 50340 H2 TIP3 5828 -4.660 -5.618 -12.451 1.00 0.00 WT4 H ATOM 50341 OH2 TIP3 5836 -0.494 2.102 5.069 1.00 0.00 WT4 O ATOM 50342 H1 TIP3 5836 -1.109 13.847 -1.175 1.00 0.00 WT4 H ATOM 50343 H2 TIP3 5836 -10.383 5.820 5.218 1.00 0.00 WT4 H ATOM 50344 OH2 TIP3 5837 7.413 -4.333 -5.440 1.00 0.00 WT4 O ATOM 50345 H1 TIP3 5837 -1.409 19.133 0.296 1.00 0.00 WT4 H ATOM 50346 H2 TIP3 5837 -0.721 -13.588 -14.364 1.00 0.00 WT4 H ATOM 50347 OH2 TIP3 5839 -4.671 5.707 0.810 1.00 0.00 WT4 O ATOM 50348 H1 TIP3 5839 -0.104 -10.994 -6.028 1.00 0.00 WT4 H ATOM 50349 H2 TIP3 5839 -10.646 -2.793 -19.787 1.00 0.00 WT4 H ATOM 50350 OH2 TIP3 5840 -0.409 6.093 -3.079 1.00 0.00 WT4 O ATOM 50351 H1 TIP3 5840 17.008 -12.648 -3.962 1.00 0.00 WT4 H ATOM 50352 H2 TIP3 5840 -1.308 7.065 6.658 1.00 0.00 WT4 H ATOM 50353 OH2 TIP3 5841 2.668 -0.948 -2.320 1.00 0.00 WT4 O ATOM 50354 H1 TIP3 5841 11.229 -7.683 -5.720 1.00 0.00 WT4 H ATOM 50355 H2 TIP3 5841 11.035 -0.667 -8.916 1.00 0.00 WT4 H ATOM 50356 OH2 TIP3 5843 -0.391 -1.808 -5.616 1.00 0.00 WT4 O ATOM 50357 H1 TIP3 5843 3.487 1.661 -10.499 1.00 0.00 WT4 H ATOM 50358 H2 TIP3 5843 3.483 -13.097 -3.376 1.00 0.00 WT4 H ATOM 50359 OH2 TIP3 5844 4.582 1.165 -4.720 1.00 0.00 WT4 O ATOM 50360 H1 TIP3 5844 16.180 10.793 8.525 1.00 0.00 WT4 H ATOM 50361 H2 TIP3 5844 3.192 -9.745 10.113 1.00 0.00 WT4 H ATOM 50362 OH2 TIP3 5846 1.552 -5.579 -0.963 1.00 0.00 WT4 O ATOM 50363 H1 TIP3 5846 -3.062 -1.912 5.764 1.00 0.00 WT4 H ATOM 50364 H2 TIP3 5846 7.691 2.697 -14.302 1.00 0.00 WT4 H ATOM 50365 OH2 TIP3 5859 -10.837 4.700 0.568 1.00 0.00 WT4 O ATOM 50366 H1 TIP3 5859 -5.956 4.783 -8.926 1.00 0.00 WT4 H ATOM 50367 H2 TIP3 5859 -5.993 12.495 9.169 1.00 0.00 WT4 H ATOM 50368 OH2 TIP3 5860 0.693 2.983 -2.553 1.00 0.00 WT4 O ATOM 50369 H1 TIP3 5860 2.390 3.890 -2.623 1.00 0.00 WT4 H ATOM 50370 H2 TIP3 5860 -7.773 -2.821 -1.183 1.00 0.00 WT4 H ATOM 50371 OH2 TIP3 5861 -1.608 0.927 -0.655 1.00 0.00 WT4 O ATOM 50372 H1 TIP3 5861 -9.854 -17.119 -0.917 1.00 0.00 WT4 H ATOM 50373 H2 TIP3 5861 -31.894 10.042 13.453 1.00 0.00 WT4 H ATOM 50374 OH2 TIP3 5862 0.944 -1.734 -1.711 1.00 0.00 WT4 O ATOM 50375 H1 TIP3 5862 27.798 -23.729 -8.943 1.00 0.00 WT4 H ATOM 50376 H2 TIP3 5862 4.019 15.699 -4.857 1.00 0.00 WT4 H ATOM 50377 OH2 TIP3 5863 1.103 2.421 2.207 1.00 0.00 WT4 O ATOM 50378 H1 TIP3 5863 2.912 -7.849 -11.746 1.00 0.00 WT4 H ATOM 50379 H2 TIP3 5863 6.030 -4.218 5.961 1.00 0.00 WT4 H ATOM 50380 OH2 TIP3 5865 3.121 -1.764 -3.858 1.00 0.00 WT4 O ATOM 50381 H1 TIP3 5865 3.986 -4.427 -1.026 1.00 0.00 WT4 H ATOM 50382 H2 TIP3 5865 0.544 2.569 -6.910 1.00 0.00 WT4 H ATOM 50383 OH2 TIP3 5866 -1.722 3.412 1.767 1.00 0.00 WT4 O ATOM 50384 H1 TIP3 5866 -6.996 5.759 6.051 1.00 0.00 WT4 H ATOM 50385 H2 TIP3 5866 -3.987 8.899 1.658 1.00 0.00 WT4 H ATOM 50386 OH2 TIP3 5869 -2.550 3.268 -1.308 1.00 0.00 WT4 O ATOM 50387 H1 TIP3 5869 -5.905 -18.018 7.870 1.00 0.00 WT4 H ATOM 50388 H2 TIP3 5869 -14.112 -3.277 2.198 1.00 0.00 WT4 H ATOM 50389 OH2 TIP3 5881 -2.412 3.458 6.165 1.00 0.00 WT4 O ATOM 50390 H1 TIP3 5881 4.377 4.872 4.619 1.00 0.00 WT4 H ATOM 50391 H2 TIP3 5881 -2.528 3.134 11.688 1.00 0.00 WT4 H ATOM 50392 OH2 TIP3 5883 -0.785 -4.594 -1.677 1.00 0.00 WT4 O ATOM 50393 H1 TIP3 5883 4.217 -5.703 -13.766 1.00 0.00 WT4 H ATOM 50394 H2 TIP3 5883 7.539 -1.772 -10.661 1.00 0.00 WT4 H ATOM 50395 OH2 TIP3 5884 -1.236 1.408 7.784 1.00 0.00 WT4 O ATOM 50396 H1 TIP3 5884 0.072 7.564 8.833 1.00 0.00 WT4 H ATOM 50397 H2 TIP3 5884 -3.791 -9.838 5.128 1.00 0.00 WT4 H ATOM 50398 OH2 TIP3 5886 -9.350 -1.436 2.316 1.00 0.00 WT4 O ATOM 50399 H1 TIP3 5886 -20.746 5.679 12.356 1.00 0.00 WT4 H ATOM 50400 H2 TIP3 5886 -10.812 -9.019 -17.728 1.00 0.00 WT4 H ATOM 50401 OH2 TIP3 5887 1.165 5.442 -2.016 1.00 0.00 WT4 O ATOM 50402 H1 TIP3 5887 17.584 -10.842 0.213 1.00 0.00 WT4 H ATOM 50403 H2 TIP3 5887 -4.824 -5.897 14.907 1.00 0.00 WT4 H ATOM 50404 OH2 TIP3 5889 -4.586 -7.545 -0.930 1.00 0.00 WT4 O ATOM 50405 H1 TIP3 5889 -9.590 -15.949 -23.616 1.00 0.00 WT4 H ATOM 50406 H2 TIP3 5889 -8.962 12.117 -15.146 1.00 0.00 WT4 H ATOM 50407 OH2 TIP3 5899 -3.158 2.817 -0.262 1.00 0.00 WT4 O ATOM 50408 H1 TIP3 5899 -5.982 0.478 0.783 1.00 0.00 WT4 H ATOM 50409 H2 TIP3 5899 -15.411 -2.155 9.005 1.00 0.00 WT4 H ATOM 50410 OH2 TIP3 5901 4.918 -1.813 5.604 1.00 0.00 WT4 O ATOM 50411 H1 TIP3 5901 5.208 3.868 3.501 1.00 0.00 WT4 H ATOM 50412 H2 TIP3 5901 7.223 -7.978 6.468 1.00 0.00 WT4 H ATOM 50413 OH2 TIP3 5903 -7.310 0.759 -2.540 1.00 0.00 WT4 O ATOM 50414 H1 TIP3 5903 5.144 8.459 -7.465 1.00 0.00 WT4 H ATOM 50415 H2 TIP3 5903 3.698 7.209 -6.861 1.00 0.00 WT4 H ATOM 50416 OH2 TIP3 5905 0.235 3.988 -3.087 1.00 0.00 WT4 O ATOM 50417 H1 TIP3 5905 -19.263 19.826 -14.755 1.00 0.00 WT4 H ATOM 50418 H2 TIP3 5905 -1.015 25.716 -29.367 1.00 0.00 WT4 H ATOM 50419 OH2 TIP3 5906 6.014 -0.080 0.938 1.00 0.00 WT4 O ATOM 50420 H1 TIP3 5906 -7.969 -8.193 -1.393 1.00 0.00 WT4 H ATOM 50421 H2 TIP3 5906 -4.753 2.578 3.248 1.00 0.00 WT4 H ATOM 50422 OH2 TIP3 5909 7.159 1.113 -4.586 1.00 0.00 WT4 O ATOM 50423 H1 TIP3 5909 37.251 23.068 -8.731 1.00 0.00 WT4 H ATOM 50424 H2 TIP3 5909 -23.626 24.467 -15.707 1.00 0.00 WT4 H ATOM 50425 OH2 TIP3 5911 -0.916 8.018 -10.933 1.00 0.00 WT4 O ATOM 50426 H1 TIP3 5911 23.327 4.497 4.784 1.00 0.00 WT4 H ATOM 50427 H2 TIP3 5911 6.762 15.424 -9.069 1.00 0.00 WT4 H ATOM 50428 OH2 TIP3 5920 3.447 0.979 -0.010 1.00 0.00 WT4 O ATOM 50429 H1 TIP3 5920 21.691 -7.777 -25.619 1.00 0.00 WT4 H ATOM 50430 H2 TIP3 5920 -4.268 40.226 7.741 1.00 0.00 WT4 H ATOM 50431 OH2 TIP3 5926 9.318 -3.364 -2.260 1.00 0.00 WT4 O ATOM 50432 H1 TIP3 5926 19.735 3.160 -0.506 1.00 0.00 WT4 H ATOM 50433 H2 TIP3 5926 0.343 2.583 -6.477 1.00 0.00 WT4 H ATOM 50434 OH2 TIP3 5945 0.627 -2.320 5.687 1.00 0.00 WT4 O ATOM 50435 H1 TIP3 5945 2.344 3.933 10.633 1.00 0.00 WT4 H ATOM 50436 H2 TIP3 5945 4.270 19.834 6.306 1.00 0.00 WT4 H ATOM 50437 OH2 TIP3 5947 -2.847 -11.468 1.295 1.00 0.00 WT4 O ATOM 50438 H1 TIP3 5947 1.321 -10.626 4.216 1.00 0.00 WT4 H ATOM 50439 H2 TIP3 5947 -5.319 -6.344 2.871 1.00 0.00 WT4 H ATOM 50440 OH2 TIP3 5948 -0.033 -7.563 -6.918 1.00 0.00 WT4 O ATOM 50441 H1 TIP3 5948 5.724 -1.554 -6.407 1.00 0.00 WT4 H ATOM 50442 H2 TIP3 5948 -1.657 -2.182 8.481 1.00 0.00 WT4 H ATOM 50443 OH2 TIP3 5949 -0.172 -2.239 3.715 1.00 0.00 WT4 O ATOM 50444 H1 TIP3 5949 -8.704 -25.382 -3.942 1.00 0.00 WT4 H ATOM 50445 H2 TIP3 5949 9.168 23.567 -1.779 1.00 0.00 WT4 H ATOM 50446 OH2 TIP3 5964 -2.511 7.861 1.815 1.00 0.00 WT4 O ATOM 50447 H1 TIP3 5964 -2.004 7.206 1.150 1.00 0.00 WT4 H ATOM 50448 H2 TIP3 5964 -6.431 7.642 8.947 1.00 0.00 WT4 H ATOM 50449 OH2 TIP3 5965 6.003 4.981 -8.883 1.00 0.00 WT4 O ATOM 50450 H1 TIP3 5965 17.570 11.997 -5.316 1.00 0.00 WT4 H ATOM 50451 H2 TIP3 5965 39.882 9.286 -22.302 1.00 0.00 WT4 H ATOM 50452 OH2 TIP3 5994 1.738 -5.633 -2.155 1.00 0.00 WT4 O ATOM 50453 H1 TIP3 5994 4.801 -9.228 3.678 1.00 0.00 WT4 H ATOM 50454 H2 TIP3 5994 6.869 8.218 5.604 1.00 0.00 WT4 H ATOM 50455 OH2 TIP3 6019 -1.892 -0.314 0.068 1.00 0.00 WT4 O ATOM 50456 H1 TIP3 6019 6.120 1.526 8.127 1.00 0.00 WT4 H ATOM 50457 H2 TIP3 6019 -2.000 2.618 26.167 1.00 0.00 WT4 H ATOM 50458 OH2 TIP3 6090 1.638 3.617 -5.379 1.00 0.00 WT4 O ATOM 50459 H1 TIP3 6090 -19.942 -5.368 -14.534 1.00 0.00 WT4 H ATOM 50460 H2 TIP3 6090 8.244 1.893 -9.146 1.00 0.00 WT4 H ATOM 50461 OH2 TIP3 6091 3.805 2.783 0.954 1.00 0.00 WT4 O ATOM 50462 H1 TIP3 6091 -5.131 23.712 4.077 1.00 0.00 WT4 H ATOM 50463 H2 TIP3 6091 20.320 -0.605 20.316 1.00 0.00 WT4 H ATOM 50464 OH2 TIP3 6110 -0.897 -1.425 -2.029 1.00 0.00 WT4 O ATOM 50465 H1 TIP3 6110 -1.247 3.515 0.478 1.00 0.00 WT4 H ATOM 50466 H2 TIP3 6110 6.589 9.041 9.455 1.00 0.00 WT4 H ATOM 50467 OH2 TIP3 6134 -1.202 1.720 3.725 1.00 0.00 WT4 O ATOM 50468 H1 TIP3 6134 -3.068 -8.338 3.025 1.00 0.00 WT4 H ATOM 50469 H2 TIP3 6134 -6.903 3.183 2.682 1.00 0.00 WT4 H ATOM 50470 OH2 TIP3 6136 2.952 -0.553 -3.632 1.00 0.00 WT4 O ATOM 50471 H1 TIP3 6136 -3.164 -4.573 -2.514 1.00 0.00 WT4 H ATOM 50472 H2 TIP3 6136 1.999 5.811 -9.331 1.00 0.00 WT4 H ATOM 50473 OH2 TIP3 6138 -1.665 2.940 -2.936 1.00 0.00 WT4 O ATOM 50474 H1 TIP3 6138 11.389 2.336 9.298 1.00 0.00 WT4 H ATOM 50475 H2 TIP3 6138 -2.484 -0.387 4.640 1.00 0.00 WT4 H ATOM 50476 OH2 TIP3 6174 -3.230 -3.415 -3.483 1.00 0.00 WT4 O ATOM 50477 H1 TIP3 6174 -6.673 -11.932 -3.861 1.00 0.00 WT4 H ATOM 50478 H2 TIP3 6174 8.777 1.558 -10.402 1.00 0.00 WT4 H ATOM 50479 OH2 TIP3 6176 -0.647 1.383 0.412 1.00 0.00 WT4 O ATOM 50480 H1 TIP3 6176 10.373 -5.246 -2.714 1.00 0.00 WT4 H ATOM 50481 H2 TIP3 6176 -9.188 7.639 7.813 1.00 0.00 WT4 H ATOM 50482 OH2 TIP3 6177 -3.044 3.493 -0.328 1.00 0.00 WT4 O ATOM 50483 H1 TIP3 6177 -15.364 5.132 -7.037 1.00 0.00 WT4 H ATOM 50484 H2 TIP3 6177 1.772 3.741 -0.637 1.00 0.00 WT4 H ATOM 50485 OH2 TIP3 6178 3.585 0.895 4.153 1.00 0.00 WT4 O ATOM 50486 H1 TIP3 6178 -0.340 -15.410 -13.317 1.00 0.00 WT4 H ATOM 50487 H2 TIP3 6178 20.958 19.864 -6.113 1.00 0.00 WT4 H ATOM 50488 OH2 TIP3 6179 0.943 -4.757 -8.358 1.00 0.00 WT4 O ATOM 50489 H1 TIP3 6179 -3.017 3.980 8.874 1.00 0.00 WT4 H ATOM 50490 H2 TIP3 6179 -13.628 -16.111 19.171 1.00 0.00 WT4 H ATOM 50491 OH2 TIP3 6181 -3.628 -0.266 -3.466 1.00 0.00 WT4 O ATOM 50492 H1 TIP3 6181 -5.720 0.417 -3.998 1.00 0.00 WT4 H ATOM 50493 H2 TIP3 6181 -2.198 -7.586 2.792 1.00 0.00 WT4 H ATOM 50494 OH2 TIP3 6183 -2.061 -1.894 9.928 1.00 0.00 WT4 O ATOM 50495 H1 TIP3 6183 -1.687 2.661 4.696 1.00 0.00 WT4 H ATOM 50496 H2 TIP3 6183 -1.387 1.590 12.662 1.00 0.00 WT4 H ATOM 50497 OH2 TIP3 6195 2.073 -0.394 2.240 1.00 0.00 WT4 O ATOM 50498 H1 TIP3 6195 12.533 -6.399 9.369 1.00 0.00 WT4 H ATOM 50499 H2 TIP3 6195 8.421 8.561 -23.948 1.00 0.00 WT4 H ATOM 50500 OH2 TIP3 6198 2.772 5.200 -2.325 1.00 0.00 WT4 O ATOM 50501 H1 TIP3 6198 -1.635 -27.797 -3.913 1.00 0.00 WT4 H ATOM 50502 H2 TIP3 6198 -5.930 -1.633 5.448 1.00 0.00 WT4 H ATOM 50503 OH2 TIP3 6200 -5.680 -2.136 -8.822 1.00 0.00 WT4 O ATOM 50504 H1 TIP3 6200 3.886 14.870 7.122 1.00 0.00 WT4 H ATOM 50505 H2 TIP3 6200 -30.330 12.215 -8.736 1.00 0.00 WT4 H ATOM 50506 OH2 TIP3 6215 0.496 1.871 -3.230 1.00 0.00 WT4 O ATOM 50507 H1 TIP3 6215 -4.774 -3.401 -10.402 1.00 0.00 WT4 H ATOM 50508 H2 TIP3 6215 1.743 -11.728 -8.078 1.00 0.00 WT4 H ATOM 50509 OH2 TIP3 6216 -2.463 -7.079 3.559 1.00 0.00 WT4 O ATOM 50510 H1 TIP3 6216 7.065 -14.257 21.580 1.00 0.00 WT4 H ATOM 50511 H2 TIP3 6216 11.411 -4.231 1.509 1.00 0.00 WT4 H ATOM 50512 OH2 TIP3 6218 5.081 -7.492 -4.314 1.00 0.00 WT4 O ATOM 50513 H1 TIP3 6218 13.721 -8.969 -6.784 1.00 0.00 WT4 H ATOM 50514 H2 TIP3 6218 -4.390 -17.675 -2.943 1.00 0.00 WT4 H ATOM 50515 OH2 TIP3 6219 -1.271 -1.581 -2.284 1.00 0.00 WT4 O ATOM 50516 H1 TIP3 6219 4.172 -2.704 -7.502 1.00 0.00 WT4 H ATOM 50517 H2 TIP3 6219 -1.802 -0.038 -2.335 1.00 0.00 WT4 H ATOM 50518 OH2 TIP3 6220 -2.372 3.151 -1.395 1.00 0.00 WT4 O ATOM 50519 H1 TIP3 6220 1.115 4.693 1.784 1.00 0.00 WT4 H ATOM 50520 H2 TIP3 6220 3.502 5.372 1.556 1.00 0.00 WT4 H ATOM 50521 OH2 TIP3 6221 -2.175 0.035 3.445 1.00 0.00 WT4 O ATOM 50522 H1 TIP3 6221 -11.604 -8.118 2.481 1.00 0.00 WT4 H ATOM 50523 H2 TIP3 6221 -33.916 -21.774 -7.420 1.00 0.00 WT4 H ATOM 50524 OH2 TIP3 6225 1.572 0.028 2.023 1.00 0.00 WT4 O ATOM 50525 H1 TIP3 6225 12.455 6.754 18.190 1.00 0.00 WT4 H ATOM 50526 H2 TIP3 6225 3.918 5.421 -11.299 1.00 0.00 WT4 H ATOM 50527 OH2 TIP3 6238 -6.279 5.550 -1.306 1.00 0.00 WT4 O ATOM 50528 H1 TIP3 6238 -1.307 -2.158 -5.536 1.00 0.00 WT4 H ATOM 50529 H2 TIP3 6238 -7.091 10.384 26.410 1.00 0.00 WT4 H ATOM 50530 OH2 TIP3 6240 1.193 3.247 -1.540 1.00 0.00 WT4 O ATOM 50531 H1 TIP3 6240 -12.970 -16.893 6.585 1.00 0.00 WT4 H ATOM 50532 H2 TIP3 6240 7.755 3.236 -10.932 1.00 0.00 WT4 H ATOM 50533 OH2 TIP3 6241 -6.865 -2.515 -0.174 1.00 0.00 WT4 O ATOM 50534 H1 TIP3 6241 -11.749 -8.318 4.027 1.00 0.00 WT4 H ATOM 50535 H2 TIP3 6241 1.125 6.472 -6.978 1.00 0.00 WT4 H ATOM 50536 OH2 TIP3 6242 -0.700 0.932 4.339 1.00 0.00 WT4 O ATOM 50537 H1 TIP3 6242 -3.942 -7.894 -13.649 1.00 0.00 WT4 H ATOM 50538 H2 TIP3 6242 2.744 8.597 19.192 1.00 0.00 WT4 H ATOM 50539 OH2 TIP3 6243 -0.178 -2.618 -0.082 1.00 0.00 WT4 O ATOM 50540 H1 TIP3 6243 -19.791 -10.140 -12.880 1.00 0.00 WT4 H ATOM 50541 H2 TIP3 6243 14.811 -22.478 -12.243 1.00 0.00 WT4 H ATOM 50542 OH2 TIP3 6245 -2.330 0.364 7.073 1.00 0.00 WT4 O ATOM 50543 H1 TIP3 6245 -6.309 4.820 11.070 1.00 0.00 WT4 H ATOM 50544 H2 TIP3 6245 -7.102 13.340 16.216 1.00 0.00 WT4 H ATOM 50545 OH2 TIP3 6246 -1.183 -1.080 5.647 1.00 0.00 WT4 O ATOM 50546 H1 TIP3 6246 -11.491 17.198 -4.415 1.00 0.00 WT4 H ATOM 50547 H2 TIP3 6246 9.635 -12.189 -11.863 1.00 0.00 WT4 H ATOM 50548 OH2 TIP3 6258 1.108 4.068 -2.911 1.00 0.00 WT4 O ATOM 50549 H1 TIP3 6258 15.684 6.165 5.918 1.00 0.00 WT4 H ATOM 50550 H2 TIP3 6258 0.042 -11.019 -3.603 1.00 0.00 WT4 H ATOM 50551 OH2 TIP3 6259 4.870 4.751 3.201 1.00 0.00 WT4 O ATOM 50552 H1 TIP3 6259 10.915 8.132 6.029 1.00 0.00 WT4 H ATOM 50553 H2 TIP3 6259 8.625 10.244 -20.928 1.00 0.00 WT4 H ATOM 50554 OH2 TIP3 6261 3.885 1.859 5.988 1.00 0.00 WT4 O ATOM 50555 H1 TIP3 6261 -1.471 -10.499 -9.404 1.00 0.00 WT4 H ATOM 50556 H2 TIP3 6261 -29.588 5.055 33.393 1.00 0.00 WT4 H ATOM 50557 OH2 TIP3 6263 3.507 -7.582 -1.317 1.00 0.00 WT4 O ATOM 50558 H1 TIP3 6263 12.290 -18.123 0.427 1.00 0.00 WT4 H ATOM 50559 H2 TIP3 6263 18.103 7.614 4.644 1.00 0.00 WT4 H ATOM 50560 OH2 TIP3 6264 1.805 -3.904 -0.920 1.00 0.00 WT4 O ATOM 50561 H1 TIP3 6264 -0.176 -3.513 -0.757 1.00 0.00 WT4 H ATOM 50562 H2 TIP3 6264 11.834 -13.964 -0.759 1.00 0.00 WT4 H ATOM 50563 OH2 TIP3 6269 -2.226 -4.005 -5.424 1.00 0.00 WT4 O ATOM 50564 H1 TIP3 6269 -2.048 -17.094 -8.212 1.00 0.00 WT4 H ATOM 50565 H2 TIP3 6269 2.766 0.261 -5.115 1.00 0.00 WT4 H ATOM 50566 OH2 TIP3 6281 -9.163 3.252 -1.656 1.00 0.00 WT4 O ATOM 50567 H1 TIP3 6281 -21.009 14.587 29.242 1.00 0.00 WT4 H ATOM 50568 H2 TIP3 6281 0.188 -0.148 -4.523 1.00 0.00 WT4 H ATOM 50569 OH2 TIP3 6283 1.252 0.955 -7.746 1.00 0.00 WT4 O ATOM 50570 H1 TIP3 6283 13.966 11.242 7.186 1.00 0.00 WT4 H ATOM 50571 H2 TIP3 6283 3.915 9.809 -1.490 1.00 0.00 WT4 H ATOM 50572 OH2 TIP3 6284 -4.790 -1.195 8.825 1.00 0.00 WT4 O ATOM 50573 H1 TIP3 6284 -12.799 24.521 -1.765 1.00 0.00 WT4 H ATOM 50574 H2 TIP3 6284 18.891 -3.385 7.693 1.00 0.00 WT4 H ATOM 50575 OH2 TIP3 6285 3.224 -1.858 4.259 1.00 0.00 WT4 O ATOM 50576 H1 TIP3 6285 -12.993 4.269 -4.582 1.00 0.00 WT4 H ATOM 50577 H2 TIP3 6285 5.443 -9.910 -25.056 1.00 0.00 WT4 H ATOM 50578 OH2 TIP3 6286 5.162 -2.455 4.049 1.00 0.00 WT4 O ATOM 50579 H1 TIP3 6286 9.158 0.282 7.103 1.00 0.00 WT4 H ATOM 50580 H2 TIP3 6286 5.474 -3.176 18.153 1.00 0.00 WT4 H ATOM 50581 OH2 TIP3 6288 -1.054 3.300 -2.313 1.00 0.00 WT4 O ATOM 50582 H1 TIP3 6288 -17.942 -4.936 13.158 1.00 0.00 WT4 H ATOM 50583 H2 TIP3 6288 -1.703 4.803 -29.016 1.00 0.00 WT4 H ATOM 50584 OH2 TIP3 6297 2.886 2.743 -6.155 1.00 0.00 WT4 O ATOM 50585 H1 TIP3 6297 -1.414 -2.196 -2.678 1.00 0.00 WT4 H ATOM 50586 H2 TIP3 6297 -4.277 -2.766 0.317 1.00 0.00 WT4 H ATOM 50587 OH2 TIP3 6300 -4.697 -5.852 7.942 1.00 0.00 WT4 O ATOM 50588 H1 TIP3 6300 22.402 -6.993 15.542 1.00 0.00 WT4 H ATOM 50589 H2 TIP3 6300 10.758 -23.176 -1.668 1.00 0.00 WT4 H ATOM 50590 OH2 TIP3 6303 -4.515 -3.010 -0.051 1.00 0.00 WT4 O ATOM 50591 H1 TIP3 6303 1.470 -4.028 -8.527 1.00 0.00 WT4 H ATOM 50592 H2 TIP3 6303 -15.249 -14.240 10.072 1.00 0.00 WT4 H ATOM 50593 OH2 TIP3 6305 1.658 2.402 0.718 1.00 0.00 WT4 O ATOM 50594 H1 TIP3 6305 8.375 2.541 18.674 1.00 0.00 WT4 H ATOM 50595 H2 TIP3 6305 8.527 -1.757 -12.698 1.00 0.00 WT4 H ATOM 50596 OH2 TIP3 6309 5.692 -0.730 -4.690 1.00 0.00 WT4 O ATOM 50597 H1 TIP3 6309 0.510 15.027 -4.669 1.00 0.00 WT4 H ATOM 50598 H2 TIP3 6309 14.776 1.756 -3.321 1.00 0.00 WT4 H ATOM 50599 OH2 TIP3 6311 -1.197 -2.870 -5.654 1.00 0.00 WT4 O ATOM 50600 H1 TIP3 6311 0.986 2.018 -3.734 1.00 0.00 WT4 H ATOM 50601 H2 TIP3 6311 -11.546 5.999 -18.207 1.00 0.00 WT4 H ATOM 50602 OH2 TIP3 6319 -4.034 -4.246 -1.420 1.00 0.00 WT4 O ATOM 50603 H1 TIP3 6319 -7.048 1.972 10.063 1.00 0.00 WT4 H ATOM 50604 H2 TIP3 6319 -0.741 -30.037 9.795 1.00 0.00 WT4 H ATOM 50605 OH2 TIP3 6321 -2.034 0.278 -3.854 1.00 0.00 WT4 O ATOM 50606 H1 TIP3 6321 -9.289 1.562 -3.946 1.00 0.00 WT4 H ATOM 50607 H2 TIP3 6321 18.207 -4.045 -6.723 1.00 0.00 WT4 H ATOM 50608 OH2 TIP3 6322 4.914 2.516 -8.539 1.00 0.00 WT4 O ATOM 50609 H1 TIP3 6322 10.906 17.204 -23.136 1.00 0.00 WT4 H ATOM 50610 H2 TIP3 6322 -11.684 -1.564 -6.028 1.00 0.00 WT4 H ATOM 50611 OH2 TIP3 6323 8.312 0.334 2.199 1.00 0.00 WT4 O ATOM 50612 H1 TIP3 6323 5.837 -12.393 -7.338 1.00 0.00 WT4 H ATOM 50613 H2 TIP3 6323 21.119 -9.330 10.175 1.00 0.00 WT4 H ATOM 50614 OH2 TIP3 6325 -4.528 -1.657 -6.063 1.00 0.00 WT4 O ATOM 50615 H1 TIP3 6325 -5.786 -16.486 -14.970 1.00 0.00 WT4 H ATOM 50616 H2 TIP3 6325 4.679 -18.462 2.098 1.00 0.00 WT4 H ATOM 50617 OH2 TIP3 6328 -4.476 -1.032 4.412 1.00 0.00 WT4 O ATOM 50618 H1 TIP3 6328 -22.651 3.048 19.563 1.00 0.00 WT4 H ATOM 50619 H2 TIP3 6328 3.358 -0.645 -9.713 1.00 0.00 WT4 H ATOM 50620 OH2 TIP3 6329 -0.610 4.430 1.266 1.00 0.00 WT4 O ATOM 50621 H1 TIP3 6329 26.694 18.401 5.596 1.00 0.00 WT4 H ATOM 50622 H2 TIP3 6329 -13.555 -9.079 -7.652 1.00 0.00 WT4 H ATOM 50623 OH2 TIP3 6345 8.018 4.260 -1.865 1.00 0.00 WT4 O ATOM 50624 H1 TIP3 6345 5.697 14.196 2.234 1.00 0.00 WT4 H ATOM 50625 H2 TIP3 6345 -2.854 25.016 -1.334 1.00 0.00 WT4 H ATOM 50626 OH2 TIP3 6347 -1.831 -7.533 2.262 1.00 0.00 WT4 O ATOM 50627 H1 TIP3 6347 -9.658 -5.934 -1.350 1.00 0.00 WT4 H ATOM 50628 H2 TIP3 6347 -17.796 1.623 -7.160 1.00 0.00 WT4 H ATOM 50629 OH2 TIP3 6348 -4.114 -3.464 2.029 1.00 0.00 WT4 O ATOM 50630 H1 TIP3 6348 -5.256 23.128 0.057 1.00 0.00 WT4 H ATOM 50631 H2 TIP3 6348 5.267 -8.231 4.185 1.00 0.00 WT4 H ATOM 50632 OH2 TIP3 6353 -1.569 8.249 3.754 1.00 0.00 WT4 O ATOM 50633 H1 TIP3 6353 3.275 -0.689 11.509 1.00 0.00 WT4 H ATOM 50634 H2 TIP3 6353 7.322 -1.164 15.381 1.00 0.00 WT4 H ATOM 50635 OH2 TIP3 6357 -3.440 -3.204 -1.798 1.00 0.00 WT4 O ATOM 50636 H1 TIP3 6357 7.531 -3.745 0.851 1.00 0.00 WT4 H ATOM 50637 H2 TIP3 6357 11.143 -8.548 8.028 1.00 0.00 WT4 H ATOM 50638 OH2 TIP3 6364 0.060 -5.654 7.922 1.00 0.00 WT4 O ATOM 50639 H1 TIP3 6364 -13.008 -2.347 -4.690 1.00 0.00 WT4 H ATOM 50640 H2 TIP3 6364 -11.690 -4.342 10.776 1.00 0.00 WT4 H ATOM 50641 OH2 TIP3 6366 4.803 1.643 -0.459 1.00 0.00 WT4 O ATOM 50642 H1 TIP3 6366 6.993 -10.581 1.362 1.00 0.00 WT4 H ATOM 50643 H2 TIP3 6366 5.949 -3.863 -5.712 1.00 0.00 WT4 H ATOM 50644 OH2 TIP3 6369 5.209 0.689 -5.306 1.00 0.00 WT4 O ATOM 50645 H1 TIP3 6369 15.853 -3.323 2.712 1.00 0.00 WT4 H ATOM 50646 H2 TIP3 6369 13.559 6.334 10.821 1.00 0.00 WT4 H ATOM 50647 OH2 TIP3 6381 0.889 -1.770 -1.246 1.00 0.00 WT4 O ATOM 50648 H1 TIP3 6381 -21.024 19.447 3.200 1.00 0.00 WT4 H ATOM 50649 H2 TIP3 6381 6.946 2.816 5.899 1.00 0.00 WT4 H ATOM 50650 OH2 TIP3 6388 4.146 -3.661 -1.490 1.00 0.00 WT4 O ATOM 50651 H1 TIP3 6388 11.230 1.828 -2.820 1.00 0.00 WT4 H ATOM 50652 H2 TIP3 6388 1.445 -1.636 8.588 1.00 0.00 WT4 H ATOM 50653 OH2 TIP3 6390 -4.781 3.049 -4.006 1.00 0.00 WT4 O ATOM 50654 H1 TIP3 6390 1.159 13.575 -3.496 1.00 0.00 WT4 H ATOM 50655 H2 TIP3 6390 -3.229 -0.417 3.958 1.00 0.00 WT4 H ATOM 50656 OH2 TIP3 6403 -8.815 -8.310 3.978 1.00 0.00 WT4 O ATOM 50657 H1 TIP3 6403 -7.164 -9.691 -2.200 1.00 0.00 WT4 H ATOM 50658 H2 TIP3 6403 -12.583 -7.800 19.911 1.00 0.00 WT4 H ATOM 50659 OH2 TIP3 6417 0.146 -2.926 3.117 1.00 0.00 WT4 O ATOM 50660 H1 TIP3 6417 -7.258 1.188 -0.167 1.00 0.00 WT4 H ATOM 50661 H2 TIP3 6417 -4.650 3.066 2.042 1.00 0.00 WT4 H ATOM 50662 OH2 TIP3 6428 3.311 -3.821 5.195 1.00 0.00 WT4 O ATOM 50663 H1 TIP3 6428 22.914 6.438 -2.380 1.00 0.00 WT4 H ATOM 50664 H2 TIP3 6428 -3.315 -24.939 4.784 1.00 0.00 WT4 H ATOM 50665 OH2 TIP3 6429 -1.211 7.411 -0.221 1.00 0.00 WT4 O ATOM 50666 H1 TIP3 6429 -7.115 -1.830 8.952 1.00 0.00 WT4 H ATOM 50667 H2 TIP3 6429 11.419 -0.268 2.663 1.00 0.00 WT4 H ATOM 50668 OH2 TIP3 6492 -2.698 -7.719 -1.343 1.00 0.00 WT4 O ATOM 50669 H1 TIP3 6492 8.843 15.800 -6.778 1.00 0.00 WT4 H ATOM 50670 H2 TIP3 6492 -3.867 -9.462 -0.304 1.00 0.00 WT4 H ATOM 50671 OH2 TIP3 6499 0.881 -1.500 -4.029 1.00 0.00 WT4 O ATOM 50672 H1 TIP3 6499 -3.185 -9.662 -9.044 1.00 0.00 WT4 H ATOM 50673 H2 TIP3 6499 3.652 19.223 0.180 1.00 0.00 WT4 H ATOM 50674 OH2 TIP3 6536 2.239 -3.340 -13.104 1.00 0.00 WT4 O ATOM 50675 H1 TIP3 6536 0.098 -13.334 -18.382 1.00 0.00 WT4 H ATOM 50676 H2 TIP3 6536 -1.097 -2.329 -18.578 1.00 0.00 WT4 H ATOM 50677 OH2 TIP3 6551 7.125 -1.014 2.846 1.00 0.00 WT4 O ATOM 50678 H1 TIP3 6551 10.477 3.598 15.589 1.00 0.00 WT4 H ATOM 50679 H2 TIP3 6551 10.867 10.476 21.921 1.00 0.00 WT4 H ATOM 50680 OH2 TIP3 6555 1.219 -1.553 -4.288 1.00 0.00 WT4 O ATOM 50681 H1 TIP3 6555 12.164 -13.363 9.928 1.00 0.00 WT4 H ATOM 50682 H2 TIP3 6555 3.675 -5.096 2.936 1.00 0.00 WT4 H ATOM 50683 OH2 TIP3 6575 -4.748 2.252 -3.138 1.00 0.00 WT4 O ATOM 50684 H1 TIP3 6575 -6.415 2.078 12.949 1.00 0.00 WT4 H ATOM 50685 H2 TIP3 6575 -3.783 8.479 2.687 1.00 0.00 WT4 H ATOM 50686 OH2 TIP3 6577 -8.165 -2.095 7.463 1.00 0.00 WT4 O ATOM 50687 H1 TIP3 6577 -4.924 -7.405 7.141 1.00 0.00 WT4 H ATOM 50688 H2 TIP3 6577 -7.935 -0.991 7.341 1.00 0.00 WT4 H ATOM 50689 OH2 TIP3 6579 1.899 8.938 -6.303 1.00 0.00 WT4 O ATOM 50690 H1 TIP3 6579 -11.503 1.173 -3.840 1.00 0.00 WT4 H ATOM 50691 H2 TIP3 6579 4.247 20.353 -17.622 1.00 0.00 WT4 H ATOM 50692 OH2 TIP3 6595 3.129 5.159 -2.177 1.00 0.00 WT4 O ATOM 50693 H1 TIP3 6595 -3.374 -10.863 4.469 1.00 0.00 WT4 H ATOM 50694 H2 TIP3 6595 18.054 -5.752 5.965 1.00 0.00 WT4 H ATOM 50695 OH2 TIP3 6597 -5.799 2.816 -3.236 1.00 0.00 WT4 O ATOM 50696 H1 TIP3 6597 3.853 3.454 -2.540 1.00 0.00 WT4 H ATOM 50697 H2 TIP3 6597 5.890 3.943 -2.587 1.00 0.00 WT4 H ATOM 50698 OH2 TIP3 6602 3.808 -0.513 -1.998 1.00 0.00 WT4 O ATOM 50699 H1 TIP3 6602 5.837 -7.071 27.069 1.00 0.00 WT4 H ATOM 50700 H2 TIP3 6602 -4.354 6.949 1.121 1.00 0.00 WT4 H ATOM 50701 OH2 TIP3 6603 2.414 -2.286 -1.698 1.00 0.00 WT4 O ATOM 50702 H1 TIP3 6603 6.382 3.729 5.554 1.00 0.00 WT4 H ATOM 50703 H2 TIP3 6603 15.698 -18.930 -7.652 1.00 0.00 WT4 H ATOM 50704 OH2 TIP3 6615 2.084 5.625 0.597 1.00 0.00 WT4 O ATOM 50705 H1 TIP3 6615 -15.581 0.942 12.376 1.00 0.00 WT4 H ATOM 50706 H2 TIP3 6615 -16.676 8.816 -15.017 1.00 0.00 WT4 H ATOM 50707 OH2 TIP3 6616 -4.396 3.297 4.801 1.00 0.00 WT4 O ATOM 50708 H1 TIP3 6616 -6.715 -6.078 2.954 1.00 0.00 WT4 H ATOM 50709 H2 TIP3 6616 -7.911 -19.124 -7.780 1.00 0.00 WT4 H ATOM 50710 OH2 TIP3 6618 3.936 -1.013 2.813 1.00 0.00 WT4 O ATOM 50711 H1 TIP3 6618 0.627 2.085 2.103 1.00 0.00 WT4 H ATOM 50712 H2 TIP3 6618 -5.605 8.367 -9.358 1.00 0.00 WT4 H ATOM 50713 OH2 TIP3 6620 -4.176 1.154 5.324 1.00 0.00 WT4 O ATOM 50714 H1 TIP3 6620 -3.386 -1.421 -3.133 1.00 0.00 WT4 H ATOM 50715 H2 TIP3 6620 -11.865 -2.074 5.473 1.00 0.00 WT4 H ATOM 50716 OH2 TIP3 6621 0.306 -3.440 -2.182 1.00 0.00 WT4 O ATOM 50717 H1 TIP3 6621 -13.128 -0.155 2.985 1.00 0.00 WT4 H ATOM 50718 H2 TIP3 6621 32.594 -5.889 5.877 1.00 0.00 WT4 H ATOM 50719 OH2 TIP3 6623 7.027 -1.121 -3.503 1.00 0.00 WT4 O ATOM 50720 H1 TIP3 6623 7.958 -12.250 5.350 1.00 0.00 WT4 H ATOM 50721 H2 TIP3 6623 -8.101 -13.544 -5.897 1.00 0.00 WT4 H ATOM 50722 OH2 TIP3 6637 1.489 5.743 2.943 1.00 0.00 WT4 O ATOM 50723 H1 TIP3 6637 2.832 -3.265 -2.449 1.00 0.00 WT4 H ATOM 50724 H2 TIP3 6637 3.010 -3.922 3.495 1.00 0.00 WT4 H ATOM 50725 OH2 TIP3 6639 -1.377 1.994 9.326 1.00 0.00 WT4 O ATOM 50726 H1 TIP3 6639 -6.813 10.262 10.957 1.00 0.00 WT4 H ATOM 50727 H2 TIP3 6639 -0.384 6.823 7.187 1.00 0.00 WT4 H ATOM 50728 OH2 TIP3 6640 3.682 3.739 -2.085 1.00 0.00 WT4 O ATOM 50729 H1 TIP3 6640 1.093 6.945 2.103 1.00 0.00 WT4 H ATOM 50730 H2 TIP3 6640 14.648 -22.727 -7.149 1.00 0.00 WT4 H ATOM 50731 OH2 TIP3 6641 -0.928 0.705 0.780 1.00 0.00 WT4 O ATOM 50732 H1 TIP3 6641 6.010 -8.196 -16.113 1.00 0.00 WT4 H ATOM 50733 H2 TIP3 6641 4.108 -5.957 -4.339 1.00 0.00 WT4 H ATOM 50734 OH2 TIP3 6645 -5.822 2.104 -5.880 1.00 0.00 WT4 O ATOM 50735 H1 TIP3 6645 13.010 7.458 -36.106 1.00 0.00 WT4 H ATOM 50736 H2 TIP3 6645 -4.102 26.101 6.445 1.00 0.00 WT4 H ATOM 50737 OH2 TIP3 6659 2.304 -2.875 0.579 1.00 0.00 WT4 O ATOM 50738 H1 TIP3 6659 6.887 13.340 4.441 1.00 0.00 WT4 H ATOM 50739 H2 TIP3 6659 -29.523 -2.212 -3.507 1.00 0.00 WT4 H ATOM 50740 OH2 TIP3 6660 -3.317 0.645 -0.827 1.00 0.00 WT4 O ATOM 50741 H1 TIP3 6660 -16.844 -14.271 9.420 1.00 0.00 WT4 H ATOM 50742 H2 TIP3 6660 10.402 14.198 -6.172 1.00 0.00 WT4 H ATOM 50743 OH2 TIP3 6661 7.663 -0.765 -7.505 1.00 0.00 WT4 O ATOM 50744 H1 TIP3 6661 11.686 1.131 -7.882 1.00 0.00 WT4 H ATOM 50745 H2 TIP3 6661 0.412 -9.496 -6.696 1.00 0.00 WT4 H ATOM 50746 OH2 TIP3 6662 0.247 2.701 -0.775 1.00 0.00 WT4 O ATOM 50747 H1 TIP3 6662 5.263 -1.631 0.719 1.00 0.00 WT4 H ATOM 50748 H2 TIP3 6662 16.739 -2.818 0.615 1.00 0.00 WT4 H ATOM 50749 OH2 TIP3 6664 -0.303 0.097 7.434 1.00 0.00 WT4 O ATOM 50750 H1 TIP3 6664 1.890 -12.578 9.405 1.00 0.00 WT4 H ATOM 50751 H2 TIP3 6664 2.734 -0.798 0.861 1.00 0.00 WT4 H ATOM 50752 OH2 TIP3 6671 1.369 -5.881 3.088 1.00 0.00 WT4 O ATOM 50753 H1 TIP3 6671 -14.889 3.722 3.152 1.00 0.00 WT4 H ATOM 50754 H2 TIP3 6671 -16.580 3.039 3.120 1.00 0.00 WT4 H ATOM 50755 OH2 TIP3 6679 -7.018 -7.502 -10.139 1.00 0.00 WT4 O ATOM 50756 H1 TIP3 6679 6.332 -16.237 -11.365 1.00 0.00 WT4 H ATOM 50757 H2 TIP3 6679 3.239 -11.942 -9.523 1.00 0.00 WT4 H ATOM 50758 OH2 TIP3 6681 -7.940 4.153 -1.400 1.00 0.00 WT4 O ATOM 50759 H1 TIP3 6681 -15.688 14.843 -5.359 1.00 0.00 WT4 H ATOM 50760 H2 TIP3 6681 -15.303 -1.442 -5.189 1.00 0.00 WT4 H ATOM 50761 OH2 TIP3 6684 -5.817 5.600 -0.923 1.00 0.00 WT4 O ATOM 50762 H1 TIP3 6684 2.147 0.788 -5.234 1.00 0.00 WT4 H ATOM 50763 H2 TIP3 6684 15.212 5.688 -2.224 1.00 0.00 WT4 H ATOM 50764 OH2 TIP3 6686 -0.544 -0.366 -1.630 1.00 0.00 WT4 O ATOM 50765 H1 TIP3 6686 -7.131 5.348 -6.795 1.00 0.00 WT4 H ATOM 50766 H2 TIP3 6686 -3.863 0.471 3.488 1.00 0.00 WT4 H ATOM 50767 OH2 TIP3 6698 1.518 -3.839 -2.133 1.00 0.00 WT4 O ATOM 50768 H1 TIP3 6698 18.215 8.675 -18.157 1.00 0.00 WT4 H ATOM 50769 H2 TIP3 6698 15.054 8.926 -16.784 1.00 0.00 WT4 H ATOM 50770 OH2 TIP3 6700 -8.256 -3.276 3.602 1.00 0.00 WT4 O ATOM 50771 H1 TIP3 6700 -9.260 7.437 7.712 1.00 0.00 WT4 H ATOM 50772 H2 TIP3 6700 -7.249 13.487 -20.677 1.00 0.00 WT4 H ATOM 50773 OH2 TIP3 6701 4.293 2.467 1.119 1.00 0.00 WT4 O ATOM 50774 H1 TIP3 6701 -6.855 0.249 -8.900 1.00 0.00 WT4 H ATOM 50775 H2 TIP3 6701 3.796 -0.708 19.254 1.00 0.00 WT4 H ATOM 50776 OH2 TIP3 6703 -2.017 5.627 -1.934 1.00 0.00 WT4 O ATOM 50777 H1 TIP3 6703 -3.868 18.279 -7.470 1.00 0.00 WT4 H ATOM 50778 H2 TIP3 6703 -12.520 -7.024 -8.549 1.00 0.00 WT4 H ATOM 50779 OH2 TIP3 6704 0.241 0.963 -1.291 1.00 0.00 WT4 O ATOM 50780 H1 TIP3 6704 18.204 -20.109 10.485 1.00 0.00 WT4 H ATOM 50781 H2 TIP3 6704 22.743 -23.695 12.064 1.00 0.00 WT4 H ATOM 50782 OH2 TIP3 6705 -2.570 3.522 -1.542 1.00 0.00 WT4 O ATOM 50783 H1 TIP3 6705 5.823 -5.383 0.514 1.00 0.00 WT4 H ATOM 50784 H2 TIP3 6705 -3.604 13.501 -16.890 1.00 0.00 WT4 H ATOM 50785 OH2 TIP3 6706 3.115 -1.016 -5.804 1.00 0.00 WT4 O ATOM 50786 H1 TIP3 6706 6.735 2.377 -3.166 1.00 0.00 WT4 H ATOM 50787 H2 TIP3 6706 0.355 -15.099 -11.153 1.00 0.00 WT4 H ATOM 50788 OH2 TIP3 6721 -3.151 -1.227 1.970 1.00 0.00 WT4 O ATOM 50789 H1 TIP3 6721 11.963 -10.607 -2.875 1.00 0.00 WT4 H ATOM 50790 H2 TIP3 6721 -9.131 1.496 2.942 1.00 0.00 WT4 H ATOM 50791 OH2 TIP3 6722 0.412 0.458 1.797 1.00 0.00 WT4 O ATOM 50792 H1 TIP3 6722 4.920 6.229 3.161 1.00 0.00 WT4 H ATOM 50793 H2 TIP3 6722 15.083 -3.726 6.402 1.00 0.00 WT4 H ATOM 50794 OH2 TIP3 6726 4.260 -1.201 6.058 1.00 0.00 WT4 O ATOM 50795 H1 TIP3 6726 -2.384 -4.490 1.824 1.00 0.00 WT4 H ATOM 50796 H2 TIP3 6726 13.158 10.534 9.026 1.00 0.00 WT4 H ATOM 50797 OH2 TIP3 6727 0.404 -0.281 -3.136 1.00 0.00 WT4 O ATOM 50798 H1 TIP3 6727 -7.011 -4.869 18.721 1.00 0.00 WT4 H ATOM 50799 H2 TIP3 6727 4.974 2.100 -17.604 1.00 0.00 WT4 H ATOM 50800 OH2 TIP3 6730 -0.493 -4.670 0.246 1.00 0.00 WT4 O ATOM 50801 H1 TIP3 6730 1.270 -4.944 16.006 1.00 0.00 WT4 H ATOM 50802 H2 TIP3 6730 10.280 1.226 13.319 1.00 0.00 WT4 H ATOM 50803 OH2 TIP3 6731 -12.153 5.892 -2.559 1.00 0.00 WT4 O ATOM 50804 H1 TIP3 6731 -10.458 4.159 10.175 1.00 0.00 WT4 H ATOM 50805 H2 TIP3 6731 -1.178 2.715 -2.258 1.00 0.00 WT4 H ATOM 50806 OH2 TIP3 6740 -2.058 -2.249 2.726 1.00 0.00 WT4 O ATOM 50807 H1 TIP3 6740 1.152 1.639 19.696 1.00 0.00 WT4 H ATOM 50808 H2 TIP3 6740 -13.757 -16.221 -12.436 1.00 0.00 WT4 H ATOM 50809 OH2 TIP3 6742 1.946 1.685 -4.623 1.00 0.00 WT4 O ATOM 50810 H1 TIP3 6742 -23.729 -0.879 2.884 1.00 0.00 WT4 H ATOM 50811 H2 TIP3 6742 -5.305 -0.940 -0.285 1.00 0.00 WT4 H ATOM 50812 OH2 TIP3 6743 2.635 -5.398 6.859 1.00 0.00 WT4 O ATOM 50813 H1 TIP3 6743 4.393 13.139 11.170 1.00 0.00 WT4 H ATOM 50814 H2 TIP3 6743 -1.910 -48.805 -3.292 1.00 0.00 WT4 H ATOM 50815 OH2 TIP3 6745 -2.543 8.077 -0.656 1.00 0.00 WT4 O ATOM 50816 H1 TIP3 6745 -6.686 10.124 -2.401 1.00 0.00 WT4 H ATOM 50817 H2 TIP3 6745 1.119 -5.967 7.853 1.00 0.00 WT4 H ATOM 50818 OH2 TIP3 6750 2.911 5.356 -1.771 1.00 0.00 WT4 O ATOM 50819 H1 TIP3 6750 -0.396 -32.355 2.942 1.00 0.00 WT4 H ATOM 50820 H2 TIP3 6750 -1.852 -2.055 3.109 1.00 0.00 WT4 H ATOM 50821 OH2 TIP3 6762 -0.162 3.822 3.237 1.00 0.00 WT4 O ATOM 50822 H1 TIP3 6762 -5.647 9.723 16.095 1.00 0.00 WT4 H ATOM 50823 H2 TIP3 6762 -11.653 -7.356 1.977 1.00 0.00 WT4 H ATOM 50824 OH2 TIP3 6763 -5.862 1.463 2.745 1.00 0.00 WT4 O ATOM 50825 H1 TIP3 6763 -13.861 1.658 6.073 1.00 0.00 WT4 H ATOM 50826 H2 TIP3 6763 10.447 -14.744 -0.056 1.00 0.00 WT4 H ATOM 50827 OH2 TIP3 6765 0.402 -4.466 -0.165 1.00 0.00 WT4 O ATOM 50828 H1 TIP3 6765 14.517 -5.745 6.136 1.00 0.00 WT4 H ATOM 50829 H2 TIP3 6765 -3.985 3.273 -7.358 1.00 0.00 WT4 H ATOM 50830 OH2 TIP3 6767 -1.804 1.463 1.189 1.00 0.00 WT4 O ATOM 50831 H1 TIP3 6767 -2.701 6.859 11.749 1.00 0.00 WT4 H ATOM 50832 H2 TIP3 6767 -4.157 -5.916 -16.487 1.00 0.00 WT4 H ATOM 50833 OH2 TIP3 6769 5.438 -5.552 5.626 1.00 0.00 WT4 O ATOM 50834 H1 TIP3 6769 34.206 -4.737 -26.112 1.00 0.00 WT4 H ATOM 50835 H2 TIP3 6769 7.453 -1.272 21.148 1.00 0.00 WT4 H ATOM 50836 OH2 TIP3 6770 -3.529 5.454 1.217 1.00 0.00 WT4 O ATOM 50837 H1 TIP3 6770 -12.843 5.402 3.452 1.00 0.00 WT4 H ATOM 50838 H2 TIP3 6770 6.894 6.795 -1.324 1.00 0.00 WT4 H ATOM 50839 OH2 TIP3 6771 -4.732 -1.845 4.826 1.00 0.00 WT4 O ATOM 50840 H1 TIP3 6771 -0.262 4.784 7.398 1.00 0.00 WT4 H ATOM 50841 H2 TIP3 6771 12.380 -12.424 12.252 1.00 0.00 WT4 H ATOM 50842 OH2 TIP3 6786 -5.706 -6.008 -3.946 1.00 0.00 WT4 O ATOM 50843 H1 TIP3 6786 2.638 -0.576 -19.441 1.00 0.00 WT4 H ATOM 50844 H2 TIP3 6786 0.086 -0.461 -21.557 1.00 0.00 WT4 H ATOM 50845 OH2 TIP3 6788 -2.025 2.105 8.280 1.00 0.00 WT4 O ATOM 50846 H1 TIP3 6788 7.945 13.646 21.731 1.00 0.00 WT4 H ATOM 50847 H2 TIP3 6788 -12.765 -3.132 4.881 1.00 0.00 WT4 H ATOM 50848 OH2 TIP3 6791 3.164 -0.073 -3.154 1.00 0.00 WT4 O ATOM 50849 H1 TIP3 6791 21.307 -9.718 9.122 1.00 0.00 WT4 H ATOM 50850 H2 TIP3 6791 -6.624 19.151 -11.678 1.00 0.00 WT4 H ATOM 50851 OH2 TIP3 6792 -8.446 1.512 -0.367 1.00 0.00 WT4 O ATOM 50852 H1 TIP3 6792 -11.704 -5.904 17.249 1.00 0.00 WT4 H ATOM 50853 H2 TIP3 6792 -6.401 0.368 -12.814 1.00 0.00 WT4 H ATOM 50854 OH2 TIP3 6803 0.294 6.447 -4.268 1.00 0.00 WT4 O ATOM 50855 H1 TIP3 6803 -1.952 6.930 10.897 1.00 0.00 WT4 H ATOM 50856 H2 TIP3 6803 -0.713 5.903 -20.030 1.00 0.00 WT4 H ATOM 50857 OH2 TIP3 6813 0.228 1.795 1.300 1.00 0.00 WT4 O ATOM 50858 H1 TIP3 6813 -0.273 -14.138 -10.375 1.00 0.00 WT4 H ATOM 50859 H2 TIP3 6813 12.590 -6.606 5.824 1.00 0.00 WT4 H ATOM 50860 OH2 TIP3 6825 0.328 5.984 1.421 1.00 0.00 WT4 O ATOM 50861 H1 TIP3 6825 2.669 8.416 6.004 1.00 0.00 WT4 H ATOM 50862 H2 TIP3 6825 1.666 24.702 25.330 1.00 0.00 WT4 H ATOM 50863 OH2 TIP3 6826 -5.270 0.149 -2.387 1.00 0.00 WT4 O ATOM 50864 H1 TIP3 6826 -14.912 -8.605 6.648 1.00 0.00 WT4 H ATOM 50865 H2 TIP3 6826 -15.218 13.882 -5.027 1.00 0.00 WT4 H ATOM 50866 OH2 TIP3 6827 1.210 -7.297 2.850 1.00 0.00 WT4 O ATOM 50867 H1 TIP3 6827 17.866 -28.606 -13.549 1.00 0.00 WT4 H ATOM 50868 H2 TIP3 6827 3.933 11.222 5.672 1.00 0.00 WT4 H ATOM 50869 OH2 TIP3 6853 -4.243 -0.352 6.504 1.00 0.00 WT4 O ATOM 50870 H1 TIP3 6853 -3.036 2.074 5.092 1.00 0.00 WT4 H ATOM 50871 H2 TIP3 6853 -6.404 -10.152 13.210 1.00 0.00 WT4 H ATOM 50872 OH2 TIP3 6855 -3.522 -10.207 -2.788 1.00 0.00 WT4 O ATOM 50873 H1 TIP3 6855 -6.186 -7.477 -6.507 1.00 0.00 WT4 H ATOM 50874 H2 TIP3 6855 5.684 5.226 5.248 1.00 0.00 WT4 H ATOM 50875 OH2 TIP3 6872 3.850 -4.508 1.463 1.00 0.00 WT4 O ATOM 50876 H1 TIP3 6872 12.198 10.131 -10.323 1.00 0.00 WT4 H ATOM 50877 H2 TIP3 6872 -16.011 -3.482 -1.696 1.00 0.00 WT4 H ATOM 50878 OH2 TIP3 6896 5.682 7.338 2.851 1.00 0.00 WT4 O ATOM 50879 H1 TIP3 6896 5.365 14.575 14.343 1.00 0.00 WT4 H ATOM 50880 H2 TIP3 6896 3.304 -1.306 -1.335 1.00 0.00 WT4 H ATOM 50881 OH2 TIP3 6916 -1.874 2.732 -5.164 1.00 0.00 WT4 O ATOM 50882 H1 TIP3 6916 -6.447 -18.772 11.553 1.00 0.00 WT4 H ATOM 50883 H2 TIP3 6916 -4.282 7.592 -18.871 1.00 0.00 WT4 H ATOM 50884 OH2 TIP3 6952 -2.509 -2.933 2.351 1.00 0.00 WT4 O ATOM 50885 H1 TIP3 6952 -0.424 2.962 -12.752 1.00 0.00 WT4 H ATOM 50886 H2 TIP3 6952 -3.758 0.071 2.087 1.00 0.00 WT4 H ATOM 50887 OH2 TIP3 6953 -4.745 -0.641 -4.437 1.00 0.00 WT4 O ATOM 50888 H1 TIP3 6953 0.447 18.032 6.422 1.00 0.00 WT4 H ATOM 50889 H2 TIP3 6953 -17.767 -6.156 12.857 1.00 0.00 WT4 H ATOM 50890 OH2 TIP3 6955 0.814 -4.322 -8.801 1.00 0.00 WT4 O ATOM 50891 H1 TIP3 6955 4.150 -6.823 -5.842 1.00 0.00 WT4 H ATOM 50892 H2 TIP3 6955 -1.921 -3.299 -0.689 1.00 0.00 WT4 H ATOM 50893 OH2 TIP3 6975 -0.834 -1.928 -1.915 1.00 0.00 WT4 O ATOM 50894 H1 TIP3 6975 5.450 6.810 -6.211 1.00 0.00 WT4 H ATOM 50895 H2 TIP3 6975 -3.255 -2.396 -0.148 1.00 0.00 WT4 H ATOM 50896 OH2 TIP3 7017 -4.318 -0.756 2.253 1.00 0.00 WT4 O ATOM 50897 H1 TIP3 7017 -0.343 -26.996 -2.750 1.00 0.00 WT4 H ATOM 50898 H2 TIP3 7017 -2.811 13.485 6.641 1.00 0.00 WT4 H ATOM 50899 OH2 TIP3 7019 -3.249 1.468 -4.522 1.00 0.00 WT4 O ATOM 50900 H1 TIP3 7019 -3.148 -1.183 4.992 1.00 0.00 WT4 H ATOM 50901 H2 TIP3 7019 0.394 0.360 -12.645 1.00 0.00 WT4 H ATOM 50902 OH2 TIP3 7020 -4.677 3.534 -0.462 1.00 0.00 WT4 O ATOM 50903 H1 TIP3 7020 -1.130 -10.502 -10.445 1.00 0.00 WT4 H ATOM 50904 H2 TIP3 7020 3.857 13.134 0.737 1.00 0.00 WT4 H ATOM 50905 OH2 TIP3 7021 1.544 -2.181 0.223 1.00 0.00 WT4 O ATOM 50906 H1 TIP3 7021 -4.335 -2.094 -5.035 1.00 0.00 WT4 H ATOM 50907 H2 TIP3 7021 -0.962 -11.690 -7.299 1.00 0.00 WT4 H ATOM 50908 OH2 TIP3 7023 5.034 -1.901 4.322 1.00 0.00 WT4 O ATOM 50909 H1 TIP3 7023 8.493 10.872 -0.065 1.00 0.00 WT4 H ATOM 50910 H2 TIP3 7023 8.009 -10.471 -8.310 1.00 0.00 WT4 H ATOM 50911 OH2 TIP3 7040 -9.774 -9.302 -4.336 1.00 0.00 WT4 O ATOM 50912 H1 TIP3 7040 -3.404 -30.023 -23.450 1.00 0.00 WT4 H ATOM 50913 H2 TIP3 7040 11.645 -26.703 -12.164 1.00 0.00 WT4 H ATOM 50914 OH2 TIP3 7041 -1.333 -6.873 1.537 1.00 0.00 WT4 O ATOM 50915 H1 TIP3 7041 -1.926 4.883 3.161 1.00 0.00 WT4 H ATOM 50916 H2 TIP3 7041 14.660 5.047 -2.437 1.00 0.00 WT4 H ATOM 50917 OH2 TIP3 7042 3.454 0.112 -2.452 1.00 0.00 WT4 O ATOM 50918 H1 TIP3 7042 9.069 2.847 -15.064 1.00 0.00 WT4 H ATOM 50919 H2 TIP3 7042 6.763 3.605 -8.758 1.00 0.00 WT4 H ATOM 50920 OH2 TIP3 7043 3.542 6.822 2.154 1.00 0.00 WT4 O ATOM 50921 H1 TIP3 7043 -28.550 2.467 -0.771 1.00 0.00 WT4 H ATOM 50922 H2 TIP3 7043 -3.517 -0.197 6.349 1.00 0.00 WT4 H ATOM 50923 OH2 TIP3 7052 5.923 2.072 7.724 1.00 0.00 WT4 O ATOM 50924 H1 TIP3 7052 -9.360 -11.564 15.942 1.00 0.00 WT4 H ATOM 50925 H2 TIP3 7052 -17.682 -23.256 17.708 1.00 0.00 WT4 H ATOM 50926 OH2 TIP3 7058 0.807 4.471 6.991 1.00 0.00 WT4 O ATOM 50927 H1 TIP3 7058 2.275 -10.572 17.258 1.00 0.00 WT4 H ATOM 50928 H2 TIP3 7058 12.297 9.783 -1.194 1.00 0.00 WT4 H ATOM 50929 OH2 TIP3 7059 -1.241 -2.129 2.527 1.00 0.00 WT4 O ATOM 50930 H1 TIP3 7059 6.316 13.079 -5.519 1.00 0.00 WT4 H ATOM 50931 H2 TIP3 7059 -5.320 -15.095 4.985 1.00 0.00 WT4 H ATOM 50932 OH2 TIP3 7062 -3.575 -1.814 -1.034 1.00 0.00 WT4 O ATOM 50933 H1 TIP3 7062 0.479 22.063 9.587 1.00 0.00 WT4 H ATOM 50934 H2 TIP3 7062 -9.061 -16.796 3.277 1.00 0.00 WT4 H ATOM 50935 OH2 TIP3 7063 5.762 1.548 -7.046 1.00 0.00 WT4 O ATOM 50936 H1 TIP3 7063 3.707 -7.046 -21.054 1.00 0.00 WT4 H ATOM 50937 H2 TIP3 7063 15.366 -3.886 -12.306 1.00 0.00 WT4 H ATOM 50938 OH2 TIP3 7065 1.949 5.342 4.480 1.00 0.00 WT4 O ATOM 50939 H1 TIP3 7065 8.937 1.393 -3.161 1.00 0.00 WT4 H ATOM 50940 H2 TIP3 7065 -1.279 12.792 -6.717 1.00 0.00 WT4 H ATOM 50941 OH2 TIP3 7076 10.741 -0.909 -3.035 1.00 0.00 WT4 O ATOM 50942 H1 TIP3 7076 -7.308 -11.224 20.550 1.00 0.00 WT4 H ATOM 50943 H2 TIP3 7076 18.744 -23.960 24.896 1.00 0.00 WT4 H ATOM 50944 OH2 TIP3 7078 -3.911 2.492 1.885 1.00 0.00 WT4 O ATOM 50945 H1 TIP3 7078 -9.232 -7.242 -2.884 1.00 0.00 WT4 H ATOM 50946 H2 TIP3 7078 -3.365 0.951 8.758 1.00 0.00 WT4 H ATOM 50947 OH2 TIP3 7081 -2.579 6.854 1.610 1.00 0.00 WT4 O ATOM 50948 H1 TIP3 7081 3.793 -18.139 14.973 1.00 0.00 WT4 H ATOM 50949 H2 TIP3 7081 17.687 -0.107 -14.583 1.00 0.00 WT4 H ATOM 50950 OH2 TIP3 7100 5.177 2.033 -2.990 1.00 0.00 WT4 O ATOM 50951 H1 TIP3 7100 -4.937 4.357 -2.043 1.00 0.00 WT4 H ATOM 50952 H2 TIP3 7100 -18.859 10.480 16.045 1.00 0.00 WT4 H ATOM 50953 OH2 TIP3 7101 4.066 -0.226 -4.207 1.00 0.00 WT4 O ATOM 50954 H1 TIP3 7101 6.469 2.689 -4.785 1.00 0.00 WT4 H ATOM 50955 H2 TIP3 7101 1.351 3.942 -2.253 1.00 0.00 WT4 H ATOM 50956 OH2 TIP3 7102 1.774 -6.047 3.300 1.00 0.00 WT4 O ATOM 50957 H1 TIP3 7102 -13.605 -33.925 14.920 1.00 0.00 WT4 H ATOM 50958 H2 TIP3 7102 35.637 -10.125 5.070 1.00 0.00 WT4 H ATOM 50959 OH2 TIP3 7104 1.241 -5.007 5.884 1.00 0.00 WT4 O ATOM 50960 H1 TIP3 7104 -5.962 -6.211 23.173 1.00 0.00 WT4 H ATOM 50961 H2 TIP3 7104 7.937 -8.752 -4.226 1.00 0.00 WT4 H ATOM 50962 OH2 TIP3 7121 3.255 2.734 -3.106 1.00 0.00 WT4 O ATOM 50963 H1 TIP3 7121 5.536 3.100 -10.200 1.00 0.00 WT4 H ATOM 50964 H2 TIP3 7121 -3.370 9.736 12.740 1.00 0.00 WT4 H ATOM 50965 OH2 TIP3 7122 -0.314 -0.018 3.134 1.00 0.00 WT4 O ATOM 50966 H1 TIP3 7122 2.204 1.409 20.306 1.00 0.00 WT4 H ATOM 50967 H2 TIP3 7122 15.755 11.778 0.164 1.00 0.00 WT4 H ATOM 50968 OH2 TIP3 7123 1.170 -2.318 -0.990 1.00 0.00 WT4 O ATOM 50969 H1 TIP3 7123 3.414 10.424 12.740 1.00 0.00 WT4 H ATOM 50970 H2 TIP3 7123 10.743 -3.674 -14.631 1.00 0.00 WT4 H ATOM 50971 OH2 TIP3 7128 -2.096 0.294 -4.217 1.00 0.00 WT4 O ATOM 50972 H1 TIP3 7128 -10.115 8.201 -1.757 1.00 0.00 WT4 H ATOM 50973 H2 TIP3 7128 2.958 -2.565 -7.996 1.00 0.00 WT4 H ATOM 50974 OH2 TIP3 7141 3.289 2.532 2.618 1.00 0.00 WT4 O ATOM 50975 H1 TIP3 7141 5.917 2.782 10.596 1.00 0.00 WT4 H ATOM 50976 H2 TIP3 7141 -15.235 -5.018 -13.463 1.00 0.00 WT4 H ATOM 50977 OH2 TIP3 7142 5.215 0.217 2.415 1.00 0.00 WT4 O ATOM 50978 H1 TIP3 7142 25.403 18.353 3.706 1.00 0.00 WT4 H ATOM 50979 H2 TIP3 7142 -0.621 4.424 -1.714 1.00 0.00 WT4 H ATOM 50980 OH2 TIP3 7143 -0.527 8.087 -3.182 1.00 0.00 WT4 O ATOM 50981 H1 TIP3 7143 -0.191 14.450 0.585 1.00 0.00 WT4 H ATOM 50982 H2 TIP3 7143 0.256 -12.973 8.928 1.00 0.00 WT4 H ATOM 50983 OH2 TIP3 7144 0.376 1.477 7.919 1.00 0.00 WT4 O ATOM 50984 H1 TIP3 7144 -8.740 -31.653 2.945 1.00 0.00 WT4 H ATOM 50985 H2 TIP3 7144 -26.715 -13.861 2.867 1.00 0.00 WT4 H ATOM 50986 OH2 TIP3 7145 0.869 -6.021 1.938 1.00 0.00 WT4 O ATOM 50987 H1 TIP3 7145 2.126 2.535 -11.071 1.00 0.00 WT4 H ATOM 50988 H2 TIP3 7145 2.064 3.499 4.089 1.00 0.00 WT4 H ATOM 50989 OH2 TIP3 7146 4.052 1.806 -0.559 1.00 0.00 WT4 O ATOM 50990 H1 TIP3 7146 7.212 -12.855 -22.071 1.00 0.00 WT4 H ATOM 50991 H2 TIP3 7146 8.395 2.271 -3.773 1.00 0.00 WT4 H ATOM 50992 OH2 TIP3 7147 -1.101 -2.776 1.425 1.00 0.00 WT4 O ATOM 50993 H1 TIP3 7147 1.459 -1.061 -24.916 1.00 0.00 WT4 H ATOM 50994 H2 TIP3 7147 1.865 -1.956 -3.703 1.00 0.00 WT4 H ATOM 50995 OH2 TIP3 7148 7.187 -2.449 -2.700 1.00 0.00 WT4 O ATOM 50996 H1 TIP3 7148 11.739 -3.726 -6.948 1.00 0.00 WT4 H ATOM 50997 H2 TIP3 7148 12.532 7.937 -3.603 1.00 0.00 WT4 H ATOM 50998 OH2 TIP3 7161 7.175 -3.233 -4.500 1.00 0.00 WT4 O ATOM 50999 H1 TIP3 7161 15.399 0.824 -7.273 1.00 0.00 WT4 H ATOM 51000 H2 TIP3 7161 2.731 7.072 -2.426 1.00 0.00 WT4 H ATOM 51001 OH2 TIP3 7166 0.131 1.726 -3.830 1.00 0.00 WT4 O ATOM 51002 H1 TIP3 7166 3.693 0.037 -6.713 1.00 0.00 WT4 H ATOM 51003 H2 TIP3 7166 -4.628 0.364 -15.382 1.00 0.00 WT4 H ATOM 51004 OH2 TIP3 7181 5.763 -0.362 3.589 1.00 0.00 WT4 O ATOM 51005 H1 TIP3 7181 13.096 -0.807 22.238 1.00 0.00 WT4 H ATOM 51006 H2 TIP3 7181 3.546 5.293 -9.150 1.00 0.00 WT4 H ATOM 51007 OH2 TIP3 7182 -1.596 -2.376 5.997 1.00 0.00 WT4 O ATOM 51008 H1 TIP3 7182 0.804 -23.992 -10.642 1.00 0.00 WT4 H ATOM 51009 H2 TIP3 7182 14.445 9.529 -2.253 1.00 0.00 WT4 H ATOM 51010 OH2 TIP3 7183 -3.635 -2.918 5.616 1.00 0.00 WT4 O ATOM 51011 H1 TIP3 7183 0.250 -13.239 2.466 1.00 0.00 WT4 H ATOM 51012 H2 TIP3 7183 11.424 -3.692 4.225 1.00 0.00 WT4 H ATOM 51013 OH2 TIP3 7184 -10.290 2.295 -3.245 1.00 0.00 WT4 O ATOM 51014 H1 TIP3 7184 -3.647 -11.572 -19.862 1.00 0.00 WT4 H ATOM 51015 H2 TIP3 7184 1.055 1.053 17.309 1.00 0.00 WT4 H ATOM 51016 OH2 TIP3 7185 4.748 -0.967 -5.483 1.00 0.00 WT4 O ATOM 51017 H1 TIP3 7185 11.784 17.317 -2.049 1.00 0.00 WT4 H ATOM 51018 H2 TIP3 7185 23.853 -17.839 -8.174 1.00 0.00 WT4 H ATOM 51019 OH2 TIP3 7186 -6.309 -3.063 -0.271 1.00 0.00 WT4 O ATOM 51020 H1 TIP3 7186 -6.061 -4.174 2.681 1.00 0.00 WT4 H ATOM 51021 H2 TIP3 7186 -18.729 1.627 0.206 1.00 0.00 WT4 H ATOM 51022 OH2 TIP3 7187 -0.934 3.972 -1.642 1.00 0.00 WT4 O ATOM 51023 H1 TIP3 7187 0.586 0.621 0.805 1.00 0.00 WT4 H ATOM 51024 H2 TIP3 7187 4.841 -25.048 -6.466 1.00 0.00 WT4 H ATOM 51025 OH2 TIP3 7189 2.951 -3.861 2.534 1.00 0.00 WT4 O ATOM 51026 H1 TIP3 7189 15.661 10.944 -0.101 1.00 0.00 WT4 H ATOM 51027 H2 TIP3 7189 -9.735 23.914 -6.363 1.00 0.00 WT4 H ATOM 51028 OH2 TIP3 7200 -0.905 -1.129 -2.998 1.00 0.00 WT4 O ATOM 51029 H1 TIP3 7200 7.334 -19.528 7.219 1.00 0.00 WT4 H ATOM 51030 H2 TIP3 7200 -26.295 11.729 7.059 1.00 0.00 WT4 H ATOM 51031 OH2 TIP3 7203 -0.566 2.959 -2.356 1.00 0.00 WT4 O ATOM 51032 H1 TIP3 7203 -8.907 -2.377 -4.168 1.00 0.00 WT4 H ATOM 51033 H2 TIP3 7203 -10.558 -0.304 7.076 1.00 0.00 WT4 H ATOM 51034 OH2 TIP3 7206 -0.386 5.869 -0.412 1.00 0.00 WT4 O ATOM 51035 H1 TIP3 7206 -3.602 18.289 17.539 1.00 0.00 WT4 H ATOM 51036 H2 TIP3 7206 -5.079 7.538 8.496 1.00 0.00 WT4 H ATOM 51037 OH2 TIP3 7209 -7.320 0.117 -3.655 1.00 0.00 WT4 O ATOM 51038 H1 TIP3 7209 -7.418 4.576 11.636 1.00 0.00 WT4 H ATOM 51039 H2 TIP3 7209 -7.617 -0.297 -11.695 1.00 0.00 WT4 H ATOM 51040 OH2 TIP3 7210 -7.022 2.041 1.625 1.00 0.00 WT4 O ATOM 51041 H1 TIP3 7210 2.681 11.719 -10.372 1.00 0.00 WT4 H ATOM 51042 H2 TIP3 7210 -7.288 9.254 -13.642 1.00 0.00 WT4 H ATOM 51043 OH2 TIP3 7211 -0.467 -1.389 -4.280 1.00 0.00 WT4 O ATOM 51044 H1 TIP3 7211 5.492 -9.398 -0.925 1.00 0.00 WT4 H ATOM 51045 H2 TIP3 7211 12.229 -16.337 6.356 1.00 0.00 WT4 H ATOM 51046 OH2 TIP3 7213 4.609 -2.476 -4.022 1.00 0.00 WT4 O ATOM 51047 H1 TIP3 7213 5.323 -1.772 -3.007 1.00 0.00 WT4 H ATOM 51048 H2 TIP3 7213 -5.530 -4.999 -12.408 1.00 0.00 WT4 H ATOM 51049 OH2 TIP3 7222 2.855 -5.184 2.971 1.00 0.00 WT4 O ATOM 51050 H1 TIP3 7222 4.400 12.393 15.780 1.00 0.00 WT4 H ATOM 51051 H2 TIP3 7222 -14.116 -10.171 -0.809 1.00 0.00 WT4 H ATOM 51052 OH2 TIP3 7227 2.576 -3.828 1.632 1.00 0.00 WT4 O ATOM 51053 H1 TIP3 7227 -28.573 -3.751 -1.835 1.00 0.00 WT4 H ATOM 51054 H2 TIP3 7227 5.305 0.978 -25.578 1.00 0.00 WT4 H ATOM 51055 OH2 TIP3 7228 2.741 0.831 2.513 1.00 0.00 WT4 O ATOM 51056 H1 TIP3 7228 6.201 -10.861 -5.237 1.00 0.00 WT4 H ATOM 51057 H2 TIP3 7228 -14.697 11.332 -4.847 1.00 0.00 WT4 H ATOM 51058 OH2 TIP3 7229 -2.021 -6.280 1.481 1.00 0.00 WT4 O ATOM 51059 H1 TIP3 7229 0.482 -2.697 -3.472 1.00 0.00 WT4 H ATOM 51060 H2 TIP3 7229 6.603 -0.269 -0.549 1.00 0.00 WT4 H ATOM 51061 OH2 TIP3 7230 -0.033 6.486 3.987 1.00 0.00 WT4 O ATOM 51062 H1 TIP3 7230 2.589 -9.812 24.802 1.00 0.00 WT4 H ATOM 51063 H2 TIP3 7230 -1.968 14.795 -13.164 1.00 0.00 WT4 H ATOM 51064 OH2 TIP3 7247 0.349 1.087 0.354 1.00 0.00 WT4 O ATOM 51065 H1 TIP3 7247 -5.401 -3.978 -0.423 1.00 0.00 WT4 H ATOM 51066 H2 TIP3 7247 1.660 12.528 -5.399 1.00 0.00 WT4 H ATOM 51067 OH2 TIP3 7248 0.025 4.075 8.814 1.00 0.00 WT4 O ATOM 51068 H1 TIP3 7248 7.036 5.755 5.819 1.00 0.00 WT4 H ATOM 51069 H2 TIP3 7248 -1.675 -2.195 6.531 1.00 0.00 WT4 H ATOM 51070 OH2 TIP3 7249 -2.449 -0.715 -4.675 1.00 0.00 WT4 O ATOM 51071 H1 TIP3 7249 -11.282 -32.222 8.797 1.00 0.00 WT4 H ATOM 51072 H2 TIP3 7249 3.124 -6.818 -1.327 1.00 0.00 WT4 H ATOM 51073 OH2 TIP3 7250 -2.659 5.380 2.538 1.00 0.00 WT4 O ATOM 51074 H1 TIP3 7250 6.591 5.171 12.573 1.00 0.00 WT4 H ATOM 51075 H2 TIP3 7250 -3.307 0.543 -2.152 1.00 0.00 WT4 H ATOM 51076 OH2 TIP3 7253 2.325 -4.460 0.065 1.00 0.00 WT4 O ATOM 51077 H1 TIP3 7253 7.711 -2.639 0.876 1.00 0.00 WT4 H ATOM 51078 H2 TIP3 7253 -20.899 -3.638 0.980 1.00 0.00 WT4 H ATOM 51079 OH2 TIP3 7254 -8.228 -0.066 -5.712 1.00 0.00 WT4 O ATOM 51080 H1 TIP3 7254 -24.402 -6.911 0.993 1.00 0.00 WT4 H ATOM 51081 H2 TIP3 7254 14.511 10.001 -9.301 1.00 0.00 WT4 H ATOM 51082 OH2 TIP3 7264 2.671 -1.714 -2.265 1.00 0.00 WT4 O ATOM 51083 H1 TIP3 7264 -10.812 15.461 -2.380 1.00 0.00 WT4 H ATOM 51084 H2 TIP3 7264 8.533 1.936 2.785 1.00 0.00 WT4 H ATOM 51085 OH2 TIP3 7267 -0.651 0.325 6.675 1.00 0.00 WT4 O ATOM 51086 H1 TIP3 7267 -20.524 -2.072 -15.329 1.00 0.00 WT4 H ATOM 51087 H2 TIP3 7267 -10.827 3.967 -0.937 1.00 0.00 WT4 H ATOM 51088 OH2 TIP3 7270 3.043 -3.586 8.531 1.00 0.00 WT4 O ATOM 51089 H1 TIP3 7270 5.745 9.695 7.169 1.00 0.00 WT4 H ATOM 51090 H2 TIP3 7270 1.249 13.634 0.644 1.00 0.00 WT4 H ATOM 51091 OH2 TIP3 7311 -6.536 -0.939 -1.151 1.00 0.00 WT4 O ATOM 51092 H1 TIP3 7311 -7.606 8.953 -1.367 1.00 0.00 WT4 H ATOM 51093 H2 TIP3 7311 -8.081 10.007 0.576 1.00 0.00 WT4 H ATOM 51094 OH2 TIP3 7312 3.371 3.877 -7.026 1.00 0.00 WT4 O ATOM 51095 H1 TIP3 7312 1.821 5.492 16.994 1.00 0.00 WT4 H ATOM 51096 H2 TIP3 7312 5.688 5.777 14.279 1.00 0.00 WT4 H ATOM 51097 OH2 TIP3 7415 -4.062 0.997 3.112 1.00 0.00 WT4 O ATOM 51098 H1 TIP3 7415 10.468 -23.522 -3.599 1.00 0.00 WT4 H ATOM 51099 H2 TIP3 7415 22.951 21.879 0.716 1.00 0.00 WT4 H ATOM 51100 OH2 TIP3 7418 -0.109 1.386 4.903 1.00 0.00 WT4 O ATOM 51101 H1 TIP3 7418 -12.759 7.219 19.856 1.00 0.00 WT4 H ATOM 51102 H2 TIP3 7418 14.672 -7.306 -15.418 1.00 0.00 WT4 H ATOM 51103 OH2 TIP3 7435 3.893 1.770 2.967 1.00 0.00 WT4 O ATOM 51104 H1 TIP3 7435 23.040 -10.136 -5.951 1.00 0.00 WT4 H ATOM 51105 H2 TIP3 7435 8.784 4.030 15.689 1.00 0.00 WT4 H ATOM 51106 OH2 TIP3 7437 1.969 4.414 -2.871 1.00 0.00 WT4 O ATOM 51107 H1 TIP3 7437 -5.556 8.299 -12.074 1.00 0.00 WT4 H ATOM 51108 H2 TIP3 7437 2.326 -7.054 4.631 1.00 0.00 WT4 H ATOM 51109 OH2 TIP3 7439 -2.874 -3.785 5.345 1.00 0.00 WT4 O ATOM 51110 H1 TIP3 7439 10.203 24.091 10.213 1.00 0.00 WT4 H ATOM 51111 H2 TIP3 7439 33.153 -7.941 -31.653 1.00 0.00 WT4 H ATOM 51112 OH2 TIP3 7455 -0.825 -2.126 -1.848 1.00 0.00 WT4 O ATOM 51113 H1 TIP3 7455 6.476 16.366 -25.380 1.00 0.00 WT4 H ATOM 51114 H2 TIP3 7455 -23.298 32.325 -10.291 1.00 0.00 WT4 H ATOM 51115 OH2 TIP3 7461 7.826 -2.354 -6.901 1.00 0.00 WT4 O ATOM 51116 H1 TIP3 7461 -0.775 -10.223 -17.753 1.00 0.00 WT4 H ATOM 51117 H2 TIP3 7461 16.524 -14.073 -4.965 1.00 0.00 WT4 H ATOM 51118 OH2 TIP3 7479 1.179 -1.905 -1.872 1.00 0.00 WT4 O ATOM 51119 H1 TIP3 7479 2.979 -2.563 4.569 1.00 0.00 WT4 H ATOM 51120 H2 TIP3 7479 -1.976 -4.261 -6.923 1.00 0.00 WT4 H ATOM 51121 OH2 TIP3 7480 -1.320 2.258 1.679 1.00 0.00 WT4 O ATOM 51122 H1 TIP3 7480 15.035 5.966 12.728 1.00 0.00 WT4 H ATOM 51123 H2 TIP3 7480 13.686 -21.589 -2.954 1.00 0.00 WT4 H ATOM 51124 OH2 TIP3 7481 1.314 3.112 -6.399 1.00 0.00 WT4 O ATOM 51125 H1 TIP3 7481 1.122 7.941 -14.819 1.00 0.00 WT4 H ATOM 51126 H2 TIP3 7481 0.197 -2.644 -2.655 1.00 0.00 WT4 H ATOM 51127 OH2 TIP3 7493 3.627 3.929 -1.392 1.00 0.00 WT4 O ATOM 51128 H1 TIP3 7493 -18.664 -6.077 20.313 1.00 0.00 WT4 H ATOM 51129 H2 TIP3 7493 -16.965 18.193 -27.137 1.00 0.00 WT4 H ATOM 51130 OH2 TIP3 7498 3.624 2.967 -1.696 1.00 0.00 WT4 O ATOM 51131 H1 TIP3 7498 1.468 -3.207 -10.346 1.00 0.00 WT4 H ATOM 51132 H2 TIP3 7498 3.800 4.222 0.224 1.00 0.00 WT4 H ATOM 51133 OH2 TIP3 7500 -1.501 -6.017 3.660 1.00 0.00 WT4 O ATOM 51134 H1 TIP3 7500 -5.105 -9.689 3.218 1.00 0.00 WT4 H ATOM 51135 H2 TIP3 7500 -1.064 -5.182 4.362 1.00 0.00 WT4 H ATOM 51136 OH2 TIP3 7501 5.177 0.509 -8.734 1.00 0.00 WT4 O ATOM 51137 H1 TIP3 7501 6.066 -1.781 -15.451 1.00 0.00 WT4 H ATOM 51138 H2 TIP3 7501 0.757 -12.894 -12.867 1.00 0.00 WT4 H ATOM 51139 OH2 TIP3 7503 -3.651 3.448 -2.437 1.00 0.00 WT4 O ATOM 51140 H1 TIP3 7503 20.348 -11.124 10.508 1.00 0.00 WT4 H ATOM 51141 H2 TIP3 7503 16.193 -7.741 9.797 1.00 0.00 WT4 H ATOM 51142 OH2 TIP3 7504 4.289 -3.656 -0.281 1.00 0.00 WT4 O ATOM 51143 H1 TIP3 7504 16.544 34.534 -0.999 1.00 0.00 WT4 H ATOM 51144 H2 TIP3 7504 18.847 21.644 5.383 1.00 0.00 WT4 H ATOM 51145 OH2 TIP3 7510 -8.459 6.193 -3.166 1.00 0.00 WT4 O ATOM 51146 H1 TIP3 7510 5.889 36.077 12.932 1.00 0.00 WT4 H ATOM 51147 H2 TIP3 7510 -29.158 -3.435 -13.353 1.00 0.00 WT4 H ATOM 51148 OH2 TIP3 7519 6.917 3.386 -0.713 1.00 0.00 WT4 O ATOM 51149 H1 TIP3 7519 3.771 3.868 -2.709 1.00 0.00 WT4 H ATOM 51150 H2 TIP3 7519 11.820 1.680 -6.156 1.00 0.00 WT4 H ATOM 51151 OH2 TIP3 7522 -5.177 2.286 -7.732 1.00 0.00 WT4 O ATOM 51152 H1 TIP3 7522 2.454 -0.494 -20.288 1.00 0.00 WT4 H ATOM 51153 H2 TIP3 7522 0.730 -30.708 -2.840 1.00 0.00 WT4 H ATOM 51154 OH2 TIP3 7523 1.684 -6.294 -1.594 1.00 0.00 WT4 O ATOM 51155 H1 TIP3 7523 -7.820 5.310 -12.314 1.00 0.00 WT4 H ATOM 51156 H2 TIP3 7523 -3.054 -22.891 -1.538 1.00 0.00 WT4 H ATOM 51157 OH2 TIP3 7525 2.769 0.214 -0.214 1.00 0.00 WT4 O ATOM 51158 H1 TIP3 7525 15.381 -9.699 23.837 1.00 0.00 WT4 H ATOM 51159 H2 TIP3 7525 -21.168 2.939 -6.353 1.00 0.00 WT4 H ATOM 51160 OH2 TIP3 7526 -1.943 0.325 -8.060 1.00 0.00 WT4 O ATOM 51161 H1 TIP3 7526 -6.262 -3.107 -2.717 1.00 0.00 WT4 H ATOM 51162 H2 TIP3 7526 -0.329 -13.963 -20.326 1.00 0.00 WT4 H ATOM 51163 OH2 TIP3 7541 9.882 -2.229 -2.986 1.00 0.00 WT4 O ATOM 51164 H1 TIP3 7541 2.799 -6.208 9.871 1.00 0.00 WT4 H ATOM 51165 H2 TIP3 7541 3.169 5.404 -13.786 1.00 0.00 WT4 H ATOM 51166 OH2 TIP3 7544 1.048 3.029 -1.297 1.00 0.00 WT4 O ATOM 51167 H1 TIP3 7544 -6.639 7.815 -2.890 1.00 0.00 WT4 H ATOM 51168 H2 TIP3 7544 6.250 0.980 3.827 1.00 0.00 WT4 H ATOM 51169 OH2 TIP3 7545 1.978 -8.451 4.379 1.00 0.00 WT4 O ATOM 51170 H1 TIP3 7545 -10.851 -10.517 -16.738 1.00 0.00 WT4 H ATOM 51171 H2 TIP3 7545 -6.877 8.417 -24.378 1.00 0.00 WT4 H ATOM 51172 OH2 TIP3 7559 -2.118 5.891 -3.272 1.00 0.00 WT4 O ATOM 51173 H1 TIP3 7559 -1.360 -13.150 -19.713 1.00 0.00 WT4 H ATOM 51174 H2 TIP3 7559 -5.083 -2.854 -12.893 1.00 0.00 WT4 H ATOM 51175 OH2 TIP3 7561 -1.779 2.647 3.029 1.00 0.00 WT4 O ATOM 51176 H1 TIP3 7561 -3.335 -2.571 -14.105 1.00 0.00 WT4 H ATOM 51177 H2 TIP3 7561 11.972 -18.675 -12.177 1.00 0.00 WT4 H ATOM 51178 OH2 TIP3 7563 -3.507 2.621 1.602 1.00 0.00 WT4 O ATOM 51179 H1 TIP3 7563 -1.184 2.740 -7.607 1.00 0.00 WT4 H ATOM 51180 H2 TIP3 7563 -12.386 -0.997 1.786 1.00 0.00 WT4 H ATOM 51181 OH2 TIP3 7564 4.580 -3.242 6.028 1.00 0.00 WT4 O ATOM 51182 H1 TIP3 7564 -21.819 -6.640 20.360 1.00 0.00 WT4 H ATOM 51183 H2 TIP3 7564 -6.060 -12.611 -9.757 1.00 0.00 WT4 H ATOM 51184 OH2 TIP3 7567 -2.217 -1.674 -4.621 1.00 0.00 WT4 O ATOM 51185 H1 TIP3 7567 2.265 -18.563 -1.146 1.00 0.00 WT4 H ATOM 51186 H2 TIP3 7567 -3.973 3.685 -29.843 1.00 0.00 WT4 H ATOM 51187 OH2 TIP3 7582 -2.238 -4.292 1.770 1.00 0.00 WT4 O ATOM 51188 H1 TIP3 7582 2.721 -2.923 -7.051 1.00 0.00 WT4 H ATOM 51189 H2 TIP3 7582 -1.068 -1.404 5.712 1.00 0.00 WT4 H ATOM 51190 OH2 TIP3 7584 -2.025 -4.716 0.833 1.00 0.00 WT4 O ATOM 51191 H1 TIP3 7584 -4.999 -9.466 3.822 1.00 0.00 WT4 H ATOM 51192 H2 TIP3 7584 4.487 -4.234 3.342 1.00 0.00 WT4 H ATOM 51193 OH2 TIP3 7586 3.871 -4.638 -0.126 1.00 0.00 WT4 O ATOM 51194 H1 TIP3 7586 20.640 11.611 2.486 1.00 0.00 WT4 H ATOM 51195 H2 TIP3 7586 16.278 -9.180 8.558 1.00 0.00 WT4 H ATOM 51196 OH2 TIP3 7594 5.190 4.123 0.529 1.00 0.00 WT4 O ATOM 51197 H1 TIP3 7594 5.822 5.498 1.884 1.00 0.00 WT4 H ATOM 51198 H2 TIP3 7594 4.659 4.177 -5.679 1.00 0.00 WT4 H ATOM 51199 OH2 TIP3 7602 -6.102 -0.127 4.515 1.00 0.00 WT4 O ATOM 51200 H1 TIP3 7602 -11.925 0.679 12.437 1.00 0.00 WT4 H ATOM 51201 H2 TIP3 7602 -9.549 8.656 -0.314 1.00 0.00 WT4 H ATOM 51202 OH2 TIP3 7605 -2.667 2.929 7.990 1.00 0.00 WT4 O ATOM 51203 H1 TIP3 7605 0.088 -6.818 12.482 1.00 0.00 WT4 H ATOM 51204 H2 TIP3 7605 -1.435 -0.737 8.476 1.00 0.00 WT4 H ATOM 51205 OH2 TIP3 7608 4.351 -0.288 -0.134 1.00 0.00 WT4 O ATOM 51206 H1 TIP3 7608 -4.094 17.034 -2.334 1.00 0.00 WT4 H ATOM 51207 H2 TIP3 7608 -7.044 4.819 7.145 1.00 0.00 WT4 H ATOM 51208 OH2 TIP3 7612 -1.131 -2.449 0.371 1.00 0.00 WT4 O ATOM 51209 H1 TIP3 7612 2.549 -1.759 2.338 1.00 0.00 WT4 H ATOM 51210 H2 TIP3 7612 3.715 -4.600 4.922 1.00 0.00 WT4 H ATOM 51211 OH2 TIP3 7625 1.471 2.539 -3.999 1.00 0.00 WT4 O ATOM 51212 H1 TIP3 7625 -2.040 -6.912 -2.120 1.00 0.00 WT4 H ATOM 51213 H2 TIP3 7625 -4.426 -5.761 -2.893 1.00 0.00 WT4 H ATOM 51214 OH2 TIP3 7626 1.297 -2.264 4.364 1.00 0.00 WT4 O ATOM 51215 H1 TIP3 7626 4.006 -0.267 2.205 1.00 0.00 WT4 H ATOM 51216 H2 TIP3 7626 0.335 -6.004 3.155 1.00 0.00 WT4 H ATOM 51217 OH2 TIP3 7628 0.207 -1.736 0.241 1.00 0.00 WT4 O ATOM 51218 H1 TIP3 7628 -7.186 2.854 15.080 1.00 0.00 WT4 H ATOM 51219 H2 TIP3 7628 8.393 -6.878 -17.838 1.00 0.00 WT4 H ATOM 51220 OH2 TIP3 7629 -0.200 -7.871 0.336 1.00 0.00 WT4 O ATOM 51221 H1 TIP3 7629 28.908 12.205 -16.560 1.00 0.00 WT4 H ATOM 51222 H2 TIP3 7629 8.900 0.531 1.460 1.00 0.00 WT4 H ATOM 51223 OH2 TIP3 7630 3.869 8.523 2.981 1.00 0.00 WT4 O ATOM 51224 H1 TIP3 7630 -16.315 34.335 -16.704 1.00 0.00 WT4 H ATOM 51225 H2 TIP3 7630 3.457 -9.073 -0.522 1.00 0.00 WT4 H ATOM 51226 OH2 TIP3 7631 -4.252 0.766 0.075 1.00 0.00 WT4 O ATOM 51227 H1 TIP3 7631 -11.259 35.943 15.019 1.00 0.00 WT4 H ATOM 51228 H2 TIP3 7631 2.436 -1.740 15.789 1.00 0.00 WT4 H ATOM 51229 OH2 TIP3 7643 -2.713 -2.279 2.107 1.00 0.00 WT4 O ATOM 51230 H1 TIP3 7643 -1.491 0.457 -11.128 1.00 0.00 WT4 H ATOM 51231 H2 TIP3 7643 -4.174 -3.041 4.280 1.00 0.00 WT4 H ATOM 51232 OH2 TIP3 7644 2.983 6.711 3.514 1.00 0.00 WT4 O ATOM 51233 H1 TIP3 7644 16.012 -6.318 5.541 1.00 0.00 WT4 H ATOM 51234 H2 TIP3 7644 -4.058 -0.920 -0.611 1.00 0.00 WT4 H ATOM 51235 OH2 TIP3 7645 -2.080 2.715 -2.285 1.00 0.00 WT4 O ATOM 51236 H1 TIP3 7645 0.307 4.699 -6.732 1.00 0.00 WT4 H ATOM 51237 H2 TIP3 7645 -13.917 -9.258 9.561 1.00 0.00 WT4 H ATOM 51238 OH2 TIP3 7646 -5.106 -5.306 1.007 1.00 0.00 WT4 O ATOM 51239 H1 TIP3 7646 16.971 17.967 6.951 1.00 0.00 WT4 H ATOM 51240 H2 TIP3 7646 -22.790 5.413 1.366 1.00 0.00 WT4 H ATOM 51241 OH2 TIP3 7647 7.982 -3.743 -2.045 1.00 0.00 WT4 O ATOM 51242 H1 TIP3 7647 -1.920 -2.284 -8.984 1.00 0.00 WT4 H ATOM 51243 H2 TIP3 7647 -3.969 8.381 -1.506 1.00 0.00 WT4 H ATOM 51244 OH2 TIP3 7649 -0.678 -0.252 -1.156 1.00 0.00 WT4 O ATOM 51245 H1 TIP3 7649 6.336 -0.361 -12.060 1.00 0.00 WT4 H ATOM 51246 H2 TIP3 7649 -17.008 -1.775 12.342 1.00 0.00 WT4 H ATOM 51247 OH2 TIP3 7650 -5.153 -6.175 0.772 1.00 0.00 WT4 O ATOM 51248 H1 TIP3 7650 -6.926 -9.377 -3.681 1.00 0.00 WT4 H ATOM 51249 H2 TIP3 7650 -6.135 -18.365 6.607 1.00 0.00 WT4 H ATOM 51250 OH2 TIP3 7652 1.920 -0.888 -0.241 1.00 0.00 WT4 O ATOM 51251 H1 TIP3 7652 19.841 -36.888 -11.002 1.00 0.00 WT4 H ATOM 51252 H2 TIP3 7652 -4.571 3.994 -4.285 1.00 0.00 WT4 H ATOM 51253 OH2 TIP3 7653 7.285 -6.209 1.216 1.00 0.00 WT4 O ATOM 51254 H1 TIP3 7653 3.212 -8.676 0.648 1.00 0.00 WT4 H ATOM 51255 H2 TIP3 7653 4.640 -10.072 2.789 1.00 0.00 WT4 H ATOM 51256 OH2 TIP3 7663 5.078 -3.452 -1.811 1.00 0.00 WT4 O ATOM 51257 H1 TIP3 7663 3.815 -6.788 -1.929 1.00 0.00 WT4 H ATOM 51258 H2 TIP3 7663 -4.025 -23.319 0.253 1.00 0.00 WT4 H ATOM 51259 OH2 TIP3 7668 3.260 6.263 -0.751 1.00 0.00 WT4 O ATOM 51260 H1 TIP3 7668 -9.056 8.204 -14.123 1.00 0.00 WT4 H ATOM 51261 H2 TIP3 7668 15.355 17.768 -4.271 1.00 0.00 WT4 H ATOM 51262 OH2 TIP3 7669 1.715 0.885 1.040 1.00 0.00 WT4 O ATOM 51263 H1 TIP3 7669 12.319 7.461 3.346 1.00 0.00 WT4 H ATOM 51264 H2 TIP3 7669 -12.154 -4.068 6.311 1.00 0.00 WT4 H ATOM 51265 OH2 TIP3 7670 7.695 1.742 -4.358 1.00 0.00 WT4 O ATOM 51266 H1 TIP3 7670 -5.324 -17.612 17.213 1.00 0.00 WT4 H ATOM 51267 H2 TIP3 7670 16.794 -8.046 27.468 1.00 0.00 WT4 H ATOM 51268 OH2 TIP3 7671 -6.077 5.196 1.303 1.00 0.00 WT4 O ATOM 51269 H1 TIP3 7671 31.473 -8.424 42.592 1.00 0.00 WT4 H ATOM 51270 H2 TIP3 7671 8.521 1.388 -3.587 1.00 0.00 WT4 H ATOM 51271 OH2 TIP3 7686 -0.626 1.293 -2.784 1.00 0.00 WT4 O ATOM 51272 H1 TIP3 7686 -8.379 5.584 9.409 1.00 0.00 WT4 H ATOM 51273 H2 TIP3 7686 -5.659 4.296 4.867 1.00 0.00 WT4 H ATOM 51274 OH2 TIP3 7690 2.947 -7.023 -4.435 1.00 0.00 WT4 O ATOM 51275 H1 TIP3 7690 8.299 1.447 -30.872 1.00 0.00 WT4 H ATOM 51276 H2 TIP3 7690 -3.856 -3.937 3.767 1.00 0.00 WT4 H ATOM 51277 OH2 TIP3 7691 -1.452 -3.848 1.576 1.00 0.00 WT4 O ATOM 51278 H1 TIP3 7691 8.129 -13.518 -7.072 1.00 0.00 WT4 H ATOM 51279 H2 TIP3 7691 22.393 -6.996 1.083 1.00 0.00 WT4 H ATOM 51280 OH2 TIP3 7694 -6.212 -2.604 0.945 1.00 0.00 WT4 O ATOM 51281 H1 TIP3 7694 -1.083 7.623 -3.306 1.00 0.00 WT4 H ATOM 51282 H2 TIP3 7694 -7.499 -12.936 -3.743 1.00 0.00 WT4 H ATOM 51283 OH2 TIP3 7695 4.201 -3.052 1.077 1.00 0.00 WT4 O ATOM 51284 H1 TIP3 7695 5.765 21.709 3.212 1.00 0.00 WT4 H ATOM 51285 H2 TIP3 7695 11.891 2.897 6.823 1.00 0.00 WT4 H ATOM 51286 OH2 TIP3 7696 0.685 0.140 -1.385 1.00 0.00 WT4 O ATOM 51287 H1 TIP3 7696 11.056 5.343 2.077 1.00 0.00 WT4 H ATOM 51288 H2 TIP3 7696 12.342 -9.295 -5.316 1.00 0.00 WT4 H ATOM 51289 OH2 TIP3 7698 -0.169 8.832 -1.768 1.00 0.00 WT4 O ATOM 51290 H1 TIP3 7698 -18.564 1.110 -13.258 1.00 0.00 WT4 H ATOM 51291 H2 TIP3 7698 -7.499 4.697 -28.155 1.00 0.00 WT4 H ATOM 51292 OH2 TIP3 7705 -2.050 -2.836 3.019 1.00 0.00 WT4 O ATOM 51293 H1 TIP3 7705 7.270 -2.375 -8.449 1.00 0.00 WT4 H ATOM 51294 H2 TIP3 7705 -16.573 5.150 -8.669 1.00 0.00 WT4 H ATOM 51295 OH2 TIP3 7707 3.415 1.616 -3.298 1.00 0.00 WT4 O ATOM 51296 H1 TIP3 7707 3.363 -1.582 -5.805 1.00 0.00 WT4 H ATOM 51297 H2 TIP3 7707 1.938 -8.766 -10.005 1.00 0.00 WT4 H ATOM 51298 OH2 TIP3 7708 -0.837 -1.602 -3.460 1.00 0.00 WT4 O ATOM 51299 H1 TIP3 7708 8.044 5.660 12.905 1.00 0.00 WT4 H ATOM 51300 H2 TIP3 7708 7.721 6.626 24.888 1.00 0.00 WT4 H ATOM 51301 OH2 TIP3 7710 4.611 4.331 -0.138 1.00 0.00 WT4 O ATOM 51302 H1 TIP3 7710 -10.330 9.595 6.451 1.00 0.00 WT4 H ATOM 51303 H2 TIP3 7710 -1.232 -3.139 -12.675 1.00 0.00 WT4 H ATOM 51304 OH2 TIP3 7712 -0.868 -1.021 0.182 1.00 0.00 WT4 O ATOM 51305 H1 TIP3 7712 -12.334 7.454 19.159 1.00 0.00 WT4 H ATOM 51306 H2 TIP3 7712 0.356 6.446 37.654 1.00 0.00 WT4 H ATOM 51307 OH2 TIP3 7713 2.876 -6.238 -2.060 1.00 0.00 WT4 O ATOM 51308 H1 TIP3 7713 17.847 5.570 20.130 1.00 0.00 WT4 H ATOM 51309 H2 TIP3 7713 -3.446 -11.395 -12.069 1.00 0.00 WT4 H ATOM 51310 OH2 TIP3 7716 -1.751 -5.061 -0.257 1.00 0.00 WT4 O ATOM 51311 H1 TIP3 7716 7.642 7.628 -30.042 1.00 0.00 WT4 H ATOM 51312 H2 TIP3 7716 -14.876 23.881 0.435 1.00 0.00 WT4 H ATOM 51313 OH2 TIP3 7734 4.507 8.590 -2.416 1.00 0.00 WT4 O ATOM 51314 H1 TIP3 7734 0.998 1.381 -4.961 1.00 0.00 WT4 H ATOM 51315 H2 TIP3 7734 -5.199 -20.741 -4.567 1.00 0.00 WT4 H ATOM 51316 OH2 TIP3 7735 2.643 -2.681 -4.576 1.00 0.00 WT4 O ATOM 51317 H1 TIP3 7735 3.714 -48.795 10.228 1.00 0.00 WT4 H ATOM 51318 H2 TIP3 7735 4.784 23.016 -13.354 1.00 0.00 WT4 H ATOM 51319 OH2 TIP3 7757 -3.259 -5.892 -0.531 1.00 0.00 WT4 O ATOM 51320 H1 TIP3 7757 -25.012 -18.949 0.353 1.00 0.00 WT4 H ATOM 51321 H2 TIP3 7757 20.490 9.224 -2.948 1.00 0.00 WT4 H ATOM 51322 OH2 TIP3 7791 -3.243 -3.848 -0.876 1.00 0.00 WT4 O ATOM 51323 H1 TIP3 7791 -8.960 9.623 3.847 1.00 0.00 WT4 H ATOM 51324 H2 TIP3 7791 28.113 -8.893 13.529 1.00 0.00 WT4 H ATOM 51325 OH2 TIP3 7872 0.297 -1.276 1.731 1.00 0.00 WT4 O ATOM 51326 H1 TIP3 7872 3.899 -2.062 1.770 1.00 0.00 WT4 H ATOM 51327 H2 TIP3 7872 -8.428 -2.963 0.744 1.00 0.00 WT4 H ATOM 51328 OH2 TIP3 7895 1.717 1.885 -0.507 1.00 0.00 WT4 O ATOM 51329 H1 TIP3 7895 21.051 -10.986 -2.844 1.00 0.00 WT4 H ATOM 51330 H2 TIP3 7895 12.880 -5.652 -2.331 1.00 0.00 WT4 H ATOM 51331 OH2 TIP3 7922 -0.346 -0.703 -2.825 1.00 0.00 WT4 O ATOM 51332 H1 TIP3 7922 4.553 0.484 -7.049 1.00 0.00 WT4 H ATOM 51333 H2 TIP3 7922 6.186 -8.943 -6.831 1.00 0.00 WT4 H ATOM 51334 OH2 TIP3 7933 3.626 -5.170 -0.919 1.00 0.00 WT4 O ATOM 51335 H1 TIP3 7933 1.087 8.507 -16.980 1.00 0.00 WT4 H ATOM 51336 H2 TIP3 7933 -1.315 -22.566 -16.877 1.00 0.00 WT4 H ATOM 51337 OH2 TIP3 7938 1.565 -4.049 -3.613 1.00 0.00 WT4 O ATOM 51338 H1 TIP3 7938 4.051 -7.105 -9.777 1.00 0.00 WT4 H ATOM 51339 H2 TIP3 7938 9.732 -16.810 -11.124 1.00 0.00 WT4 H ATOM 51340 OH2 TIP3 7939 -3.406 5.526 0.973 1.00 0.00 WT4 O ATOM 51341 H1 TIP3 7939 6.859 10.093 6.955 1.00 0.00 WT4 H ATOM 51342 H2 TIP3 7939 -0.711 4.353 8.156 1.00 0.00 WT4 H ATOM 51343 OH2 TIP3 7941 -1.570 0.903 0.480 1.00 0.00 WT4 O ATOM 51344 H1 TIP3 7941 -12.244 -4.057 6.845 1.00 0.00 WT4 H ATOM 51345 H2 TIP3 7941 -10.716 -1.630 2.757 1.00 0.00 WT4 H ATOM 51346 OH2 TIP3 7942 -8.496 -1.989 -3.561 1.00 0.00 WT4 O ATOM 51347 H1 TIP3 7942 4.903 -3.722 -1.970 1.00 0.00 WT4 H ATOM 51348 H2 TIP3 7942 18.593 -5.117 -1.822 1.00 0.00 WT4 H ATOM 51349 OH2 TIP3 7947 3.103 -0.931 3.204 1.00 0.00 WT4 O ATOM 51350 H1 TIP3 7947 -2.134 1.141 -11.208 1.00 0.00 WT4 H ATOM 51351 H2 TIP3 7947 10.817 -4.612 6.685 1.00 0.00 WT4 H ATOM 51352 OH2 TIP3 7949 2.640 -2.848 -3.562 1.00 0.00 WT4 O ATOM 51353 H1 TIP3 7949 -1.335 -12.323 6.559 1.00 0.00 WT4 H ATOM 51354 H2 TIP3 7949 7.833 2.728 -7.337 1.00 0.00 WT4 H ATOM 51355 OH2 TIP3 7961 2.453 3.945 -0.677 1.00 0.00 WT4 O ATOM 51356 H1 TIP3 7961 -1.710 -10.040 -12.412 1.00 0.00 WT4 H ATOM 51357 H2 TIP3 7961 -4.982 2.799 -9.766 1.00 0.00 WT4 H ATOM 51358 OH2 TIP3 7962 3.250 -6.483 0.868 1.00 0.00 WT4 O ATOM 51359 H1 TIP3 7962 -2.958 -0.751 9.415 1.00 0.00 WT4 H ATOM 51360 H2 TIP3 7962 20.775 -27.175 -25.245 1.00 0.00 WT4 H ATOM 51361 OH2 TIP3 7963 -1.166 8.055 3.350 1.00 0.00 WT4 O ATOM 51362 H1 TIP3 7963 6.320 -5.065 3.850 1.00 0.00 WT4 H ATOM 51363 H2 TIP3 7963 8.824 -3.304 -17.292 1.00 0.00 WT4 H ATOM 51364 OH2 TIP3 7964 7.251 -3.803 1.812 1.00 0.00 WT4 O ATOM 51365 H1 TIP3 7964 6.425 7.078 -13.341 1.00 0.00 WT4 H ATOM 51366 H2 TIP3 7964 12.759 -5.216 -7.662 1.00 0.00 WT4 H ATOM 51367 OH2 TIP3 7965 -8.296 -1.362 -0.742 1.00 0.00 WT4 O ATOM 51368 H1 TIP3 7965 9.765 6.541 -6.062 1.00 0.00 WT4 H ATOM 51369 H2 TIP3 7965 -21.224 14.616 5.275 1.00 0.00 WT4 H ATOM 51370 OH2 TIP3 7967 2.111 3.576 4.546 1.00 0.00 WT4 O ATOM 51371 H1 TIP3 7967 -5.444 15.881 -8.925 1.00 0.00 WT4 H ATOM 51372 H2 TIP3 7967 -5.894 3.898 0.873 1.00 0.00 WT4 H ATOM 51373 OH2 TIP3 7969 2.653 -0.153 0.383 1.00 0.00 WT4 O ATOM 51374 H1 TIP3 7969 0.314 -2.489 14.446 1.00 0.00 WT4 H ATOM 51375 H2 TIP3 7969 -2.074 10.850 -1.378 1.00 0.00 WT4 H ATOM 51376 OH2 TIP3 7981 -5.092 -4.266 -0.889 1.00 0.00 WT4 O ATOM 51377 H1 TIP3 7981 7.566 -13.128 7.960 1.00 0.00 WT4 H ATOM 51378 H2 TIP3 7981 34.101 13.527 6.304 1.00 0.00 WT4 H ATOM 51379 OH2 TIP3 7983 1.576 -4.817 0.823 1.00 0.00 WT4 O ATOM 51380 H1 TIP3 7983 0.003 -6.736 -0.772 1.00 0.00 WT4 H ATOM 51381 H2 TIP3 7983 -3.352 -7.736 -4.864 1.00 0.00 WT4 H ATOM 51382 OH2 TIP3 7984 -2.924 10.034 0.968 1.00 0.00 WT4 O ATOM 51383 H1 TIP3 7984 12.661 4.098 2.102 1.00 0.00 WT4 H ATOM 51384 H2 TIP3 7984 18.723 1.107 4.175 1.00 0.00 WT4 H ATOM 51385 OH2 TIP3 7985 2.013 3.056 6.799 1.00 0.00 WT4 O ATOM 51386 H1 TIP3 7985 -8.896 28.934 18.272 1.00 0.00 WT4 H ATOM 51387 H2 TIP3 7985 29.645 14.819 -8.795 1.00 0.00 WT4 H ATOM 51388 OH2 TIP3 7986 -3.667 -2.622 -3.020 1.00 0.00 WT4 O ATOM 51389 H1 TIP3 7986 -15.563 -13.547 -4.392 1.00 0.00 WT4 H ATOM 51390 H2 TIP3 7986 -4.309 3.513 3.389 1.00 0.00 WT4 H ATOM 51391 OH2 TIP3 7987 -4.779 1.357 1.581 1.00 0.00 WT4 O ATOM 51392 H1 TIP3 7987 20.777 -11.036 13.213 1.00 0.00 WT4 H ATOM 51393 H2 TIP3 7987 10.589 2.828 21.598 1.00 0.00 WT4 H ATOM 51394 OH2 TIP3 8003 4.397 0.385 -1.530 1.00 0.00 WT4 O ATOM 51395 H1 TIP3 8003 3.778 26.390 -16.304 1.00 0.00 WT4 H ATOM 51396 H2 TIP3 8003 -1.351 22.395 -4.901 1.00 0.00 WT4 H ATOM 51397 OH2 TIP3 8004 -1.642 2.619 -3.610 1.00 0.00 WT4 O ATOM 51398 H1 TIP3 8004 -2.814 6.276 1.208 1.00 0.00 WT4 H ATOM 51399 H2 TIP3 8004 -1.981 -3.226 -1.255 1.00 0.00 WT4 H ATOM 51400 OH2 TIP3 8005 -0.079 -0.317 4.184 1.00 0.00 WT4 O ATOM 51401 H1 TIP3 8005 16.834 29.345 -10.179 1.00 0.00 WT4 H ATOM 51402 H2 TIP3 8005 -8.220 3.863 12.263 1.00 0.00 WT4 H ATOM 51403 OH2 TIP3 8007 3.123 -2.041 -4.970 1.00 0.00 WT4 O ATOM 51404 H1 TIP3 8007 11.391 18.414 -16.078 1.00 0.00 WT4 H ATOM 51405 H2 TIP3 8007 -3.002 -14.210 0.612 1.00 0.00 WT4 H ATOM 51406 OH2 TIP3 8022 4.987 -4.244 2.881 1.00 0.00 WT4 O ATOM 51407 H1 TIP3 8022 2.700 -2.667 -6.045 1.00 0.00 WT4 H ATOM 51408 H2 TIP3 8022 -1.964 -0.338 -16.281 1.00 0.00 WT4 H ATOM 51409 OH2 TIP3 8024 0.982 -3.491 -1.896 1.00 0.00 WT4 O ATOM 51410 H1 TIP3 8024 -8.890 6.600 -4.055 1.00 0.00 WT4 H ATOM 51411 H2 TIP3 8024 5.360 -9.232 -2.073 1.00 0.00 WT4 H ATOM 51412 OH2 TIP3 8027 -0.172 2.873 -2.101 1.00 0.00 WT4 O ATOM 51413 H1 TIP3 8027 3.095 8.736 1.897 1.00 0.00 WT4 H ATOM 51414 H2 TIP3 8027 -6.922 -17.284 8.851 1.00 0.00 WT4 H ATOM 51415 OH2 TIP3 8029 8.693 2.831 4.264 1.00 0.00 WT4 O ATOM 51416 H1 TIP3 8029 -14.394 -0.886 -24.118 1.00 0.00 WT4 H ATOM 51417 H2 TIP3 8029 -16.398 -6.770 -5.065 1.00 0.00 WT4 H ATOM 51418 OH2 TIP3 8030 0.402 1.940 -0.303 1.00 0.00 WT4 O ATOM 51419 H1 TIP3 8030 -23.287 14.006 -9.219 1.00 0.00 WT4 H ATOM 51420 H2 TIP3 8030 14.439 18.503 1.446 1.00 0.00 WT4 H ATOM 51421 OH2 TIP3 8040 4.378 2.449 -5.544 1.00 0.00 WT4 O ATOM 51422 H1 TIP3 8040 -6.221 5.878 -6.408 1.00 0.00 WT4 H ATOM 51423 H2 TIP3 8040 0.141 10.715 2.493 1.00 0.00 WT4 H ATOM 51424 OH2 TIP3 8041 -1.168 -0.082 -2.479 1.00 0.00 WT4 O ATOM 51425 H1 TIP3 8041 -4.817 -6.881 -18.815 1.00 0.00 WT4 H ATOM 51426 H2 TIP3 8041 4.573 -0.018 -7.079 1.00 0.00 WT4 H ATOM 51427 OH2 TIP3 8045 1.565 3.380 -8.732 1.00 0.00 WT4 O ATOM 51428 H1 TIP3 8045 19.696 -20.734 -5.915 1.00 0.00 WT4 H ATOM 51429 H2 TIP3 8045 1.531 12.640 6.990 1.00 0.00 WT4 H ATOM 51430 OH2 TIP3 8046 -0.097 2.270 -1.037 1.00 0.00 WT4 O ATOM 51431 H1 TIP3 8046 -0.803 7.915 22.189 1.00 0.00 WT4 H ATOM 51432 H2 TIP3 8046 -11.813 -0.727 -9.967 1.00 0.00 WT4 H ATOM 51433 OH2 TIP3 8047 0.301 2.545 -6.773 1.00 0.00 WT4 O ATOM 51434 H1 TIP3 8047 9.073 5.508 -18.527 1.00 0.00 WT4 H ATOM 51435 H2 TIP3 8047 6.042 4.818 5.472 1.00 0.00 WT4 H ATOM 51436 OH2 TIP3 8052 1.367 -1.069 9.177 1.00 0.00 WT4 O ATOM 51437 H1 TIP3 8052 19.799 -13.172 4.744 1.00 0.00 WT4 H ATOM 51438 H2 TIP3 8052 9.119 -3.330 19.436 1.00 0.00 WT4 H ATOM 51439 OH2 TIP3 8063 5.692 -1.406 2.576 1.00 0.00 WT4 O ATOM 51440 H1 TIP3 8063 -9.149 3.342 8.404 1.00 0.00 WT4 H ATOM 51441 H2 TIP3 8063 11.381 -15.505 8.030 1.00 0.00 WT4 H ATOM 51442 OH2 TIP3 8064 -3.244 4.095 4.664 1.00 0.00 WT4 O ATOM 51443 H1 TIP3 8064 9.298 23.560 0.845 1.00 0.00 WT4 H ATOM 51444 H2 TIP3 8064 6.717 -7.631 8.774 1.00 0.00 WT4 H ATOM 51445 OH2 TIP3 8067 1.308 2.190 -2.304 1.00 0.00 WT4 O ATOM 51446 H1 TIP3 8067 -10.456 0.118 31.103 1.00 0.00 WT4 H ATOM 51447 H2 TIP3 8067 -10.832 -6.123 9.013 1.00 0.00 WT4 H ATOM 51448 OH2 TIP3 8068 0.091 -0.983 2.738 1.00 0.00 WT4 O ATOM 51449 H1 TIP3 8068 3.456 -7.881 -8.790 1.00 0.00 WT4 H ATOM 51450 H2 TIP3 8068 4.270 -1.155 2.862 1.00 0.00 WT4 H ATOM 51451 OH2 TIP3 8069 3.312 0.631 1.403 1.00 0.00 WT4 O ATOM 51452 H1 TIP3 8069 -1.964 7.540 -1.849 1.00 0.00 WT4 H ATOM 51453 H2 TIP3 8069 5.762 6.066 -38.521 1.00 0.00 WT4 H ATOM 51454 OH2 TIP3 8070 -6.977 -2.905 -3.389 1.00 0.00 WT4 O ATOM 51455 H1 TIP3 8070 -6.971 -3.012 0.062 1.00 0.00 WT4 H ATOM 51456 H2 TIP3 8070 -6.310 -0.307 -5.716 1.00 0.00 WT4 H ATOM 51457 OH2 TIP3 8071 1.060 -2.088 4.329 1.00 0.00 WT4 O ATOM 51458 H1 TIP3 8071 11.824 9.671 -0.009 1.00 0.00 WT4 H ATOM 51459 H2 TIP3 8071 -14.956 0.147 16.061 1.00 0.00 WT4 H ATOM 51460 OH2 TIP3 8075 3.040 6.662 -4.182 1.00 0.00 WT4 O ATOM 51461 H1 TIP3 8075 -4.948 3.133 -8.225 1.00 0.00 WT4 H ATOM 51462 H2 TIP3 8075 -4.457 -5.553 -7.524 1.00 0.00 WT4 H ATOM 51463 OH2 TIP3 8084 2.856 -6.184 -2.263 1.00 0.00 WT4 O ATOM 51464 H1 TIP3 8084 9.651 -2.864 -21.309 1.00 0.00 WT4 H ATOM 51465 H2 TIP3 8084 8.750 2.113 3.951 1.00 0.00 WT4 H ATOM 51466 OH2 TIP3 8085 -0.133 9.850 -1.428 1.00 0.00 WT4 O ATOM 51467 H1 TIP3 8085 -4.499 22.296 11.211 1.00 0.00 WT4 H ATOM 51468 H2 TIP3 8085 5.531 10.644 -11.498 1.00 0.00 WT4 H ATOM 51469 OH2 TIP3 8087 -2.268 -3.390 2.673 1.00 0.00 WT4 O ATOM 51470 H1 TIP3 8087 -12.429 12.911 4.205 1.00 0.00 WT4 H ATOM 51471 H2 TIP3 8087 7.662 -2.166 10.688 1.00 0.00 WT4 H ATOM 51472 OH2 TIP3 8088 6.199 3.983 -4.454 1.00 0.00 WT4 O ATOM 51473 H1 TIP3 8088 19.257 14.985 -6.301 1.00 0.00 WT4 H ATOM 51474 H2 TIP3 8088 7.430 -5.812 0.466 1.00 0.00 WT4 H ATOM 51475 OH2 TIP3 8089 -2.585 -1.944 -2.807 1.00 0.00 WT4 O ATOM 51476 H1 TIP3 8089 -7.296 -20.229 0.344 1.00 0.00 WT4 H ATOM 51477 H2 TIP3 8089 4.287 2.400 2.291 1.00 0.00 WT4 H ATOM 51478 OH2 TIP3 8091 0.398 2.948 -2.195 1.00 0.00 WT4 O ATOM 51479 H1 TIP3 8091 8.932 5.346 -13.280 1.00 0.00 WT4 H ATOM 51480 H2 TIP3 8091 3.303 4.751 -7.192 1.00 0.00 WT4 H ATOM 51481 OH2 TIP3 8092 2.267 1.821 0.307 1.00 0.00 WT4 O ATOM 51482 H1 TIP3 8092 5.604 4.866 -16.028 1.00 0.00 WT4 H ATOM 51483 H2 TIP3 8092 13.284 8.979 5.516 1.00 0.00 WT4 H ATOM 51484 OH2 TIP3 8093 2.983 -2.895 -0.268 1.00 0.00 WT4 O ATOM 51485 H1 TIP3 8093 3.875 -10.496 1.969 1.00 0.00 WT4 H ATOM 51486 H2 TIP3 8093 3.308 -7.002 0.815 1.00 0.00 WT4 H ATOM 51487 OH2 TIP3 8095 4.767 -3.361 6.651 1.00 0.00 WT4 O ATOM 51488 H1 TIP3 8095 -0.483 -1.548 7.104 1.00 0.00 WT4 H ATOM 51489 H2 TIP3 8095 13.000 -4.502 -0.749 1.00 0.00 WT4 H ATOM 51490 OH2 TIP3 8096 -0.271 1.239 2.692 1.00 0.00 WT4 O ATOM 51491 H1 TIP3 8096 -13.549 17.951 -22.263 1.00 0.00 WT4 H ATOM 51492 H2 TIP3 8096 -8.035 -19.002 7.071 1.00 0.00 WT4 H ATOM 51493 OH2 TIP3 8104 -1.934 3.433 -3.578 1.00 0.00 WT4 O ATOM 51494 H1 TIP3 8104 7.272 -6.713 -0.948 1.00 0.00 WT4 H ATOM 51495 H2 TIP3 8104 14.068 2.317 -16.602 1.00 0.00 WT4 H ATOM 51496 OH2 TIP3 8106 -1.627 -2.923 3.117 1.00 0.00 WT4 O ATOM 51497 H1 TIP3 8106 -2.499 3.251 7.020 1.00 0.00 WT4 H ATOM 51498 H2 TIP3 8106 -3.242 6.792 0.051 1.00 0.00 WT4 H ATOM 51499 OH2 TIP3 8107 -1.743 -1.525 -3.568 1.00 0.00 WT4 O ATOM 51500 H1 TIP3 8107 -4.218 -0.919 -2.399 1.00 0.00 WT4 H ATOM 51501 H2 TIP3 8107 1.315 -4.805 -4.911 1.00 0.00 WT4 H ATOM 51502 OH2 TIP3 8109 1.068 5.675 -3.008 1.00 0.00 WT4 O ATOM 51503 H1 TIP3 8109 -6.524 20.462 -7.928 1.00 0.00 WT4 H ATOM 51504 H2 TIP3 8109 8.688 -6.074 -4.211 1.00 0.00 WT4 H ATOM 51505 OH2 TIP3 8110 1.953 -5.846 0.306 1.00 0.00 WT4 O ATOM 51506 H1 TIP3 8110 1.428 4.762 3.757 1.00 0.00 WT4 H ATOM 51507 H2 TIP3 8110 -51.530 -26.440 -34.679 1.00 0.00 WT4 H ATOM 51508 OH2 TIP3 8111 -2.256 -2.147 -4.372 1.00 0.00 WT4 O ATOM 51509 H1 TIP3 8111 -4.917 -2.504 -0.485 1.00 0.00 WT4 H ATOM 51510 H2 TIP3 8111 -3.690 -5.398 -7.398 1.00 0.00 WT4 H ATOM 51511 OH2 TIP3 8112 1.512 -5.202 -4.351 1.00 0.00 WT4 O ATOM 51512 H1 TIP3 8112 21.889 1.287 5.889 1.00 0.00 WT4 H ATOM 51513 H2 TIP3 8112 5.510 6.948 -13.301 1.00 0.00 WT4 H ATOM 51514 OH2 TIP3 8113 -0.292 1.613 3.926 1.00 0.00 WT4 O ATOM 51515 H1 TIP3 8113 10.052 -12.268 20.710 1.00 0.00 WT4 H ATOM 51516 H2 TIP3 8113 12.078 21.352 11.548 1.00 0.00 WT4 H ATOM 51517 OH2 TIP3 8114 -0.307 3.033 -0.832 1.00 0.00 WT4 O ATOM 51518 H1 TIP3 8114 -10.332 1.455 4.083 1.00 0.00 WT4 H ATOM 51519 H2 TIP3 8114 0.116 6.374 -11.964 1.00 0.00 WT4 H ATOM 51520 OH2 TIP3 8129 -0.729 -1.472 5.709 1.00 0.00 WT4 O ATOM 51521 H1 TIP3 8129 8.487 -6.350 13.118 1.00 0.00 WT4 H ATOM 51522 H2 TIP3 8129 -5.843 2.678 12.861 1.00 0.00 WT4 H ATOM 51523 OH2 TIP3 8135 1.862 -4.432 -0.721 1.00 0.00 WT4 O ATOM 51524 H1 TIP3 8135 14.151 -12.945 4.422 1.00 0.00 WT4 H ATOM 51525 H2 TIP3 8135 4.662 -11.581 -19.090 1.00 0.00 WT4 H ATOM 51526 OH2 TIP3 8150 -3.253 1.166 -5.207 1.00 0.00 WT4 O ATOM 51527 H1 TIP3 8150 -1.170 -23.348 -17.340 1.00 0.00 WT4 H ATOM 51528 H2 TIP3 8150 -9.971 11.062 4.445 1.00 0.00 WT4 H ATOM 51529 OH2 TIP3 8154 -3.035 -6.522 -1.986 1.00 0.00 WT4 O ATOM 51530 H1 TIP3 8154 -17.048 -12.195 15.319 1.00 0.00 WT4 H ATOM 51531 H2 TIP3 8154 1.036 -5.122 -5.195 1.00 0.00 WT4 H ATOM 51532 OH2 TIP3 8155 -5.664 1.187 -2.593 1.00 0.00 WT4 O ATOM 51533 H1 TIP3 8155 -7.886 20.406 -6.415 1.00 0.00 WT4 H ATOM 51534 H2 TIP3 8155 15.747 -15.505 6.130 1.00 0.00 WT4 H ATOM 51535 OH2 TIP3 8159 -2.130 6.957 -1.983 1.00 0.00 WT4 O ATOM 51536 H1 TIP3 8159 -6.886 16.439 -14.949 1.00 0.00 WT4 H ATOM 51537 H2 TIP3 8159 16.046 -8.283 -21.218 1.00 0.00 WT4 H ATOM 51538 OH2 TIP3 8174 -4.016 -4.655 1.267 1.00 0.00 WT4 O ATOM 51539 H1 TIP3 8174 -17.338 -7.166 -0.436 1.00 0.00 WT4 H ATOM 51540 H2 TIP3 8174 0.354 3.926 3.616 1.00 0.00 WT4 H ATOM 51541 OH2 TIP3 8178 4.815 -3.211 -3.115 1.00 0.00 WT4 O ATOM 51542 H1 TIP3 8178 -4.558 7.920 -12.057 1.00 0.00 WT4 H ATOM 51543 H2 TIP3 8178 4.335 0.456 -14.157 1.00 0.00 WT4 H ATOM 51544 OH2 TIP3 8219 -0.087 0.922 0.753 1.00 0.00 WT4 O ATOM 51545 H1 TIP3 8219 -2.612 -5.399 -18.853 1.00 0.00 WT4 H ATOM 51546 H2 TIP3 8219 -19.917 -5.735 -12.853 1.00 0.00 WT4 H ATOM 51547 OH2 TIP3 8319 -1.747 1.960 -2.379 1.00 0.00 WT4 O ATOM 51548 H1 TIP3 8319 3.036 -3.135 9.463 1.00 0.00 WT4 H ATOM 51549 H2 TIP3 8319 -0.329 4.265 -1.269 1.00 0.00 WT4 H ATOM 51550 OH2 TIP3 8322 -0.347 7.497 3.904 1.00 0.00 WT4 O ATOM 51551 H1 TIP3 8322 -1.340 9.116 10.016 1.00 0.00 WT4 H ATOM 51552 H2 TIP3 8322 -0.242 6.399 -1.444 1.00 0.00 WT4 H ATOM 51553 OH2 TIP3 8324 3.437 -0.730 -6.493 1.00 0.00 WT4 O ATOM 51554 H1 TIP3 8324 16.858 -17.000 -14.065 1.00 0.00 WT4 H ATOM 51555 H2 TIP3 8324 -10.347 15.865 2.485 1.00 0.00 WT4 H ATOM 51556 OH2 TIP3 8339 7.311 -5.029 1.862 1.00 0.00 WT4 O ATOM 51557 H1 TIP3 8339 23.296 5.606 14.386 1.00 0.00 WT4 H ATOM 51558 H2 TIP3 8339 10.515 3.250 -20.405 1.00 0.00 WT4 H ATOM 51559 OH2 TIP3 8345 7.842 -2.142 -4.658 1.00 0.00 WT4 O ATOM 51560 H1 TIP3 8345 -2.189 2.208 -5.109 1.00 0.00 WT4 H ATOM 51561 H2 TIP3 8345 23.757 -8.746 -3.432 1.00 0.00 WT4 H ATOM 51562 OH2 TIP3 8364 -2.367 -0.831 2.960 1.00 0.00 WT4 O ATOM 51563 H1 TIP3 8364 -9.684 10.773 -2.128 1.00 0.00 WT4 H ATOM 51564 H2 TIP3 8364 -15.823 19.411 15.493 1.00 0.00 WT4 H ATOM 51565 OH2 TIP3 8365 2.606 -2.635 -2.508 1.00 0.00 WT4 O ATOM 51566 H1 TIP3 8365 42.105 41.971 -8.084 1.00 0.00 WT4 H ATOM 51567 H2 TIP3 8365 43.338 -30.264 7.889 1.00 0.00 WT4 H ATOM 51568 OH2 TIP3 8377 -1.171 -4.790 -3.423 1.00 0.00 WT4 O ATOM 51569 H1 TIP3 8377 14.412 -35.182 -15.186 1.00 0.00 WT4 H ATOM 51570 H2 TIP3 8377 15.373 -23.824 -3.220 1.00 0.00 WT4 H ATOM 51571 OH2 TIP3 8378 3.886 7.046 1.607 1.00 0.00 WT4 O ATOM 51572 H1 TIP3 8378 -19.296 10.205 -9.504 1.00 0.00 WT4 H ATOM 51573 H2 TIP3 8378 -27.611 2.618 -14.352 1.00 0.00 WT4 H ATOM 51574 OH2 TIP3 8381 5.718 -3.180 -2.507 1.00 0.00 WT4 O ATOM 51575 H1 TIP3 8381 5.002 -6.485 -1.451 1.00 0.00 WT4 H ATOM 51576 H2 TIP3 8381 4.346 -11.152 -2.092 1.00 0.00 WT4 H ATOM 51577 OH2 TIP3 8382 9.660 -0.539 -5.671 1.00 0.00 WT4 O ATOM 51578 H1 TIP3 8382 13.834 -3.777 -8.736 1.00 0.00 WT4 H ATOM 51579 H2 TIP3 8382 14.157 -0.386 0.347 1.00 0.00 WT4 H ATOM 51580 OH2 TIP3 8384 -4.489 -2.851 -4.876 1.00 0.00 WT4 O ATOM 51581 H1 TIP3 8384 -14.616 4.440 -21.753 1.00 0.00 WT4 H ATOM 51582 H2 TIP3 8384 2.212 -4.087 3.670 1.00 0.00 WT4 H ATOM 51583 OH2 TIP3 8386 0.120 -2.306 1.995 1.00 0.00 WT4 O ATOM 51584 H1 TIP3 8386 -1.998 22.672 -12.748 1.00 0.00 WT4 H ATOM 51585 H2 TIP3 8386 25.362 -12.542 21.263 1.00 0.00 WT4 H ATOM 51586 OH2 TIP3 8388 7.030 1.804 4.796 1.00 0.00 WT4 O ATOM 51587 H1 TIP3 8388 -7.063 -1.936 -21.737 1.00 0.00 WT4 H ATOM 51588 H2 TIP3 8388 -16.602 -12.638 0.150 1.00 0.00 WT4 H ATOM 51589 OH2 TIP3 8389 -3.822 2.146 -1.084 1.00 0.00 WT4 O ATOM 51590 H1 TIP3 8389 -6.740 1.013 -2.949 1.00 0.00 WT4 H ATOM 51591 H2 TIP3 8389 -5.654 1.793 -2.033 1.00 0.00 WT4 H ATOM 51592 OH2 TIP3 8403 2.629 0.569 3.677 1.00 0.00 WT4 O ATOM 51593 H1 TIP3 8403 2.066 13.094 1.566 1.00 0.00 WT4 H ATOM 51594 H2 TIP3 8403 -6.125 5.250 12.113 1.00 0.00 WT4 H ATOM 51595 OH2 TIP3 8411 -1.036 5.370 0.142 1.00 0.00 WT4 O ATOM 51596 H1 TIP3 8411 6.238 5.232 0.135 1.00 0.00 WT4 H ATOM 51597 H2 TIP3 8411 3.361 7.560 -6.183 1.00 0.00 WT4 H ATOM 51598 OH2 TIP3 8421 -2.329 -0.021 5.715 1.00 0.00 WT4 O ATOM 51599 H1 TIP3 8421 -1.807 1.895 6.474 1.00 0.00 WT4 H ATOM 51600 H2 TIP3 8421 -2.137 -5.101 1.701 1.00 0.00 WT4 H ATOM 51601 OH2 TIP3 8425 -4.869 -2.262 -7.433 1.00 0.00 WT4 O ATOM 51602 H1 TIP3 8425 -9.661 1.479 -9.538 1.00 0.00 WT4 H ATOM 51603 H2 TIP3 8425 12.733 2.575 -11.173 1.00 0.00 WT4 H ATOM 51604 OH2 TIP3 8427 -3.716 0.807 0.423 1.00 0.00 WT4 O ATOM 51605 H1 TIP3 8427 -8.183 -1.469 1.824 1.00 0.00 WT4 H ATOM 51606 H2 TIP3 8427 20.506 -6.996 10.325 1.00 0.00 WT4 H ATOM 51607 OH2 TIP3 8428 -0.579 -1.211 -1.682 1.00 0.00 WT4 O ATOM 51608 H1 TIP3 8428 0.180 -0.257 -23.045 1.00 0.00 WT4 H ATOM 51609 H2 TIP3 8428 -4.294 -11.807 22.341 1.00 0.00 WT4 H ATOM 51610 OH2 TIP3 8431 -0.066 2.721 -8.870 1.00 0.00 WT4 O ATOM 51611 H1 TIP3 8431 21.549 -6.956 -0.696 1.00 0.00 WT4 H ATOM 51612 H2 TIP3 8431 -18.896 -4.328 7.817 1.00 0.00 WT4 H ATOM 51613 OH2 TIP3 8441 -6.696 2.312 0.172 1.00 0.00 WT4 O ATOM 51614 H1 TIP3 8441 15.929 -25.957 -0.355 1.00 0.00 WT4 H ATOM 51615 H2 TIP3 8441 3.683 -15.990 11.048 1.00 0.00 WT4 H ATOM 51616 OH2 TIP3 8442 -1.562 7.025 0.485 1.00 0.00 WT4 O ATOM 51617 H1 TIP3 8442 -4.497 7.250 -6.878 1.00 0.00 WT4 H ATOM 51618 H2 TIP3 8442 -5.927 11.559 3.708 1.00 0.00 WT4 H ATOM 51619 OH2 TIP3 8444 -5.396 -1.956 4.159 1.00 0.00 WT4 O ATOM 51620 H1 TIP3 8444 4.701 23.338 -15.045 1.00 0.00 WT4 H ATOM 51621 H2 TIP3 8444 -20.121 7.885 -28.603 1.00 0.00 WT4 H ATOM 51622 OH2 TIP3 8445 4.764 1.811 2.493 1.00 0.00 WT4 O ATOM 51623 H1 TIP3 8445 -8.196 4.102 -22.968 1.00 0.00 WT4 H ATOM 51624 H2 TIP3 8445 -17.175 -16.685 -10.942 1.00 0.00 WT4 H ATOM 51625 OH2 TIP3 8446 1.265 -0.444 -2.511 1.00 0.00 WT4 O ATOM 51626 H1 TIP3 8446 -1.132 -14.415 4.928 1.00 0.00 WT4 H ATOM 51627 H2 TIP3 8446 -9.701 -11.261 -15.007 1.00 0.00 WT4 H ATOM 51628 OH2 TIP3 8447 -1.522 0.773 -3.880 1.00 0.00 WT4 O ATOM 51629 H1 TIP3 8447 -37.280 -6.677 -7.025 1.00 0.00 WT4 H ATOM 51630 H2 TIP3 8447 2.491 15.512 -3.696 1.00 0.00 WT4 H ATOM 51631 OH2 TIP3 8449 0.172 -0.322 -0.894 1.00 0.00 WT4 O ATOM 51632 H1 TIP3 8449 -8.593 -6.476 2.231 1.00 0.00 WT4 H ATOM 51633 H2 TIP3 8449 -11.378 -5.544 -2.891 1.00 0.00 WT4 H ATOM 51634 OH2 TIP3 8455 0.006 -5.082 4.862 1.00 0.00 WT4 O ATOM 51635 H1 TIP3 8455 -7.592 -15.279 -6.672 1.00 0.00 WT4 H ATOM 51636 H2 TIP3 8455 15.609 -10.389 0.740 1.00 0.00 WT4 H ATOM 51637 OH2 TIP3 8462 1.862 4.211 -0.330 1.00 0.00 WT4 O ATOM 51638 H1 TIP3 8462 8.767 -3.319 1.606 1.00 0.00 WT4 H ATOM 51639 H2 TIP3 8462 -9.512 -0.461 5.954 1.00 0.00 WT4 H ATOM 51640 OH2 TIP3 8463 0.817 8.274 3.524 1.00 0.00 WT4 O ATOM 51641 H1 TIP3 8463 5.142 18.237 -6.782 1.00 0.00 WT4 H ATOM 51642 H2 TIP3 8463 1.274 8.496 4.125 1.00 0.00 WT4 H ATOM 51643 OH2 TIP3 8465 -7.644 -0.137 -5.708 1.00 0.00 WT4 O ATOM 51644 H1 TIP3 8465 -7.427 -11.123 1.644 1.00 0.00 WT4 H ATOM 51645 H2 TIP3 8465 -7.115 2.998 11.298 1.00 0.00 WT4 H ATOM 51646 OH2 TIP3 8466 -0.876 -3.998 0.236 1.00 0.00 WT4 O ATOM 51647 H1 TIP3 8466 -5.164 -25.406 -16.589 1.00 0.00 WT4 H ATOM 51648 H2 TIP3 8466 -0.900 -2.804 5.113 1.00 0.00 WT4 H ATOM 51649 OH2 TIP3 8468 -3.948 4.684 -1.159 1.00 0.00 WT4 O ATOM 51650 H1 TIP3 8468 -29.735 5.245 21.336 1.00 0.00 WT4 H ATOM 51651 H2 TIP3 8468 3.789 4.403 -6.426 1.00 0.00 WT4 H ATOM 51652 OH2 TIP3 8486 1.230 -2.788 -1.888 1.00 0.00 WT4 O ATOM 51653 H1 TIP3 8486 -7.396 20.828 -26.103 1.00 0.00 WT4 H ATOM 51654 H2 TIP3 8486 -27.439 -1.909 16.618 1.00 0.00 WT4 H ATOM 51655 OH2 TIP3 8487 -0.155 0.634 -6.423 1.00 0.00 WT4 O ATOM 51656 H1 TIP3 8487 -14.665 7.491 3.375 1.00 0.00 WT4 H ATOM 51657 H2 TIP3 8487 2.388 11.714 -22.559 1.00 0.00 WT4 H ATOM 51658 OH2 TIP3 8489 0.257 4.525 1.692 1.00 0.00 WT4 O ATOM 51659 H1 TIP3 8489 -9.185 9.121 -2.271 1.00 0.00 WT4 H ATOM 51660 H2 TIP3 8489 -0.999 -5.661 -5.022 1.00 0.00 WT4 H ATOM 51661 OH2 TIP3 8490 -3.156 -1.176 -4.622 1.00 0.00 WT4 O ATOM 51662 H1 TIP3 8490 0.171 2.223 2.444 1.00 0.00 WT4 H ATOM 51663 H2 TIP3 8490 -1.990 2.221 -3.855 1.00 0.00 WT4 H ATOM 51664 OH2 TIP3 8505 -2.740 1.043 0.531 1.00 0.00 WT4 O ATOM 51665 H1 TIP3 8505 0.139 6.967 -10.450 1.00 0.00 WT4 H ATOM 51666 H2 TIP3 8505 -3.138 -3.847 0.056 1.00 0.00 WT4 H ATOM 51667 OH2 TIP3 8506 -9.049 10.424 0.436 1.00 0.00 WT4 O ATOM 51668 H1 TIP3 8506 -3.105 -6.434 3.445 1.00 0.00 WT4 H ATOM 51669 H2 TIP3 8506 7.314 -28.273 5.746 1.00 0.00 WT4 H ATOM 51670 OH2 TIP3 8507 0.942 3.336 6.452 1.00 0.00 WT4 O ATOM 51671 H1 TIP3 8507 37.440 10.685 17.862 1.00 0.00 WT4 H ATOM 51672 H2 TIP3 8507 -17.769 19.932 -4.817 1.00 0.00 WT4 H ATOM 51673 OH2 TIP3 8508 -1.331 -1.485 1.448 1.00 0.00 WT4 O ATOM 51674 H1 TIP3 8508 2.603 -8.472 22.919 1.00 0.00 WT4 H ATOM 51675 H2 TIP3 8508 15.066 4.448 1.337 1.00 0.00 WT4 H ATOM 51676 OH2 TIP3 8509 -3.549 4.324 -3.189 1.00 0.00 WT4 O ATOM 51677 H1 TIP3 8509 -2.136 0.929 19.487 1.00 0.00 WT4 H ATOM 51678 H2 TIP3 8509 -20.851 9.764 20.863 1.00 0.00 WT4 H ATOM 51679 OH2 TIP3 8513 0.601 -0.687 1.320 1.00 0.00 WT4 O ATOM 51680 H1 TIP3 8513 -7.087 -12.267 16.006 1.00 0.00 WT4 H ATOM 51681 H2 TIP3 8513 1.568 -8.446 -1.687 1.00 0.00 WT4 H ATOM 51682 OH2 TIP3 8515 3.981 2.038 3.594 1.00 0.00 WT4 O ATOM 51683 H1 TIP3 8515 4.391 6.002 -18.113 1.00 0.00 WT4 H ATOM 51684 H2 TIP3 8515 13.834 -15.862 11.034 1.00 0.00 WT4 H ATOM 51685 OH2 TIP3 8516 7.770 5.783 -1.090 1.00 0.00 WT4 O ATOM 51686 H1 TIP3 8516 5.863 0.455 -3.077 1.00 0.00 WT4 H ATOM 51687 H2 TIP3 8516 12.213 4.307 2.600 1.00 0.00 WT4 H ATOM 51688 OH2 TIP3 8528 9.174 3.166 3.765 1.00 0.00 WT4 O ATOM 51689 H1 TIP3 8528 5.692 0.250 4.880 1.00 0.00 WT4 H ATOM 51690 H2 TIP3 8528 1.674 -6.376 -1.381 1.00 0.00 WT4 H ATOM 51691 OH2 TIP3 8529 2.072 -6.453 -3.101 1.00 0.00 WT4 O ATOM 51692 H1 TIP3 8529 -4.875 -4.664 -1.377 1.00 0.00 WT4 H ATOM 51693 H2 TIP3 8529 8.355 -9.578 -5.827 1.00 0.00 WT4 H ATOM 51694 OH2 TIP3 8530 1.506 1.371 -0.827 1.00 0.00 WT4 O ATOM 51695 H1 TIP3 8530 12.502 3.842 5.952 1.00 0.00 WT4 H ATOM 51696 H2 TIP3 8530 -4.725 -11.845 4.280 1.00 0.00 WT4 H ATOM 51697 OH2 TIP3 8531 -5.744 2.582 -4.835 1.00 0.00 WT4 O ATOM 51698 H1 TIP3 8531 23.502 -2.697 -3.585 1.00 0.00 WT4 H ATOM 51699 H2 TIP3 8531 -12.903 8.813 10.595 1.00 0.00 WT4 H ATOM 51700 OH2 TIP3 8532 -2.071 -2.792 -1.975 1.00 0.00 WT4 O ATOM 51701 H1 TIP3 8532 -14.703 -14.431 1.830 1.00 0.00 WT4 H ATOM 51702 H2 TIP3 8532 4.420 0.395 13.558 1.00 0.00 WT4 H ATOM 51703 OH2 TIP3 8534 0.378 -6.401 -2.408 1.00 0.00 WT4 O ATOM 51704 H1 TIP3 8534 14.241 -9.777 -0.837 1.00 0.00 WT4 H ATOM 51705 H2 TIP3 8534 -2.767 -7.249 -2.242 1.00 0.00 WT4 H ATOM 51706 OH2 TIP3 8535 -0.215 -3.552 -3.743 1.00 0.00 WT4 O ATOM 51707 H1 TIP3 8535 -16.173 15.952 -11.019 1.00 0.00 WT4 H ATOM 51708 H2 TIP3 8535 1.040 -7.015 12.217 1.00 0.00 WT4 H ATOM 51709 OH2 TIP3 8536 -3.501 0.330 -2.082 1.00 0.00 WT4 O ATOM 51710 H1 TIP3 8536 -9.790 -1.226 -2.441 1.00 0.00 WT4 H ATOM 51711 H2 TIP3 8536 -8.424 -9.278 2.397 1.00 0.00 WT4 H ATOM 51712 OH2 TIP3 8539 3.215 1.174 -3.148 1.00 0.00 WT4 O ATOM 51713 H1 TIP3 8539 -5.562 9.591 16.148 1.00 0.00 WT4 H ATOM 51714 H2 TIP3 8539 -1.277 0.102 -19.045 1.00 0.00 WT4 H ATOM 51715 OH2 TIP3 8543 -5.601 1.187 1.398 1.00 0.00 WT4 O ATOM 51716 H1 TIP3 8543 -1.198 -7.526 14.922 1.00 0.00 WT4 H ATOM 51717 H2 TIP3 8543 16.394 -17.076 27.399 1.00 0.00 WT4 H ATOM 51718 OH2 TIP3 8548 0.883 2.716 0.443 1.00 0.00 WT4 O ATOM 51719 H1 TIP3 8548 13.040 9.011 16.073 1.00 0.00 WT4 H ATOM 51720 H2 TIP3 8548 24.205 32.532 -14.838 1.00 0.00 WT4 H ATOM 51721 OH2 TIP3 8549 -1.480 -7.252 3.316 1.00 0.00 WT4 O ATOM 51722 H1 TIP3 8549 39.005 -8.380 22.752 1.00 0.00 WT4 H ATOM 51723 H2 TIP3 8549 4.274 10.065 14.592 1.00 0.00 WT4 H ATOM 51724 OH2 TIP3 8550 3.981 -2.754 2.081 1.00 0.00 WT4 O ATOM 51725 H1 TIP3 8550 3.526 -7.886 -0.181 1.00 0.00 WT4 H ATOM 51726 H2 TIP3 8550 -26.129 16.261 9.828 1.00 0.00 WT4 H ATOM 51727 OH2 TIP3 8554 1.998 1.399 -7.019 1.00 0.00 WT4 O ATOM 51728 H1 TIP3 8554 21.000 -4.048 -8.193 1.00 0.00 WT4 H ATOM 51729 H2 TIP3 8554 -18.715 -25.095 -23.853 1.00 0.00 WT4 H ATOM 51730 OH2 TIP3 8556 2.656 5.318 2.013 1.00 0.00 WT4 O ATOM 51731 H1 TIP3 8556 2.198 1.930 10.064 1.00 0.00 WT4 H ATOM 51732 H2 TIP3 8556 1.899 -1.378 -3.119 1.00 0.00 WT4 H ATOM 51733 OH2 TIP3 8558 -8.762 2.028 -2.237 1.00 0.00 WT4 O ATOM 51734 H1 TIP3 8558 -4.396 13.900 4.148 1.00 0.00 WT4 H ATOM 51735 H2 TIP3 8558 5.969 3.287 11.449 1.00 0.00 WT4 H ATOM 51736 OH2 TIP3 8571 -3.882 -1.030 1.399 1.00 0.00 WT4 O ATOM 51737 H1 TIP3 8571 -0.090 -12.169 -11.668 1.00 0.00 WT4 H ATOM 51738 H2 TIP3 8571 0.305 -8.417 14.723 1.00 0.00 WT4 H ATOM 51739 OH2 TIP3 8573 0.773 2.894 -2.016 1.00 0.00 WT4 O ATOM 51740 H1 TIP3 8573 -1.870 7.397 3.047 1.00 0.00 WT4 H ATOM 51741 H2 TIP3 8573 3.896 6.360 7.828 1.00 0.00 WT4 H ATOM 51742 OH2 TIP3 8574 -5.008 -1.918 0.565 1.00 0.00 WT4 O ATOM 51743 H1 TIP3 8574 -7.868 8.847 -13.585 1.00 0.00 WT4 H ATOM 51744 H2 TIP3 8574 -8.607 2.085 14.057 1.00 0.00 WT4 H ATOM 51745 OH2 TIP3 8590 0.988 3.278 -13.156 1.00 0.00 WT4 O ATOM 51746 H1 TIP3 8590 9.391 -2.694 -20.715 1.00 0.00 WT4 H ATOM 51747 H2 TIP3 8590 -12.727 12.918 0.751 1.00 0.00 WT4 H ATOM 51748 OH2 TIP3 8594 -0.134 1.345 0.120 1.00 0.00 WT4 O ATOM 51749 H1 TIP3 8594 -4.409 11.258 10.377 1.00 0.00 WT4 H ATOM 51750 H2 TIP3 8594 -5.156 13.830 10.704 1.00 0.00 WT4 H ATOM 51751 OH2 TIP3 8632 -3.647 1.609 -3.099 1.00 0.00 WT4 O ATOM 51752 H1 TIP3 8632 18.412 8.758 -19.116 1.00 0.00 WT4 H ATOM 51753 H2 TIP3 8632 -18.608 2.029 -16.693 1.00 0.00 WT4 H ATOM 51754 OH2 TIP3 8638 5.341 1.124 2.891 1.00 0.00 WT4 O ATOM 51755 H1 TIP3 8638 -0.917 -4.120 6.322 1.00 0.00 WT4 H ATOM 51756 H2 TIP3 8638 8.666 3.326 4.221 1.00 0.00 WT4 H ATOM 51757 OH2 TIP3 8640 3.405 0.553 -4.404 1.00 0.00 WT4 O ATOM 51758 H1 TIP3 8640 -7.318 0.977 -11.098 1.00 0.00 WT4 H ATOM 51759 H2 TIP3 8640 -14.183 3.158 34.586 1.00 0.00 WT4 H ATOM 51760 OH2 TIP3 8760 1.624 -1.865 -4.616 1.00 0.00 WT4 O ATOM 51761 H1 TIP3 8760 -3.055 -28.698 10.518 1.00 0.00 WT4 H ATOM 51762 H2 TIP3 8760 3.712 -20.985 -11.426 1.00 0.00 WT4 H ATOM 51763 OH2 TIP3 8777 -1.397 -2.337 -9.196 1.00 0.00 WT4 O ATOM 51764 H1 TIP3 8777 6.215 -1.630 -10.168 1.00 0.00 WT4 H ATOM 51765 H2 TIP3 8777 11.361 1.569 7.233 1.00 0.00 WT4 H ATOM 51766 OH2 TIP3 8780 -1.943 5.362 -2.631 1.00 0.00 WT4 O ATOM 51767 H1 TIP3 8780 -0.028 -9.398 23.693 1.00 0.00 WT4 H ATOM 51768 H2 TIP3 8780 24.606 7.173 -15.503 1.00 0.00 WT4 H ATOM 51769 OH2 TIP3 8790 3.881 3.304 -2.715 1.00 0.00 WT4 O ATOM 51770 H1 TIP3 8790 7.596 -9.841 8.598 1.00 0.00 WT4 H ATOM 51771 H2 TIP3 8790 -10.236 11.882 6.015 1.00 0.00 WT4 H ATOM 51772 OH2 TIP3 8801 0.339 -0.773 -2.437 1.00 0.00 WT4 O ATOM 51773 H1 TIP3 8801 -7.242 3.660 -41.563 1.00 0.00 WT4 H ATOM 51774 H2 TIP3 8801 -1.737 -13.506 -2.698 1.00 0.00 WT4 H ATOM 51775 OH2 TIP3 8802 2.266 -4.431 1.264 1.00 0.00 WT4 O ATOM 51776 H1 TIP3 8802 5.546 12.005 18.350 1.00 0.00 WT4 H ATOM 51777 H2 TIP3 8802 -25.594 25.195 6.340 1.00 0.00 WT4 H ATOM 51778 OH2 TIP3 8803 -5.831 -0.571 3.701 1.00 0.00 WT4 O ATOM 51779 H1 TIP3 8803 -11.277 -1.326 3.285 1.00 0.00 WT4 H ATOM 51780 H2 TIP3 8803 -22.897 -3.539 -4.626 1.00 0.00 WT4 H ATOM 51781 OH2 TIP3 8807 -4.334 0.784 2.005 1.00 0.00 WT4 O ATOM 51782 H1 TIP3 8807 1.565 2.112 8.495 1.00 0.00 WT4 H ATOM 51783 H2 TIP3 8807 6.254 -20.790 -8.510 1.00 0.00 WT4 H ATOM 51784 OH2 TIP3 8820 0.218 -1.135 -0.885 1.00 0.00 WT4 O ATOM 51785 H1 TIP3 8820 -12.120 1.629 -10.538 1.00 0.00 WT4 H ATOM 51786 H2 TIP3 8820 -1.035 0.334 0.793 1.00 0.00 WT4 H ATOM 51787 OH2 TIP3 8822 -6.091 4.991 3.396 1.00 0.00 WT4 O ATOM 51788 H1 TIP3 8822 4.749 34.640 -7.116 1.00 0.00 WT4 H ATOM 51789 H2 TIP3 8822 -9.030 -3.652 9.807 1.00 0.00 WT4 H ATOM 51790 OH2 TIP3 8823 4.176 -4.621 -0.322 1.00 0.00 WT4 O ATOM 51791 H1 TIP3 8823 -0.382 1.802 -2.541 1.00 0.00 WT4 H ATOM 51792 H2 TIP3 8823 4.137 -3.739 -0.489 1.00 0.00 WT4 H ATOM 51793 OH2 TIP3 8829 -1.133 -0.925 2.914 1.00 0.00 WT4 O ATOM 51794 H1 TIP3 8829 19.892 -8.614 -3.163 1.00 0.00 WT4 H ATOM 51795 H2 TIP3 8829 -12.115 2.573 2.949 1.00 0.00 WT4 H ATOM 51796 OH2 TIP3 8830 0.715 -3.177 1.552 1.00 0.00 WT4 O ATOM 51797 H1 TIP3 8830 27.702 14.973 -15.811 1.00 0.00 WT4 H ATOM 51798 H2 TIP3 8830 16.186 -4.258 -3.368 1.00 0.00 WT4 H ATOM 51799 OH2 TIP3 8842 0.384 1.952 -1.246 1.00 0.00 WT4 O ATOM 51800 H1 TIP3 8842 -19.939 18.905 4.542 1.00 0.00 WT4 H ATOM 51801 H2 TIP3 8842 -4.022 30.516 17.735 1.00 0.00 WT4 H ATOM 51802 OH2 TIP3 8843 0.367 -0.311 -0.691 1.00 0.00 WT4 O ATOM 51803 H1 TIP3 8843 -1.297 -2.315 -8.136 1.00 0.00 WT4 H ATOM 51804 H2 TIP3 8843 -1.133 -9.399 0.586 1.00 0.00 WT4 H ATOM 51805 OH2 TIP3 8844 -4.040 6.289 3.530 1.00 0.00 WT4 O ATOM 51806 H1 TIP3 8844 -4.234 1.398 4.217 1.00 0.00 WT4 H ATOM 51807 H2 TIP3 8844 -5.277 -19.938 5.031 1.00 0.00 WT4 H ATOM 51808 OH2 TIP3 8845 -6.780 -1.147 5.519 1.00 0.00 WT4 O ATOM 51809 H1 TIP3 8845 -6.666 -8.531 7.921 1.00 0.00 WT4 H ATOM 51810 H2 TIP3 8845 -6.636 -7.793 4.676 1.00 0.00 WT4 H ATOM 51811 OH2 TIP3 8846 -3.208 1.681 3.309 1.00 0.00 WT4 O ATOM 51812 H1 TIP3 8846 -2.225 -0.193 10.196 1.00 0.00 WT4 H ATOM 51813 H2 TIP3 8846 5.471 -5.508 7.795 1.00 0.00 WT4 H ATOM 51814 OH2 TIP3 8847 -10.014 -0.487 2.368 1.00 0.00 WT4 O ATOM 51815 H1 TIP3 8847 -19.475 18.816 25.230 1.00 0.00 WT4 H ATOM 51816 H2 TIP3 8847 -1.862 -18.173 -4.080 1.00 0.00 WT4 H ATOM 51817 OH2 TIP3 8849 -4.935 -2.689 6.293 1.00 0.00 WT4 O ATOM 51818 H1 TIP3 8849 -1.301 -5.529 -0.131 1.00 0.00 WT4 H ATOM 51819 H2 TIP3 8849 23.442 -11.688 -15.259 1.00 0.00 WT4 H ATOM 51820 OH2 TIP3 8863 -4.471 1.530 4.528 1.00 0.00 WT4 O ATOM 51821 H1 TIP3 8863 -11.143 -7.191 9.677 1.00 0.00 WT4 H ATOM 51822 H2 TIP3 8863 -11.411 -33.206 -8.322 1.00 0.00 WT4 H ATOM 51823 OH2 TIP3 8865 0.781 4.655 -1.524 1.00 0.00 WT4 O ATOM 51824 H1 TIP3 8865 -2.671 -13.300 -8.428 1.00 0.00 WT4 H ATOM 51825 H2 TIP3 8865 3.429 19.161 6.094 1.00 0.00 WT4 H ATOM 51826 OH2 TIP3 8866 7.668 0.557 -1.754 1.00 0.00 WT4 O ATOM 51827 H1 TIP3 8866 -10.676 12.749 -19.899 1.00 0.00 WT4 H ATOM 51828 H2 TIP3 8866 6.912 -0.819 1.550 1.00 0.00 WT4 H ATOM 51829 OH2 TIP3 8867 -2.287 0.896 6.321 1.00 0.00 WT4 O ATOM 51830 H1 TIP3 8867 14.805 20.485 -0.157 1.00 0.00 WT4 H ATOM 51831 H2 TIP3 8867 -13.301 13.341 9.265 1.00 0.00 WT4 H ATOM 51832 OH2 TIP3 8869 0.254 0.181 0.637 1.00 0.00 WT4 O ATOM 51833 H1 TIP3 8869 -5.930 -7.838 10.799 1.00 0.00 WT4 H ATOM 51834 H2 TIP3 8869 -7.076 10.248 5.417 1.00 0.00 WT4 H ATOM 51835 OH2 TIP3 8883 -2.824 4.476 0.628 1.00 0.00 WT4 O ATOM 51836 H1 TIP3 8883 -10.086 0.624 -7.332 1.00 0.00 WT4 H ATOM 51837 H2 TIP3 8883 3.754 10.411 9.751 1.00 0.00 WT4 H ATOM 51838 OH2 TIP3 8884 0.345 -0.187 0.797 1.00 0.00 WT4 O ATOM 51839 H1 TIP3 8884 4.678 -0.976 -7.001 1.00 0.00 WT4 H ATOM 51840 H2 TIP3 8884 5.433 -1.885 0.466 1.00 0.00 WT4 H ATOM 51841 OH2 TIP3 8885 -1.997 3.407 -3.720 1.00 0.00 WT4 O ATOM 51842 H1 TIP3 8885 -0.506 -4.452 14.375 1.00 0.00 WT4 H ATOM 51843 H2 TIP3 8885 9.761 2.854 -39.044 1.00 0.00 WT4 H ATOM 51844 OH2 TIP3 8886 -2.619 2.333 -3.975 1.00 0.00 WT4 O ATOM 51845 H1 TIP3 8886 -34.187 7.880 -2.814 1.00 0.00 WT4 H ATOM 51846 H2 TIP3 8886 -0.972 0.611 -5.015 1.00 0.00 WT4 H ATOM 51847 OH2 TIP3 8887 -3.253 2.763 -5.987 1.00 0.00 WT4 O ATOM 51848 H1 TIP3 8887 -1.683 2.128 -11.298 1.00 0.00 WT4 H ATOM 51849 H2 TIP3 8887 3.920 19.133 19.533 1.00 0.00 WT4 H ATOM 51850 OH2 TIP3 8901 -2.991 0.826 -1.411 1.00 0.00 WT4 O ATOM 51851 H1 TIP3 8901 -5.928 1.523 10.374 1.00 0.00 WT4 H ATOM 51852 H2 TIP3 8901 1.871 -10.294 -0.084 1.00 0.00 WT4 H ATOM 51853 OH2 TIP3 8903 -4.512 -3.045 1.095 1.00 0.00 WT4 O ATOM 51854 H1 TIP3 8903 -8.740 8.543 5.408 1.00 0.00 WT4 H ATOM 51855 H2 TIP3 8903 -5.667 1.070 5.097 1.00 0.00 WT4 H ATOM 51856 OH2 TIP3 8905 -0.841 4.636 4.965 1.00 0.00 WT4 O ATOM 51857 H1 TIP3 8905 -2.571 -10.194 14.781 1.00 0.00 WT4 H ATOM 51858 H2 TIP3 8905 0.165 -0.814 -3.735 1.00 0.00 WT4 H ATOM 51859 OH2 TIP3 8907 2.000 -3.789 -0.575 1.00 0.00 WT4 O ATOM 51860 H1 TIP3 8907 -4.774 -11.917 2.236 1.00 0.00 WT4 H ATOM 51861 H2 TIP3 8907 10.399 -0.923 -6.001 1.00 0.00 WT4 H ATOM 51862 OH2 TIP3 8911 5.970 0.263 -2.583 1.00 0.00 WT4 O ATOM 51863 H1 TIP3 8911 5.264 0.033 -2.047 1.00 0.00 WT4 H ATOM 51864 H2 TIP3 8911 1.345 -1.961 -5.893 1.00 0.00 WT4 H ATOM 51865 OH2 TIP3 8913 -2.284 5.815 3.895 1.00 0.00 WT4 O ATOM 51866 H1 TIP3 8913 -5.711 1.994 2.040 1.00 0.00 WT4 H ATOM 51867 H2 TIP3 8913 -0.556 -8.333 12.927 1.00 0.00 WT4 H ATOM 51868 OH2 TIP3 8914 -5.946 2.471 -0.555 1.00 0.00 WT4 O ATOM 51869 H1 TIP3 8914 -4.197 2.792 0.610 1.00 0.00 WT4 H ATOM 51870 H2 TIP3 8914 -10.229 9.369 3.255 1.00 0.00 WT4 H ATOM 51871 OH2 TIP3 8925 -4.215 1.885 1.967 1.00 0.00 WT4 O ATOM 51872 H1 TIP3 8925 0.309 10.158 -7.540 1.00 0.00 WT4 H ATOM 51873 H2 TIP3 8925 -4.562 4.424 8.545 1.00 0.00 WT4 H ATOM 51874 OH2 TIP3 8926 0.390 -5.649 -1.725 1.00 0.00 WT4 O ATOM 51875 H1 TIP3 8926 -12.427 -11.183 -16.135 1.00 0.00 WT4 H ATOM 51876 H2 TIP3 8926 -0.842 26.770 1.899 1.00 0.00 WT4 H ATOM 51877 OH2 TIP3 8927 -1.173 4.179 3.127 1.00 0.00 WT4 O ATOM 51878 H1 TIP3 8927 -2.209 -9.185 0.629 1.00 0.00 WT4 H ATOM 51879 H2 TIP3 8927 -15.624 6.310 -3.848 1.00 0.00 WT4 H ATOM 51880 OH2 TIP3 8929 -1.545 -8.405 -1.504 1.00 0.00 WT4 O ATOM 51881 H1 TIP3 8929 -3.828 1.611 -15.570 1.00 0.00 WT4 H ATOM 51882 H2 TIP3 8929 -0.868 -10.391 2.513 1.00 0.00 WT4 H ATOM 51883 OH2 TIP3 8930 0.396 6.047 -4.480 1.00 0.00 WT4 O ATOM 51884 H1 TIP3 8930 14.412 36.573 44.305 1.00 0.00 WT4 H ATOM 51885 H2 TIP3 8930 9.515 1.907 5.946 1.00 0.00 WT4 H ATOM 51886 OH2 TIP3 8931 -2.561 3.208 -0.701 1.00 0.00 WT4 O ATOM 51887 H1 TIP3 8931 -0.816 -10.858 -21.975 1.00 0.00 WT4 H ATOM 51888 H2 TIP3 8931 22.779 17.018 -1.904 1.00 0.00 WT4 H ATOM 51889 OH2 TIP3 8932 4.596 0.052 -0.337 1.00 0.00 WT4 O ATOM 51890 H1 TIP3 8932 21.855 -7.226 17.048 1.00 0.00 WT4 H ATOM 51891 H2 TIP3 8932 7.410 5.995 2.593 1.00 0.00 WT4 H ATOM 51892 OH2 TIP3 8935 3.983 0.402 -1.044 1.00 0.00 WT4 O ATOM 51893 H1 TIP3 8935 34.026 -38.611 -24.867 1.00 0.00 WT4 H ATOM 51894 H2 TIP3 8935 -11.686 -3.777 -3.373 1.00 0.00 WT4 H ATOM 51895 OH2 TIP3 8944 1.649 -4.007 1.529 1.00 0.00 WT4 O ATOM 51896 H1 TIP3 8944 -3.711 -9.538 5.753 1.00 0.00 WT4 H ATOM 51897 H2 TIP3 8944 4.731 -5.817 -6.452 1.00 0.00 WT4 H ATOM 51898 OH2 TIP3 8949 -3.282 3.447 1.227 1.00 0.00 WT4 O ATOM 51899 H1 TIP3 8949 -8.522 -0.889 -2.036 1.00 0.00 WT4 H ATOM 51900 H2 TIP3 8949 6.274 11.323 6.667 1.00 0.00 WT4 H ATOM 51901 OH2 TIP3 8951 3.345 3.312 4.348 1.00 0.00 WT4 O ATOM 51902 H1 TIP3 8951 7.175 -0.278 9.549 1.00 0.00 WT4 H ATOM 51903 H2 TIP3 8951 6.296 0.913 8.062 1.00 0.00 WT4 H ATOM 51904 OH2 TIP3 8953 4.313 -5.237 0.291 1.00 0.00 WT4 O ATOM 51905 H1 TIP3 8953 5.980 -25.730 0.586 1.00 0.00 WT4 H ATOM 51906 H2 TIP3 8953 22.038 -0.096 1.212 1.00 0.00 WT4 H ATOM 51907 OH2 TIP3 8954 1.090 6.855 5.130 1.00 0.00 WT4 O ATOM 51908 H1 TIP3 8954 -3.857 -0.113 21.513 1.00 0.00 WT4 H ATOM 51909 H2 TIP3 8954 1.645 4.336 8.857 1.00 0.00 WT4 H ATOM 51910 OH2 TIP3 8969 0.812 -3.923 -1.988 1.00 0.00 WT4 O ATOM 51911 H1 TIP3 8969 21.863 20.183 21.450 1.00 0.00 WT4 H ATOM 51912 H2 TIP3 8969 -0.331 -4.835 -2.032 1.00 0.00 WT4 H ATOM 51913 OH2 TIP3 8970 -1.546 -4.740 3.050 1.00 0.00 WT4 O ATOM 51914 H1 TIP3 8970 4.296 1.998 -7.102 1.00 0.00 WT4 H ATOM 51915 H2 TIP3 8970 11.791 6.919 1.522 1.00 0.00 WT4 H ATOM 51916 OH2 TIP3 8972 -3.298 0.898 -0.220 1.00 0.00 WT4 O ATOM 51917 H1 TIP3 8972 -15.123 -2.755 -4.957 1.00 0.00 WT4 H ATOM 51918 H2 TIP3 8972 -17.568 5.766 -2.043 1.00 0.00 WT4 H ATOM 51919 OH2 TIP3 8973 -3.552 -2.151 3.275 1.00 0.00 WT4 O ATOM 51920 H1 TIP3 8973 2.831 -2.968 3.826 1.00 0.00 WT4 H ATOM 51921 H2 TIP3 8973 4.192 0.724 0.865 1.00 0.00 WT4 H ATOM 51922 OH2 TIP3 8974 -2.462 -1.341 2.650 1.00 0.00 WT4 O ATOM 51923 H1 TIP3 8974 -2.979 -1.766 -2.230 1.00 0.00 WT4 H ATOM 51924 H2 TIP3 8974 -0.125 -13.315 -5.835 1.00 0.00 WT4 H ATOM 51925 OH2 TIP3 8975 -1.283 -5.938 -2.109 1.00 0.00 WT4 O ATOM 51926 H1 TIP3 8975 -26.418 2.345 -2.488 1.00 0.00 WT4 H ATOM 51927 H2 TIP3 8975 -10.836 0.040 -9.301 1.00 0.00 WT4 H ATOM 51928 OH2 TIP3 8976 -4.447 -3.185 -2.637 1.00 0.00 WT4 O ATOM 51929 H1 TIP3 8976 4.983 -3.805 12.957 1.00 0.00 WT4 H ATOM 51930 H2 TIP3 8976 -10.671 2.764 -22.518 1.00 0.00 WT4 H ATOM 51931 OH2 TIP3 8977 -0.099 0.233 2.554 1.00 0.00 WT4 O ATOM 51932 H1 TIP3 8977 -22.797 -1.697 -5.796 1.00 0.00 WT4 H ATOM 51933 H2 TIP3 8977 -4.461 0.624 0.945 1.00 0.00 WT4 H ATOM 51934 OH2 TIP3 8978 -6.667 3.266 -0.068 1.00 0.00 WT4 O ATOM 51935 H1 TIP3 8978 -6.428 -5.105 -20.110 1.00 0.00 WT4 H ATOM 51936 H2 TIP3 8978 -17.045 -2.939 0.791 1.00 0.00 WT4 H ATOM 51937 OH2 TIP3 8988 3.697 -1.373 2.038 1.00 0.00 WT4 O ATOM 51938 H1 TIP3 8988 3.089 -18.091 -11.406 1.00 0.00 WT4 H ATOM 51939 H2 TIP3 8988 10.024 -19.518 -10.724 1.00 0.00 WT4 H ATOM 51940 OH2 TIP3 8992 -0.896 3.684 -0.476 1.00 0.00 WT4 O ATOM 51941 H1 TIP3 8992 12.989 18.127 -4.303 1.00 0.00 WT4 H ATOM 51942 H2 TIP3 8992 0.818 5.345 -1.210 1.00 0.00 WT4 H ATOM 51943 OH2 TIP3 8995 3.558 7.164 2.183 1.00 0.00 WT4 O ATOM 51944 H1 TIP3 8995 5.376 4.709 0.413 1.00 0.00 WT4 H ATOM 51945 H2 TIP3 8995 10.517 7.258 -13.094 1.00 0.00 WT4 H ATOM 51946 OH2 TIP3 8996 2.203 1.161 -6.480 1.00 0.00 WT4 O ATOM 51947 H1 TIP3 8996 0.947 -31.355 -16.416 1.00 0.00 WT4 H ATOM 51948 H2 TIP3 8996 14.215 21.538 -9.134 1.00 0.00 WT4 H ATOM 51949 OH2 TIP3 8997 1.325 3.758 3.460 1.00 0.00 WT4 O ATOM 51950 H1 TIP3 8997 15.183 0.531 -1.003 1.00 0.00 WT4 H ATOM 51951 H2 TIP3 8997 16.102 -13.525 -9.840 1.00 0.00 WT4 H ATOM 51952 OH2 TIP3 9008 0.450 3.505 0.229 1.00 0.00 WT4 O ATOM 51953 H1 TIP3 9008 18.452 8.498 11.880 1.00 0.00 WT4 H ATOM 51954 H2 TIP3 9008 -6.716 1.604 -10.999 1.00 0.00 WT4 H ATOM 51955 OH2 TIP3 9009 -3.620 8.364 1.255 1.00 0.00 WT4 O ATOM 51956 H1 TIP3 9009 5.303 21.137 -0.098 1.00 0.00 WT4 H ATOM 51957 H2 TIP3 9009 3.709 -10.935 -7.550 1.00 0.00 WT4 H ATOM 51958 OH2 TIP3 9014 -4.404 2.882 4.306 1.00 0.00 WT4 O ATOM 51959 H1 TIP3 9014 0.322 -7.473 21.661 1.00 0.00 WT4 H ATOM 51960 H2 TIP3 9014 -24.872 -7.113 -0.872 1.00 0.00 WT4 H ATOM 51961 OH2 TIP3 9015 1.099 -3.137 5.788 1.00 0.00 WT4 O ATOM 51962 H1 TIP3 9015 -0.183 -0.377 4.287 1.00 0.00 WT4 H ATOM 51963 H2 TIP3 9015 3.004 -4.769 3.715 1.00 0.00 WT4 H ATOM 51964 OH2 TIP3 9019 -3.325 -7.522 3.774 1.00 0.00 WT4 O ATOM 51965 H1 TIP3 9019 11.175 -9.412 2.909 1.00 0.00 WT4 H ATOM 51966 H2 TIP3 9019 -8.364 -12.531 -18.830 1.00 0.00 WT4 H ATOM 51967 OH2 TIP3 9024 4.654 -1.778 -1.859 1.00 0.00 WT4 O ATOM 51968 H1 TIP3 9024 -8.116 -0.707 -13.782 1.00 0.00 WT4 H ATOM 51969 H2 TIP3 9024 6.006 -11.977 -37.201 1.00 0.00 WT4 H ATOM 51970 OH2 TIP3 9039 7.704 -0.472 -1.447 1.00 0.00 WT4 O ATOM 51971 H1 TIP3 9039 7.869 9.313 5.763 1.00 0.00 WT4 H ATOM 51972 H2 TIP3 9039 15.652 19.931 1.364 1.00 0.00 WT4 H ATOM 51973 OH2 TIP3 9047 -8.866 -3.129 -0.519 1.00 0.00 WT4 O ATOM 51974 H1 TIP3 9047 -4.982 7.657 -9.218 1.00 0.00 WT4 H ATOM 51975 H2 TIP3 9047 -14.556 -15.900 11.230 1.00 0.00 WT4 H ATOM 51976 OH2 TIP3 9054 2.408 -1.833 5.514 1.00 0.00 WT4 O ATOM 51977 H1 TIP3 9054 -10.221 -14.673 3.457 1.00 0.00 WT4 H ATOM 51978 H2 TIP3 9054 -11.497 -15.987 3.420 1.00 0.00 WT4 H ATOM 51979 OH2 TIP3 9055 -4.874 2.066 4.712 1.00 0.00 WT4 O ATOM 51980 H1 TIP3 9055 -11.913 -4.509 2.500 1.00 0.00 WT4 H ATOM 51981 H2 TIP3 9055 -2.517 9.621 6.131 1.00 0.00 WT4 H ATOM 51982 OH2 TIP3 9060 6.108 -0.169 -1.716 1.00 0.00 WT4 O ATOM 51983 H1 TIP3 9060 -5.992 1.762 -11.211 1.00 0.00 WT4 H ATOM 51984 H2 TIP3 9060 4.097 -0.158 3.426 1.00 0.00 WT4 H ATOM 51985 OH2 TIP3 9072 -0.981 -4.922 -1.853 1.00 0.00 WT4 O ATOM 51986 H1 TIP3 9072 -2.355 -5.772 -4.445 1.00 0.00 WT4 H ATOM 51987 H2 TIP3 9072 8.446 1.555 17.072 1.00 0.00 WT4 H ATOM 51988 OH2 TIP3 9082 -0.516 1.434 5.515 1.00 0.00 WT4 O ATOM 51989 H1 TIP3 9082 6.895 -5.793 -22.392 1.00 0.00 WT4 H ATOM 51990 H2 TIP3 9082 25.274 -6.715 15.773 1.00 0.00 WT4 H ATOM 51991 OH2 TIP3 9094 4.474 -0.459 1.015 1.00 0.00 WT4 O ATOM 51992 H1 TIP3 9094 9.779 -7.186 22.815 1.00 0.00 WT4 H ATOM 51993 H2 TIP3 9094 5.758 -3.457 9.746 1.00 0.00 WT4 H ATOM 51994 OH2 TIP3 9096 -1.774 -1.177 0.061 1.00 0.00 WT4 O ATOM 51995 H1 TIP3 9096 -0.031 -20.302 -4.829 1.00 0.00 WT4 H ATOM 51996 H2 TIP3 9096 6.328 -20.416 1.941 1.00 0.00 WT4 H ATOM 51997 OH2 TIP3 9117 -2.766 -1.389 -4.889 1.00 0.00 WT4 O ATOM 51998 H1 TIP3 9117 -3.173 -7.964 -3.325 1.00 0.00 WT4 H ATOM 51999 H2 TIP3 9117 -3.816 6.531 6.857 1.00 0.00 WT4 H ATOM 52000 OH2 TIP3 9201 2.610 3.591 2.058 1.00 0.00 WT4 O ATOM 52001 H1 TIP3 9201 -12.771 10.807 -6.420 1.00 0.00 WT4 H ATOM 52002 H2 TIP3 9201 9.222 -14.809 -8.211 1.00 0.00 WT4 H ATOM 52003 OH2 TIP3 9226 0.980 -6.849 -1.844 1.00 0.00 WT4 O ATOM 52004 H1 TIP3 9226 -4.650 -9.274 2.586 1.00 0.00 WT4 H ATOM 52005 H2 TIP3 9226 -1.556 -7.986 0.477 1.00 0.00 WT4 H ATOM 52006 OH2 TIP3 9241 2.799 -8.003 -2.373 1.00 0.00 WT4 O ATOM 52007 H1 TIP3 9241 -4.050 8.680 -1.944 1.00 0.00 WT4 H ATOM 52008 H2 TIP3 9241 -7.245 12.341 3.873 1.00 0.00 WT4 H ATOM 52009 OH2 TIP3 9243 -2.074 -5.318 1.645 1.00 0.00 WT4 O ATOM 52010 H1 TIP3 9243 5.991 -8.788 11.398 1.00 0.00 WT4 H ATOM 52011 H2 TIP3 9243 5.664 -9.285 11.767 1.00 0.00 WT4 H ATOM 52012 OH2 TIP3 9246 4.610 -2.489 -8.456 1.00 0.00 WT4 O ATOM 52013 H1 TIP3 9246 -0.563 9.976 -17.089 1.00 0.00 WT4 H ATOM 52014 H2 TIP3 9246 -5.636 -12.036 -6.599 1.00 0.00 WT4 H ATOM 52015 OH2 TIP3 9250 4.298 0.285 -4.446 1.00 0.00 WT4 O ATOM 52016 H1 TIP3 9250 15.608 2.391 -6.234 1.00 0.00 WT4 H ATOM 52017 H2 TIP3 9250 -36.204 -3.426 -17.577 1.00 0.00 WT4 H ATOM 52018 OH2 TIP3 9261 1.035 0.757 3.367 1.00 0.00 WT4 O ATOM 52019 H1 TIP3 9261 2.117 3.702 10.291 1.00 0.00 WT4 H ATOM 52020 H2 TIP3 9261 -0.004 -5.870 3.710 1.00 0.00 WT4 H ATOM 52021 OH2 TIP3 2 -3.160 -2.133 4.126 1.00 0.00 WT5 O ATOM 52022 H1 TIP3 2 -2.717 -17.620 -9.800 1.00 0.00 WT5 H ATOM 52023 H2 TIP3 2 4.332 -1.962 -6.702 1.00 0.00 WT5 H ATOM 52024 OH2 TIP3 5 3.065 0.089 2.141 1.00 0.00 WT5 O ATOM 52025 H1 TIP3 5 10.704 -33.386 6.554 1.00 0.00 WT5 H ATOM 52026 H2 TIP3 5 -16.078 4.691 -8.851 1.00 0.00 WT5 H ATOM 52027 OH2 TIP3 8 -5.252 5.680 -1.027 1.00 0.00 WT5 O ATOM 52028 H1 TIP3 8 -18.020 -11.946 -15.004 1.00 0.00 WT5 H ATOM 52029 H2 TIP3 8 -7.445 -9.660 -11.017 1.00 0.00 WT5 H ATOM 52030 OH2 TIP3 14 -4.194 -0.549 -0.042 1.00 0.00 WT5 O ATOM 52031 H1 TIP3 14 -9.993 0.217 7.690 1.00 0.00 WT5 H ATOM 52032 H2 TIP3 14 -8.317 -12.656 -7.149 1.00 0.00 WT5 H ATOM 52033 OH2 TIP3 15 -2.158 -4.884 1.190 1.00 0.00 WT5 O ATOM 52034 H1 TIP3 15 -2.987 -10.166 -1.226 1.00 0.00 WT5 H ATOM 52035 H2 TIP3 15 -0.753 -0.768 7.632 1.00 0.00 WT5 H ATOM 52036 OH2 TIP3 19 0.570 -0.419 0.537 1.00 0.00 WT5 O ATOM 52037 H1 TIP3 19 3.609 -0.780 0.538 1.00 0.00 WT5 H ATOM 52038 H2 TIP3 19 0.806 -0.602 2.270 1.00 0.00 WT5 H ATOM 52039 OH2 TIP3 40 -0.125 5.517 -8.076 1.00 0.00 WT5 O ATOM 52040 H1 TIP3 40 10.875 -8.265 0.666 1.00 0.00 WT5 H ATOM 52041 H2 TIP3 40 7.403 -1.329 -0.544 1.00 0.00 WT5 H ATOM 52042 OH2 TIP3 42 1.810 -3.281 -1.577 1.00 0.00 WT5 O ATOM 52043 H1 TIP3 42 -18.472 -3.828 3.801 1.00 0.00 WT5 H ATOM 52044 H2 TIP3 42 28.676 -5.100 -10.032 1.00 0.00 WT5 H ATOM 52045 OH2 TIP3 44 4.529 -0.156 -0.015 1.00 0.00 WT5 O ATOM 52046 H1 TIP3 44 -3.613 21.173 20.581 1.00 0.00 WT5 H ATOM 52047 H2 TIP3 44 -8.595 13.563 6.870 1.00 0.00 WT5 H ATOM 52048 OH2 TIP3 48 0.247 -0.347 -2.440 1.00 0.00 WT5 O ATOM 52049 H1 TIP3 48 0.609 -8.079 -20.629 1.00 0.00 WT5 H ATOM 52050 H2 TIP3 48 14.746 -9.884 -7.354 1.00 0.00 WT5 H ATOM 52051 OH2 TIP3 52 4.582 -5.181 4.545 1.00 0.00 WT5 O ATOM 52052 H1 TIP3 52 -3.987 5.618 6.234 1.00 0.00 WT5 H ATOM 52053 H2 TIP3 52 10.383 -12.786 0.216 1.00 0.00 WT5 H ATOM 52054 OH2 TIP3 53 4.676 1.443 -4.268 1.00 0.00 WT5 O ATOM 52055 H1 TIP3 53 3.546 9.994 1.893 1.00 0.00 WT5 H ATOM 52056 H2 TIP3 53 5.491 -4.343 -7.440 1.00 0.00 WT5 H ATOM 52057 OH2 TIP3 55 -1.663 1.471 -1.054 1.00 0.00 WT5 O ATOM 52058 H1 TIP3 55 -13.196 1.214 3.405 1.00 0.00 WT5 H ATOM 52059 H2 TIP3 55 13.244 -1.342 -5.708 1.00 0.00 WT5 H ATOM 52060 OH2 TIP3 61 3.630 5.747 -7.098 1.00 0.00 WT5 O ATOM 52061 H1 TIP3 61 -10.494 2.620 -6.135 1.00 0.00 WT5 H ATOM 52062 H2 TIP3 61 -2.624 2.039 12.078 1.00 0.00 WT5 H ATOM 52063 OH2 TIP3 65 -1.845 1.898 3.152 1.00 0.00 WT5 O ATOM 52064 H1 TIP3 65 3.152 4.975 -5.218 1.00 0.00 WT5 H ATOM 52065 H2 TIP3 65 -5.794 -3.099 -5.771 1.00 0.00 WT5 H ATOM 52066 OH2 TIP3 67 0.016 2.852 4.648 1.00 0.00 WT5 O ATOM 52067 H1 TIP3 67 -0.752 6.006 6.614 1.00 0.00 WT5 H ATOM 52068 H2 TIP3 67 -8.623 -0.727 48.721 1.00 0.00 WT5 H ATOM 52069 OH2 TIP3 77 -2.952 7.260 -4.050 1.00 0.00 WT5 O ATOM 52070 H1 TIP3 77 17.247 -8.856 24.025 1.00 0.00 WT5 H ATOM 52071 H2 TIP3 77 19.270 -1.612 -30.924 1.00 0.00 WT5 H ATOM 52072 OH2 TIP3 78 0.547 -11.034 -2.777 1.00 0.00 WT5 O ATOM 52073 H1 TIP3 78 17.570 -20.560 5.284 1.00 0.00 WT5 H ATOM 52074 H2 TIP3 78 8.296 12.199 -0.057 1.00 0.00 WT5 H ATOM 52075 OH2 TIP3 87 -1.419 14.615 5.319 1.00 0.00 WT5 O ATOM 52076 H1 TIP3 87 9.519 -11.565 -1.831 1.00 0.00 WT5 H ATOM 52077 H2 TIP3 87 1.486 0.326 -1.477 1.00 0.00 WT5 H ATOM 52078 OH2 TIP3 89 4.503 1.471 -5.345 1.00 0.00 WT5 O ATOM 52079 H1 TIP3 89 -7.532 -1.502 10.757 1.00 0.00 WT5 H ATOM 52080 H2 TIP3 89 -16.125 -4.954 22.528 1.00 0.00 WT5 H ATOM 52081 OH2 TIP3 94 1.674 9.293 0.934 1.00 0.00 WT5 O ATOM 52082 H1 TIP3 94 -10.673 16.239 -0.072 1.00 0.00 WT5 H ATOM 52083 H2 TIP3 94 -6.657 10.182 -15.534 1.00 0.00 WT5 H ATOM 52084 OH2 TIP3 95 9.163 -4.831 6.166 1.00 0.00 WT5 O ATOM 52085 H1 TIP3 95 18.081 -29.033 -16.522 1.00 0.00 WT5 H ATOM 52086 H2 TIP3 95 10.878 8.786 -3.755 1.00 0.00 WT5 H ATOM 52087 OH2 TIP3 103 -3.607 -0.814 -7.984 1.00 0.00 WT5 O ATOM 52088 H1 TIP3 103 20.047 -0.479 -20.191 1.00 0.00 WT5 H ATOM 52089 H2 TIP3 103 -20.381 -11.797 -13.589 1.00 0.00 WT5 H ATOM 52090 OH2 TIP3 113 -3.594 4.227 9.107 1.00 0.00 WT5 O ATOM 52091 H1 TIP3 113 -8.604 3.260 9.850 1.00 0.00 WT5 H ATOM 52092 H2 TIP3 113 -11.703 -3.446 -4.399 1.00 0.00 WT5 H ATOM 52093 OH2 TIP3 115 -9.111 7.223 -1.160 1.00 0.00 WT5 O ATOM 52094 H1 TIP3 115 -8.937 29.109 -22.091 1.00 0.00 WT5 H ATOM 52095 H2 TIP3 115 8.329 -17.264 -14.174 1.00 0.00 WT5 H ATOM 52096 OH2 TIP3 122 -3.541 8.023 3.901 1.00 0.00 WT5 O ATOM 52097 H1 TIP3 122 -3.794 5.050 -8.785 1.00 0.00 WT5 H ATOM 52098 H2 TIP3 122 -0.868 10.510 10.457 1.00 0.00 WT5 H ATOM 52099 OH2 TIP3 128 1.290 -3.558 -2.921 1.00 0.00 WT5 O ATOM 52100 H1 TIP3 128 2.808 -8.621 -2.996 1.00 0.00 WT5 H ATOM 52101 H2 TIP3 128 -0.038 -2.379 -9.610 1.00 0.00 WT5 H ATOM 52102 OH2 TIP3 135 4.227 -5.357 -3.127 1.00 0.00 WT5 O ATOM 52103 H1 TIP3 135 -20.115 2.612 -21.778 1.00 0.00 WT5 H ATOM 52104 H2 TIP3 135 7.031 -4.256 1.376 1.00 0.00 WT5 H ATOM 52105 OH2 TIP3 137 10.358 -0.310 3.659 1.00 0.00 WT5 O ATOM 52106 H1 TIP3 137 13.463 2.117 2.788 1.00 0.00 WT5 H ATOM 52107 H2 TIP3 137 -15.880 -5.733 8.839 1.00 0.00 WT5 H ATOM 52108 OH2 TIP3 149 -3.341 -3.338 -6.368 1.00 0.00 WT5 O ATOM 52109 H1 TIP3 149 -20.472 0.659 -8.443 1.00 0.00 WT5 H ATOM 52110 H2 TIP3 149 5.086 8.821 0.175 1.00 0.00 WT5 H ATOM 52111 OH2 TIP3 150 3.996 -1.618 4.984 1.00 0.00 WT5 O ATOM 52112 H1 TIP3 150 11.746 -10.587 3.106 1.00 0.00 WT5 H ATOM 52113 H2 TIP3 150 12.494 4.203 16.455 1.00 0.00 WT5 H ATOM 52114 OH2 TIP3 153 1.530 -2.451 0.702 1.00 0.00 WT5 O ATOM 52115 H1 TIP3 153 -7.405 -9.016 -0.072 1.00 0.00 WT5 H ATOM 52116 H2 TIP3 153 -4.621 7.058 0.477 1.00 0.00 WT5 H ATOM 52117 OH2 TIP3 155 10.420 -0.167 -7.996 1.00 0.00 WT5 O ATOM 52118 H1 TIP3 155 -2.210 -3.993 -8.714 1.00 0.00 WT5 H ATOM 52119 H2 TIP3 155 8.811 -28.804 -3.822 1.00 0.00 WT5 H ATOM 52120 OH2 TIP3 165 1.642 -1.837 1.250 1.00 0.00 WT5 O ATOM 52121 H1 TIP3 165 3.938 -0.764 6.311 1.00 0.00 WT5 H ATOM 52122 H2 TIP3 165 -6.710 20.990 -0.977 1.00 0.00 WT5 H ATOM 52123 OH2 TIP3 167 -4.557 0.540 0.592 1.00 0.00 WT5 O ATOM 52124 H1 TIP3 167 15.195 3.890 6.272 1.00 0.00 WT5 H ATOM 52125 H2 TIP3 167 -4.366 -26.937 10.126 1.00 0.00 WT5 H ATOM 52126 OH2 TIP3 174 4.163 -5.382 3.286 1.00 0.00 WT5 O ATOM 52127 H1 TIP3 174 29.534 -13.167 -5.250 1.00 0.00 WT5 H ATOM 52128 H2 TIP3 174 5.869 -7.036 21.682 1.00 0.00 WT5 H ATOM 52129 OH2 TIP3 175 -1.312 5.936 3.864 1.00 0.00 WT5 O ATOM 52130 H1 TIP3 175 -5.309 7.204 14.975 1.00 0.00 WT5 H ATOM 52131 H2 TIP3 175 4.063 -20.297 -27.821 1.00 0.00 WT5 H ATOM 52132 OH2 TIP3 177 7.674 0.156 3.959 1.00 0.00 WT5 O ATOM 52133 H1 TIP3 177 -3.735 12.557 -7.310 1.00 0.00 WT5 H ATOM 52134 H2 TIP3 177 3.265 -7.854 -13.647 1.00 0.00 WT5 H ATOM 52135 OH2 TIP3 178 -3.359 2.466 -4.651 1.00 0.00 WT5 O ATOM 52136 H1 TIP3 178 -4.928 -13.015 -15.106 1.00 0.00 WT5 H ATOM 52137 H2 TIP3 178 13.845 -5.108 -18.422 1.00 0.00 WT5 H ATOM 52138 OH2 TIP3 191 -3.715 -2.197 2.500 1.00 0.00 WT5 O ATOM 52139 H1 TIP3 191 5.372 -12.049 18.429 1.00 0.00 WT5 H ATOM 52140 H2 TIP3 191 -4.895 -2.104 -5.316 1.00 0.00 WT5 H ATOM 52141 OH2 TIP3 194 -3.973 2.497 1.302 1.00 0.00 WT5 O ATOM 52142 H1 TIP3 194 0.405 -0.754 14.622 1.00 0.00 WT5 H ATOM 52143 H2 TIP3 194 -9.466 -8.581 -12.034 1.00 0.00 WT5 H ATOM 52144 OH2 TIP3 195 2.541 1.798 1.373 1.00 0.00 WT5 O ATOM 52145 H1 TIP3 195 16.664 -7.930 -4.632 1.00 0.00 WT5 H ATOM 52146 H2 TIP3 195 13.352 31.130 -7.437 1.00 0.00 WT5 H ATOM 52147 OH2 TIP3 196 4.714 -1.794 0.306 1.00 0.00 WT5 O ATOM 52148 H1 TIP3 196 9.727 -3.812 4.312 1.00 0.00 WT5 H ATOM 52149 H2 TIP3 196 -9.062 15.414 -0.175 1.00 0.00 WT5 H ATOM 52150 OH2 TIP3 201 0.897 -3.864 -0.092 1.00 0.00 WT5 O ATOM 52151 H1 TIP3 201 -11.126 -19.380 -15.215 1.00 0.00 WT5 H ATOM 52152 H2 TIP3 201 -18.592 5.844 9.490 1.00 0.00 WT5 H ATOM 52153 OH2 TIP3 205 -5.274 -5.466 4.893 1.00 0.00 WT5 O ATOM 52154 H1 TIP3 205 -3.205 -12.415 8.370 1.00 0.00 WT5 H ATOM 52155 H2 TIP3 205 -6.884 -1.395 11.364 1.00 0.00 WT5 H ATOM 52156 OH2 TIP3 213 -1.127 -2.725 -3.249 1.00 0.00 WT5 O ATOM 52157 H1 TIP3 213 -4.427 11.881 -5.786 1.00 0.00 WT5 H ATOM 52158 H2 TIP3 213 -0.262 -9.213 4.674 1.00 0.00 WT5 H ATOM 52159 OH2 TIP3 225 4.685 -5.426 3.970 1.00 0.00 WT5 O ATOM 52160 H1 TIP3 225 -40.288 -0.401 -22.957 1.00 0.00 WT5 H ATOM 52161 H2 TIP3 225 19.176 -37.296 -21.752 1.00 0.00 WT5 H ATOM 52162 OH2 TIP3 227 -3.709 -4.450 0.423 1.00 0.00 WT5 O ATOM 52163 H1 TIP3 227 -9.993 10.048 -0.768 1.00 0.00 WT5 H ATOM 52164 H2 TIP3 227 -2.436 4.523 22.010 1.00 0.00 WT5 H ATOM 52165 OH2 TIP3 234 1.486 -6.517 1.116 1.00 0.00 WT5 O ATOM 52166 H1 TIP3 234 0.778 -0.037 -18.394 1.00 0.00 WT5 H ATOM 52167 H2 TIP3 234 5.087 12.063 7.396 1.00 0.00 WT5 H ATOM 52168 OH2 TIP3 237 -3.285 0.680 -0.342 1.00 0.00 WT5 O ATOM 52169 H1 TIP3 237 -18.005 -7.581 -10.597 1.00 0.00 WT5 H ATOM 52170 H2 TIP3 237 0.709 -12.726 -1.586 1.00 0.00 WT5 H ATOM 52171 OH2 TIP3 248 -6.215 -1.724 1.823 1.00 0.00 WT5 O ATOM 52172 H1 TIP3 248 -8.583 -5.243 -4.392 1.00 0.00 WT5 H ATOM 52173 H2 TIP3 248 11.363 2.734 4.545 1.00 0.00 WT5 H ATOM 52174 OH2 TIP3 250 -3.777 -4.010 -2.008 1.00 0.00 WT5 O ATOM 52175 H1 TIP3 250 1.810 15.166 -15.752 1.00 0.00 WT5 H ATOM 52176 H2 TIP3 250 -10.895 -20.705 12.801 1.00 0.00 WT5 H ATOM 52177 OH2 TIP3 261 -5.199 0.345 -0.899 1.00 0.00 WT5 O ATOM 52178 H1 TIP3 261 0.221 3.439 1.571 1.00 0.00 WT5 H ATOM 52179 H2 TIP3 261 6.276 -6.995 -23.305 1.00 0.00 WT5 H ATOM 52180 OH2 TIP3 267 -3.848 -0.396 -4.022 1.00 0.00 WT5 O ATOM 52181 H1 TIP3 267 15.860 -28.925 -11.369 1.00 0.00 WT5 H ATOM 52182 H2 TIP3 267 -15.762 10.119 3.997 1.00 0.00 WT5 H ATOM 52183 OH2 TIP3 268 -0.121 3.939 4.020 1.00 0.00 WT5 O ATOM 52184 H1 TIP3 268 -14.518 -1.648 8.860 1.00 0.00 WT5 H ATOM 52185 H2 TIP3 268 -21.139 -10.003 13.651 1.00 0.00 WT5 H ATOM 52186 OH2 TIP3 283 -2.781 2.264 -2.656 1.00 0.00 WT5 O ATOM 52187 H1 TIP3 283 -8.423 -6.775 -6.230 1.00 0.00 WT5 H ATOM 52188 H2 TIP3 283 2.330 -1.624 12.014 1.00 0.00 WT5 H ATOM 52189 OH2 TIP3 292 -7.667 -9.112 -1.169 1.00 0.00 WT5 O ATOM 52190 H1 TIP3 292 -4.313 -9.551 0.702 1.00 0.00 WT5 H ATOM 52191 H2 TIP3 292 2.517 0.820 -3.693 1.00 0.00 WT5 H ATOM 52192 OH2 TIP3 303 -2.658 -0.580 0.085 1.00 0.00 WT5 O ATOM 52193 H1 TIP3 303 -9.245 5.450 -8.757 1.00 0.00 WT5 H ATOM 52194 H2 TIP3 303 1.655 10.649 10.540 1.00 0.00 WT5 H ATOM 52195 OH2 TIP3 306 0.604 -2.018 7.535 1.00 0.00 WT5 O ATOM 52196 H1 TIP3 306 -14.899 -4.165 5.847 1.00 0.00 WT5 H ATOM 52197 H2 TIP3 306 -25.345 -23.406 19.493 1.00 0.00 WT5 H ATOM 52198 OH2 TIP3 307 -0.845 -1.785 -8.572 1.00 0.00 WT5 O ATOM 52199 H1 TIP3 307 10.736 -24.247 11.006 1.00 0.00 WT5 H ATOM 52200 H2 TIP3 307 5.846 8.941 -3.736 1.00 0.00 WT5 H ATOM 52201 OH2 TIP3 309 4.647 6.876 1.641 1.00 0.00 WT5 O ATOM 52202 H1 TIP3 309 5.720 3.306 1.699 1.00 0.00 WT5 H ATOM 52203 H2 TIP3 309 6.562 8.063 -2.005 1.00 0.00 WT5 H ATOM 52204 OH2 TIP3 313 4.069 1.673 1.231 1.00 0.00 WT5 O ATOM 52205 H1 TIP3 313 -6.756 5.567 6.662 1.00 0.00 WT5 H ATOM 52206 H2 TIP3 313 5.549 9.303 -6.994 1.00 0.00 WT5 H ATOM 52207 OH2 TIP3 314 1.115 -7.894 -2.217 1.00 0.00 WT5 O ATOM 52208 H1 TIP3 314 -43.486 9.218 -7.798 1.00 0.00 WT5 H ATOM 52209 H2 TIP3 314 17.256 24.185 -16.930 1.00 0.00 WT5 H ATOM 52210 OH2 TIP3 323 2.971 0.314 -0.687 1.00 0.00 WT5 O ATOM 52211 H1 TIP3 323 -3.228 -5.652 -0.628 1.00 0.00 WT5 H ATOM 52212 H2 TIP3 323 1.421 -5.702 -3.589 1.00 0.00 WT5 H ATOM 52213 OH2 TIP3 325 -5.656 -9.293 -5.559 1.00 0.00 WT5 O ATOM 52214 H1 TIP3 325 -23.051 -0.476 -9.803 1.00 0.00 WT5 H ATOM 52215 H2 TIP3 325 2.353 -14.246 -3.277 1.00 0.00 WT5 H ATOM 52216 OH2 TIP3 327 -1.787 3.737 -1.389 1.00 0.00 WT5 O ATOM 52217 H1 TIP3 327 12.176 -12.955 -2.599 1.00 0.00 WT5 H ATOM 52218 H2 TIP3 327 -17.112 10.089 -5.644 1.00 0.00 WT5 H ATOM 52219 OH2 TIP3 328 0.439 4.673 7.039 1.00 0.00 WT5 O ATOM 52220 H1 TIP3 328 -1.926 -6.961 -13.554 1.00 0.00 WT5 H ATOM 52221 H2 TIP3 328 22.489 4.682 14.679 1.00 0.00 WT5 H ATOM 52222 OH2 TIP3 329 -1.717 0.058 -6.645 1.00 0.00 WT5 O ATOM 52223 H1 TIP3 329 23.523 28.056 -17.314 1.00 0.00 WT5 H ATOM 52224 H2 TIP3 329 -8.326 14.887 25.585 1.00 0.00 WT5 H ATOM 52225 OH2 TIP3 336 5.596 -4.499 -1.179 1.00 0.00 WT5 O ATOM 52226 H1 TIP3 336 -4.471 9.878 -3.497 1.00 0.00 WT5 H ATOM 52227 H2 TIP3 336 -18.085 22.290 -0.460 1.00 0.00 WT5 H ATOM 52228 OH2 TIP3 338 2.372 -0.226 1.305 1.00 0.00 WT5 O ATOM 52229 H1 TIP3 338 5.525 -4.564 17.623 1.00 0.00 WT5 H ATOM 52230 H2 TIP3 338 19.611 -13.732 -2.674 1.00 0.00 WT5 H ATOM 52231 OH2 TIP3 344 -7.298 -2.756 0.023 1.00 0.00 WT5 O ATOM 52232 H1 TIP3 344 -15.915 -7.278 8.112 1.00 0.00 WT5 H ATOM 52233 H2 TIP3 344 6.635 -7.884 -11.181 1.00 0.00 WT5 H ATOM 52234 OH2 TIP3 347 7.927 -0.793 -3.350 1.00 0.00 WT5 O ATOM 52235 H1 TIP3 347 7.345 14.085 4.143 1.00 0.00 WT5 H ATOM 52236 H2 TIP3 347 -0.773 -0.565 6.169 1.00 0.00 WT5 H ATOM 52237 OH2 TIP3 352 -1.261 1.194 -1.711 1.00 0.00 WT5 O ATOM 52238 H1 TIP3 352 -8.683 11.572 -24.264 1.00 0.00 WT5 H ATOM 52239 H2 TIP3 352 2.706 -2.938 -0.855 1.00 0.00 WT5 H ATOM 52240 OH2 TIP3 359 -2.508 7.692 3.102 1.00 0.00 WT5 O ATOM 52241 H1 TIP3 359 4.007 -5.715 -6.017 1.00 0.00 WT5 H ATOM 52242 H2 TIP3 359 -17.661 4.436 -0.302 1.00 0.00 WT5 H ATOM 52243 OH2 TIP3 372 10.109 0.144 2.218 1.00 0.00 WT5 O ATOM 52244 H1 TIP3 372 20.640 -6.394 8.288 1.00 0.00 WT5 H ATOM 52245 H2 TIP3 372 3.895 0.166 -0.819 1.00 0.00 WT5 H ATOM 52246 OH2 TIP3 379 -6.354 -9.532 -1.110 1.00 0.00 WT5 O ATOM 52247 H1 TIP3 379 -11.836 -8.970 -4.076 1.00 0.00 WT5 H ATOM 52248 H2 TIP3 379 6.208 -6.047 0.788 1.00 0.00 WT5 H ATOM 52249 OH2 TIP3 384 5.874 -1.953 -3.827 1.00 0.00 WT5 O ATOM 52250 H1 TIP3 384 8.098 -1.432 -6.028 1.00 0.00 WT5 H ATOM 52251 H2 TIP3 384 15.154 1.052 -16.201 1.00 0.00 WT5 H ATOM 52252 OH2 TIP3 389 2.880 -2.336 -2.233 1.00 0.00 WT5 O ATOM 52253 H1 TIP3 389 7.867 -4.307 -10.885 1.00 0.00 WT5 H ATOM 52254 H2 TIP3 389 3.352 1.252 23.093 1.00 0.00 WT5 H ATOM 52255 OH2 TIP3 391 -1.119 2.909 -1.952 1.00 0.00 WT5 O ATOM 52256 H1 TIP3 391 5.932 -11.606 -3.549 1.00 0.00 WT5 H ATOM 52257 H2 TIP3 391 4.833 -28.699 -4.482 1.00 0.00 WT5 H ATOM 52258 OH2 TIP3 399 3.190 0.007 8.988 1.00 0.00 WT5 O ATOM 52259 H1 TIP3 399 11.268 -10.968 9.275 1.00 0.00 WT5 H ATOM 52260 H2 TIP3 399 18.965 -20.022 10.181 1.00 0.00 WT5 H ATOM 52261 OH2 TIP3 400 9.708 9.642 -2.703 1.00 0.00 WT5 O ATOM 52262 H1 TIP3 400 0.692 7.420 2.100 1.00 0.00 WT5 H ATOM 52263 H2 TIP3 400 9.919 -4.716 0.094 1.00 0.00 WT5 H ATOM 52264 OH2 TIP3 401 3.564 4.821 -2.699 1.00 0.00 WT5 O ATOM 52265 H1 TIP3 401 -2.025 7.523 -17.044 1.00 0.00 WT5 H ATOM 52266 H2 TIP3 401 10.661 -2.359 -9.006 1.00 0.00 WT5 H ATOM 52267 OH2 TIP3 409 2.432 -4.648 -4.307 1.00 0.00 WT5 O ATOM 52268 H1 TIP3 409 11.958 4.842 5.580 1.00 0.00 WT5 H ATOM 52269 H2 TIP3 409 11.073 -14.135 -0.945 1.00 0.00 WT5 H ATOM 52270 OH2 TIP3 417 -6.194 -0.908 -3.971 1.00 0.00 WT5 O ATOM 52271 H1 TIP3 417 -6.867 -8.114 -3.651 1.00 0.00 WT5 H ATOM 52272 H2 TIP3 417 -6.171 7.824 -4.919 1.00 0.00 WT5 H ATOM 52273 OH2 TIP3 418 -3.578 0.408 0.170 1.00 0.00 WT5 O ATOM 52274 H1 TIP3 418 -0.946 16.394 17.296 1.00 0.00 WT5 H ATOM 52275 H2 TIP3 418 -4.445 -10.539 21.854 1.00 0.00 WT5 H ATOM 52276 OH2 TIP3 422 -0.958 -7.207 5.189 1.00 0.00 WT5 O ATOM 52277 H1 TIP3 422 -8.996 12.429 11.582 1.00 0.00 WT5 H ATOM 52278 H2 TIP3 422 -6.116 -29.117 -16.223 1.00 0.00 WT5 H ATOM 52279 OH2 TIP3 425 3.917 1.130 4.494 1.00 0.00 WT5 O ATOM 52280 H1 TIP3 425 -2.225 0.767 2.220 1.00 0.00 WT5 H ATOM 52281 H2 TIP3 425 9.074 -1.921 4.555 1.00 0.00 WT5 H ATOM 52282 OH2 TIP3 431 -2.849 -6.621 -3.271 1.00 0.00 WT5 O ATOM 52283 H1 TIP3 431 -7.527 -10.788 -11.592 1.00 0.00 WT5 H ATOM 52284 H2 TIP3 431 -2.131 -4.974 -0.171 1.00 0.00 WT5 H ATOM 52285 OH2 TIP3 433 -0.803 -1.969 4.062 1.00 0.00 WT5 O ATOM 52286 H1 TIP3 433 -3.254 5.564 0.835 1.00 0.00 WT5 H ATOM 52287 H2 TIP3 433 1.781 10.103 -6.241 1.00 0.00 WT5 H ATOM 52288 OH2 TIP3 460 -1.827 -0.287 2.685 1.00 0.00 WT5 O ATOM 52289 H1 TIP3 460 -12.866 8.163 -0.517 1.00 0.00 WT5 H ATOM 52290 H2 TIP3 460 1.109 9.579 -10.142 1.00 0.00 WT5 H ATOM 52291 OH2 TIP3 462 -1.410 1.324 0.372 1.00 0.00 WT5 O ATOM 52292 H1 TIP3 462 8.023 7.056 16.282 1.00 0.00 WT5 H ATOM 52293 H2 TIP3 462 -9.641 5.532 -3.948 1.00 0.00 WT5 H ATOM 52294 OH2 TIP3 463 -3.191 -0.540 0.191 1.00 0.00 WT5 O ATOM 52295 H1 TIP3 463 6.233 -25.804 14.880 1.00 0.00 WT5 H ATOM 52296 H2 TIP3 463 -9.137 7.232 6.861 1.00 0.00 WT5 H ATOM 52297 OH2 TIP3 470 -1.147 7.241 0.951 1.00 0.00 WT5 O ATOM 52298 H1 TIP3 470 0.406 -13.524 -29.668 1.00 0.00 WT5 H ATOM 52299 H2 TIP3 470 11.731 18.867 -11.747 1.00 0.00 WT5 H ATOM 52300 OH2 TIP3 472 -0.700 -2.688 6.260 1.00 0.00 WT5 O ATOM 52301 H1 TIP3 472 17.270 -4.912 -4.475 1.00 0.00 WT5 H ATOM 52302 H2 TIP3 472 9.336 16.313 -10.279 1.00 0.00 WT5 H ATOM 52303 OH2 TIP3 480 0.573 4.325 2.453 1.00 0.00 WT5 O ATOM 52304 H1 TIP3 480 23.943 2.884 20.110 1.00 0.00 WT5 H ATOM 52305 H2 TIP3 480 4.746 -3.786 4.456 1.00 0.00 WT5 H ATOM 52306 OH2 TIP3 481 -0.600 3.684 3.084 1.00 0.00 WT5 O ATOM 52307 H1 TIP3 481 -0.566 -0.539 5.383 1.00 0.00 WT5 H ATOM 52308 H2 TIP3 481 -1.889 2.633 -2.278 1.00 0.00 WT5 H ATOM 52309 OH2 TIP3 485 -2.845 0.244 2.194 1.00 0.00 WT5 O ATOM 52310 H1 TIP3 485 -2.657 -5.250 38.540 1.00 0.00 WT5 H ATOM 52311 H2 TIP3 485 7.188 -4.915 -8.522 1.00 0.00 WT5 H ATOM 52312 OH2 TIP3 486 -4.474 -2.258 -7.175 1.00 0.00 WT5 O ATOM 52313 H1 TIP3 486 -7.224 -10.544 -3.584 1.00 0.00 WT5 H ATOM 52314 H2 TIP3 486 -10.642 4.509 11.423 1.00 0.00 WT5 H ATOM 52315 OH2 TIP3 489 1.261 -5.500 7.092 1.00 0.00 WT5 O ATOM 52316 H1 TIP3 489 -0.198 -0.922 -9.650 1.00 0.00 WT5 H ATOM 52317 H2 TIP3 489 -7.541 -6.413 8.797 1.00 0.00 WT5 H ATOM 52318 OH2 TIP3 490 1.271 6.053 1.063 1.00 0.00 WT5 O ATOM 52319 H1 TIP3 490 11.305 6.779 -0.515 1.00 0.00 WT5 H ATOM 52320 H2 TIP3 490 -5.527 4.847 1.321 1.00 0.00 WT5 H ATOM 52321 OH2 TIP3 491 2.593 -0.506 4.651 1.00 0.00 WT5 O ATOM 52322 H1 TIP3 491 -2.680 2.567 -6.501 1.00 0.00 WT5 H ATOM 52323 H2 TIP3 491 14.544 16.712 5.711 1.00 0.00 WT5 H ATOM 52324 OH2 TIP3 494 2.433 5.406 -0.875 1.00 0.00 WT5 O ATOM 52325 H1 TIP3 494 4.493 2.127 -1.126 1.00 0.00 WT5 H ATOM 52326 H2 TIP3 494 14.087 3.292 -5.416 1.00 0.00 WT5 H ATOM 52327 OH2 TIP3 496 -3.334 1.902 -1.176 1.00 0.00 WT5 O ATOM 52328 H1 TIP3 496 0.415 -5.847 0.846 1.00 0.00 WT5 H ATOM 52329 H2 TIP3 496 0.539 0.015 -9.014 1.00 0.00 WT5 H ATOM 52330 OH2 TIP3 501 -4.921 -1.084 1.473 1.00 0.00 WT5 O ATOM 52331 H1 TIP3 501 -5.442 -2.017 8.570 1.00 0.00 WT5 H ATOM 52332 H2 TIP3 501 -6.078 -5.984 10.861 1.00 0.00 WT5 H ATOM 52333 OH2 TIP3 502 -0.024 3.666 -2.527 1.00 0.00 WT5 O ATOM 52334 H1 TIP3 502 10.765 -3.999 1.649 1.00 0.00 WT5 H ATOM 52335 H2 TIP3 502 -1.033 -37.264 30.903 1.00 0.00 WT5 H ATOM 52336 OH2 TIP3 503 -0.727 1.392 -7.469 1.00 0.00 WT5 O ATOM 52337 H1 TIP3 503 -22.472 -11.769 10.358 1.00 0.00 WT5 H ATOM 52338 H2 TIP3 503 6.164 3.572 -11.629 1.00 0.00 WT5 H ATOM 52339 OH2 TIP3 506 1.697 -0.115 1.075 1.00 0.00 WT5 O ATOM 52340 H1 TIP3 506 5.544 -27.703 -6.126 1.00 0.00 WT5 H ATOM 52341 H2 TIP3 506 14.162 -2.919 0.547 1.00 0.00 WT5 H ATOM 52342 OH2 TIP3 509 -0.999 -2.525 3.145 1.00 0.00 WT5 O ATOM 52343 H1 TIP3 509 -4.308 -6.799 -13.840 1.00 0.00 WT5 H ATOM 52344 H2 TIP3 509 7.896 -7.182 -5.522 1.00 0.00 WT5 H ATOM 52345 OH2 TIP3 511 -2.018 4.235 3.405 1.00 0.00 WT5 O ATOM 52346 H1 TIP3 511 -16.822 -7.728 3.786 1.00 0.00 WT5 H ATOM 52347 H2 TIP3 511 -36.888 -1.964 -5.757 1.00 0.00 WT5 H ATOM 52348 OH2 TIP3 515 7.244 -4.357 -2.592 1.00 0.00 WT5 O ATOM 52349 H1 TIP3 515 13.616 -10.363 -9.832 1.00 0.00 WT5 H ATOM 52350 H2 TIP3 515 13.583 -5.450 -33.967 1.00 0.00 WT5 H ATOM 52351 OH2 TIP3 516 3.587 13.211 5.796 1.00 0.00 WT5 O ATOM 52352 H1 TIP3 516 -7.096 -3.803 9.835 1.00 0.00 WT5 H ATOM 52353 H2 TIP3 516 10.356 3.210 4.223 1.00 0.00 WT5 H ATOM 52354 OH2 TIP3 520 0.883 -5.626 2.990 1.00 0.00 WT5 O ATOM 52355 H1 TIP3 520 -5.342 11.843 -1.715 1.00 0.00 WT5 H ATOM 52356 H2 TIP3 520 5.557 -2.532 8.920 1.00 0.00 WT5 H ATOM 52357 OH2 TIP3 521 -3.699 0.278 -7.977 1.00 0.00 WT5 O ATOM 52358 H1 TIP3 521 6.377 5.120 -13.362 1.00 0.00 WT5 H ATOM 52359 H2 TIP3 521 5.787 7.653 -15.225 1.00 0.00 WT5 H ATOM 52360 OH2 TIP3 526 0.494 -1.725 -3.628 1.00 0.00 WT5 O ATOM 52361 H1 TIP3 526 -5.120 2.989 4.305 1.00 0.00 WT5 H ATOM 52362 H2 TIP3 526 5.644 6.238 -8.713 1.00 0.00 WT5 H ATOM 52363 OH2 TIP3 540 2.834 -0.014 -3.268 1.00 0.00 WT5 O ATOM 52364 H1 TIP3 540 -14.580 -9.124 -5.888 1.00 0.00 WT5 H ATOM 52365 H2 TIP3 540 16.526 -10.363 -17.146 1.00 0.00 WT5 H ATOM 52366 OH2 TIP3 541 -0.412 -2.738 3.274 1.00 0.00 WT5 O ATOM 52367 H1 TIP3 541 18.241 -19.343 6.638 1.00 0.00 WT5 H ATOM 52368 H2 TIP3 541 7.007 23.663 -17.926 1.00 0.00 WT5 H ATOM 52369 OH2 TIP3 545 0.956 -5.803 -1.932 1.00 0.00 WT5 O ATOM 52370 H1 TIP3 545 1.762 -7.999 19.511 1.00 0.00 WT5 H ATOM 52371 H2 TIP3 545 -4.858 11.048 24.392 1.00 0.00 WT5 H ATOM 52372 OH2 TIP3 548 2.493 2.903 -0.614 1.00 0.00 WT5 O ATOM 52373 H1 TIP3 548 -12.829 22.134 5.797 1.00 0.00 WT5 H ATOM 52374 H2 TIP3 548 -39.936 10.578 -6.891 1.00 0.00 WT5 H ATOM 52375 OH2 TIP3 550 -3.519 -0.337 -1.789 1.00 0.00 WT5 O ATOM 52376 H1 TIP3 550 -1.723 25.506 -4.087 1.00 0.00 WT5 H ATOM 52377 H2 TIP3 550 -2.907 -3.958 -0.483 1.00 0.00 WT5 H ATOM 52378 OH2 TIP3 551 -5.524 2.383 0.647 1.00 0.00 WT5 O ATOM 52379 H1 TIP3 551 1.794 4.939 -9.891 1.00 0.00 WT5 H ATOM 52380 H2 TIP3 551 -7.837 11.721 5.548 1.00 0.00 WT5 H ATOM 52381 OH2 TIP3 555 0.661 -1.719 2.853 1.00 0.00 WT5 O ATOM 52382 H1 TIP3 555 -4.932 3.130 6.876 1.00 0.00 WT5 H ATOM 52383 H2 TIP3 555 -8.647 -0.102 0.907 1.00 0.00 WT5 H ATOM 52384 OH2 TIP3 556 4.794 7.361 1.638 1.00 0.00 WT5 O ATOM 52385 H1 TIP3 556 1.188 10.925 -9.436 1.00 0.00 WT5 H ATOM 52386 H2 TIP3 556 11.306 26.780 -7.875 1.00 0.00 WT5 H ATOM 52387 OH2 TIP3 562 7.272 4.869 -1.646 1.00 0.00 WT5 O ATOM 52388 H1 TIP3 562 14.688 -6.724 9.719 1.00 0.00 WT5 H ATOM 52389 H2 TIP3 562 -18.620 11.251 -10.628 1.00 0.00 WT5 H ATOM 52390 OH2 TIP3 564 1.613 5.096 -0.555 1.00 0.00 WT5 O ATOM 52391 H1 TIP3 564 13.229 4.838 6.327 1.00 0.00 WT5 H ATOM 52392 H2 TIP3 564 -9.199 -1.668 13.083 1.00 0.00 WT5 H ATOM 52393 OH2 TIP3 566 1.460 7.534 -6.482 1.00 0.00 WT5 O ATOM 52394 H1 TIP3 566 -0.606 5.177 1.478 1.00 0.00 WT5 H ATOM 52395 H2 TIP3 566 -4.033 1.806 -12.914 1.00 0.00 WT5 H ATOM 52396 OH2 TIP3 570 -3.620 -3.682 0.740 1.00 0.00 WT5 O ATOM 52397 H1 TIP3 570 2.735 10.176 29.147 1.00 0.00 WT5 H ATOM 52398 H2 TIP3 570 -1.163 -12.569 -7.972 1.00 0.00 WT5 H ATOM 52399 OH2 TIP3 573 -1.274 -3.012 -0.755 1.00 0.00 WT5 O ATOM 52400 H1 TIP3 573 -0.356 -5.820 -7.944 1.00 0.00 WT5 H ATOM 52401 H2 TIP3 573 -0.193 -11.453 -13.693 1.00 0.00 WT5 H ATOM 52402 OH2 TIP3 575 0.122 -4.529 -3.671 1.00 0.00 WT5 O ATOM 52403 H1 TIP3 575 2.284 -4.957 -3.667 1.00 0.00 WT5 H ATOM 52404 H2 TIP3 575 -3.880 2.179 -5.602 1.00 0.00 WT5 H ATOM 52405 OH2 TIP3 576 -5.890 1.669 -0.554 1.00 0.00 WT5 O ATOM 52406 H1 TIP3 576 -7.248 6.294 1.842 1.00 0.00 WT5 H ATOM 52407 H2 TIP3 576 -8.654 -3.940 1.187 1.00 0.00 WT5 H ATOM 52408 OH2 TIP3 578 -1.084 -0.855 -0.680 1.00 0.00 WT5 O ATOM 52409 H1 TIP3 578 -17.671 -21.588 -9.523 1.00 0.00 WT5 H ATOM 52410 H2 TIP3 578 -9.455 -19.352 -13.755 1.00 0.00 WT5 H ATOM 52411 OH2 TIP3 584 -1.261 0.142 -5.770 1.00 0.00 WT5 O ATOM 52412 H1 TIP3 584 2.050 -11.569 13.753 1.00 0.00 WT5 H ATOM 52413 H2 TIP3 584 8.662 19.097 -9.228 1.00 0.00 WT5 H ATOM 52414 OH2 TIP3 586 -2.342 -4.081 3.008 1.00 0.00 WT5 O ATOM 52415 H1 TIP3 586 -7.156 -1.740 5.114 1.00 0.00 WT5 H ATOM 52416 H2 TIP3 586 -8.345 -5.633 10.309 1.00 0.00 WT5 H ATOM 52417 OH2 TIP3 591 -6.628 3.392 0.222 1.00 0.00 WT5 O ATOM 52418 H1 TIP3 591 -7.657 19.655 13.629 1.00 0.00 WT5 H ATOM 52419 H2 TIP3 591 -3.184 20.018 7.058 1.00 0.00 WT5 H ATOM 52420 OH2 TIP3 593 -2.737 -2.078 -1.064 1.00 0.00 WT5 O ATOM 52421 H1 TIP3 593 -8.522 -10.545 -2.981 1.00 0.00 WT5 H ATOM 52422 H2 TIP3 593 0.496 0.476 -0.959 1.00 0.00 WT5 H ATOM 52423 OH2 TIP3 594 -2.361 -0.893 3.219 1.00 0.00 WT5 O ATOM 52424 H1 TIP3 594 -16.784 -13.423 -21.877 1.00 0.00 WT5 H ATOM 52425 H2 TIP3 594 11.848 -6.486 -4.032 1.00 0.00 WT5 H ATOM 52426 OH2 TIP3 599 0.369 -0.533 0.925 1.00 0.00 WT5 O ATOM 52427 H1 TIP3 599 -0.974 16.400 -7.903 1.00 0.00 WT5 H ATOM 52428 H2 TIP3 599 -11.256 -7.161 7.528 1.00 0.00 WT5 H ATOM 52429 OH2 TIP3 600 1.377 -0.668 0.202 1.00 0.00 WT5 O ATOM 52430 H1 TIP3 600 -1.295 -5.169 6.629 1.00 0.00 WT5 H ATOM 52431 H2 TIP3 600 -0.672 -6.602 1.857 1.00 0.00 WT5 H ATOM 52432 OH2 TIP3 602 0.294 6.133 3.837 1.00 0.00 WT5 O ATOM 52433 H1 TIP3 602 -6.416 4.018 8.734 1.00 0.00 WT5 H ATOM 52434 H2 TIP3 602 -2.996 2.593 -8.172 1.00 0.00 WT5 H ATOM 52435 OH2 TIP3 606 -3.340 1.723 -5.742 1.00 0.00 WT5 O ATOM 52436 H1 TIP3 606 -12.121 2.647 -12.927 1.00 0.00 WT5 H ATOM 52437 H2 TIP3 606 -12.106 -2.411 -0.614 1.00 0.00 WT5 H ATOM 52438 OH2 TIP3 610 -3.718 -3.803 6.712 1.00 0.00 WT5 O ATOM 52439 H1 TIP3 610 -10.070 5.560 -5.266 1.00 0.00 WT5 H ATOM 52440 H2 TIP3 610 6.672 -11.407 0.509 1.00 0.00 WT5 H ATOM 52441 OH2 TIP3 616 -8.231 3.649 2.388 1.00 0.00 WT5 O ATOM 52442 H1 TIP3 616 -11.484 -15.215 30.938 1.00 0.00 WT5 H ATOM 52443 H2 TIP3 616 6.854 -17.844 -20.281 1.00 0.00 WT5 H ATOM 52444 OH2 TIP3 626 -6.240 5.012 -3.517 1.00 0.00 WT5 O ATOM 52445 H1 TIP3 626 -3.814 3.639 -2.853 1.00 0.00 WT5 H ATOM 52446 H2 TIP3 626 -7.891 5.841 0.249 1.00 0.00 WT5 H ATOM 52447 OH2 TIP3 629 0.818 -2.836 3.844 1.00 0.00 WT5 O ATOM 52448 H1 TIP3 629 0.847 -11.391 3.989 1.00 0.00 WT5 H ATOM 52449 H2 TIP3 629 -19.379 -23.861 25.324 1.00 0.00 WT5 H ATOM 52450 OH2 TIP3 638 2.677 7.017 -7.788 1.00 0.00 WT5 O ATOM 52451 H1 TIP3 638 -0.926 8.990 -4.891 1.00 0.00 WT5 H ATOM 52452 H2 TIP3 638 7.638 0.243 -24.475 1.00 0.00 WT5 H ATOM 52453 OH2 TIP3 639 -2.279 7.417 -5.134 1.00 0.00 WT5 O ATOM 52454 H1 TIP3 639 -8.361 12.499 -1.254 1.00 0.00 WT5 H ATOM 52455 H2 TIP3 639 3.079 4.511 -5.908 1.00 0.00 WT5 H ATOM 52456 OH2 TIP3 642 8.270 -2.744 5.143 1.00 0.00 WT5 O ATOM 52457 H1 TIP3 642 12.394 2.120 -5.022 1.00 0.00 WT5 H ATOM 52458 H2 TIP3 642 -14.914 -24.749 9.478 1.00 0.00 WT5 H ATOM 52459 OH2 TIP3 649 6.727 -0.302 -1.213 1.00 0.00 WT5 O ATOM 52460 H1 TIP3 649 14.362 -8.757 11.508 1.00 0.00 WT5 H ATOM 52461 H2 TIP3 649 5.288 14.493 4.030 1.00 0.00 WT5 H ATOM 52462 OH2 TIP3 650 -6.513 0.251 -5.056 1.00 0.00 WT5 O ATOM 52463 H1 TIP3 650 -3.437 -2.848 -12.196 1.00 0.00 WT5 H ATOM 52464 H2 TIP3 650 -3.091 9.935 0.768 1.00 0.00 WT5 H ATOM 52465 OH2 TIP3 662 3.129 1.986 -0.292 1.00 0.00 WT5 O ATOM 52466 H1 TIP3 662 -13.961 -9.908 18.794 1.00 0.00 WT5 H ATOM 52467 H2 TIP3 662 -6.101 12.028 14.361 1.00 0.00 WT5 H ATOM 52468 OH2 TIP3 666 -4.707 5.379 0.101 1.00 0.00 WT5 O ATOM 52469 H1 TIP3 666 10.539 -10.043 8.033 1.00 0.00 WT5 H ATOM 52470 H2 TIP3 666 2.905 29.030 -0.476 1.00 0.00 WT5 H ATOM 52471 OH2 TIP3 668 -2.240 0.202 9.115 1.00 0.00 WT5 O ATOM 52472 H1 TIP3 668 8.655 3.677 2.529 1.00 0.00 WT5 H ATOM 52473 H2 TIP3 668 -2.084 -17.165 4.454 1.00 0.00 WT5 H ATOM 52474 OH2 TIP3 671 3.023 2.697 1.477 1.00 0.00 WT5 O ATOM 52475 H1 TIP3 671 -3.771 12.478 19.066 1.00 0.00 WT5 H ATOM 52476 H2 TIP3 671 10.011 -8.924 -26.133 1.00 0.00 WT5 H ATOM 52477 OH2 TIP3 673 3.865 -0.396 -7.429 1.00 0.00 WT5 O ATOM 52478 H1 TIP3 673 8.510 -9.148 -6.382 1.00 0.00 WT5 H ATOM 52479 H2 TIP3 673 1.390 -4.080 1.924 1.00 0.00 WT5 H ATOM 52480 OH2 TIP3 677 5.408 -1.704 1.860 1.00 0.00 WT5 O ATOM 52481 H1 TIP3 677 17.308 -17.865 -5.523 1.00 0.00 WT5 H ATOM 52482 H2 TIP3 677 5.575 -7.908 2.347 1.00 0.00 WT5 H ATOM 52483 OH2 TIP3 678 7.956 6.385 0.328 1.00 0.00 WT5 O ATOM 52484 H1 TIP3 678 9.490 7.207 1.681 1.00 0.00 WT5 H ATOM 52485 H2 TIP3 678 8.129 0.641 -6.005 1.00 0.00 WT5 H ATOM 52486 OH2 TIP3 684 -3.972 -1.247 7.589 1.00 0.00 WT5 O ATOM 52487 H1 TIP3 684 22.006 -19.279 0.444 1.00 0.00 WT5 H ATOM 52488 H2 TIP3 684 -3.494 -14.086 7.952 1.00 0.00 WT5 H ATOM 52489 OH2 TIP3 688 -2.663 -5.680 1.600 1.00 0.00 WT5 O ATOM 52490 H1 TIP3 688 -6.451 -0.935 -14.911 1.00 0.00 WT5 H ATOM 52491 H2 TIP3 688 -0.691 -8.717 11.695 1.00 0.00 WT5 H ATOM 52492 OH2 TIP3 691 -6.257 1.646 -0.314 1.00 0.00 WT5 O ATOM 52493 H1 TIP3 691 -9.742 17.532 -2.722 1.00 0.00 WT5 H ATOM 52494 H2 TIP3 691 -5.489 -24.760 -1.147 1.00 0.00 WT5 H ATOM 52495 OH2 TIP3 704 -1.540 -6.585 -5.410 1.00 0.00 WT5 O ATOM 52496 H1 TIP3 704 2.368 8.391 -16.301 1.00 0.00 WT5 H ATOM 52497 H2 TIP3 704 -0.494 8.853 -13.953 1.00 0.00 WT5 H ATOM 52498 OH2 TIP3 711 0.081 -4.015 1.004 1.00 0.00 WT5 O ATOM 52499 H1 TIP3 711 27.796 4.607 34.703 1.00 0.00 WT5 H ATOM 52500 H2 TIP3 711 47.901 -9.306 4.691 1.00 0.00 WT5 H ATOM 52501 OH2 TIP3 715 3.150 -5.044 -3.026 1.00 0.00 WT5 O ATOM 52502 H1 TIP3 715 1.993 2.445 -5.962 1.00 0.00 WT5 H ATOM 52503 H2 TIP3 715 -5.074 -3.335 -10.279 1.00 0.00 WT5 H ATOM 52504 OH2 TIP3 717 -0.435 -7.234 -0.442 1.00 0.00 WT5 O ATOM 52505 H1 TIP3 717 -5.946 -6.516 18.927 1.00 0.00 WT5 H ATOM 52506 H2 TIP3 717 -12.795 16.750 18.146 1.00 0.00 WT5 H ATOM 52507 OH2 TIP3 721 -9.482 0.982 -1.685 1.00 0.00 WT5 O ATOM 52508 H1 TIP3 721 -2.002 10.714 4.130 1.00 0.00 WT5 H ATOM 52509 H2 TIP3 721 0.199 -7.564 -8.558 1.00 0.00 WT5 H ATOM 52510 OH2 TIP3 722 -5.385 -2.196 -0.339 1.00 0.00 WT5 O ATOM 52511 H1 TIP3 722 -19.948 0.458 1.912 1.00 0.00 WT5 H ATOM 52512 H2 TIP3 722 -3.266 26.364 2.893 1.00 0.00 WT5 H ATOM 52513 OH2 TIP3 733 1.701 4.319 -2.917 1.00 0.00 WT5 O ATOM 52514 H1 TIP3 733 11.389 11.199 -3.158 1.00 0.00 WT5 H ATOM 52515 H2 TIP3 733 8.929 -0.423 -20.417 1.00 0.00 WT5 H ATOM 52516 OH2 TIP3 738 1.660 2.163 1.685 1.00 0.00 WT5 O ATOM 52517 H1 TIP3 738 -21.710 -7.062 16.667 1.00 0.00 WT5 H ATOM 52518 H2 TIP3 738 -3.488 -5.691 -5.163 1.00 0.00 WT5 H ATOM 52519 OH2 TIP3 746 -1.273 0.015 -1.945 1.00 0.00 WT5 O ATOM 52520 H1 TIP3 746 26.338 31.071 -20.151 1.00 0.00 WT5 H ATOM 52521 H2 TIP3 746 -12.086 -25.913 -0.118 1.00 0.00 WT5 H ATOM 52522 OH2 TIP3 753 -4.865 -6.017 4.449 1.00 0.00 WT5 O ATOM 52523 H1 TIP3 753 -30.470 -13.018 29.027 1.00 0.00 WT5 H ATOM 52524 H2 TIP3 753 -10.401 7.026 13.788 1.00 0.00 WT5 H ATOM 52525 OH2 TIP3 754 1.915 -2.174 6.824 1.00 0.00 WT5 O ATOM 52526 H1 TIP3 754 -16.185 11.379 -14.105 1.00 0.00 WT5 H ATOM 52527 H2 TIP3 754 16.994 6.520 -21.145 1.00 0.00 WT5 H ATOM 52528 OH2 TIP3 761 2.517 -4.083 3.416 1.00 0.00 WT5 O ATOM 52529 H1 TIP3 761 -7.237 -2.112 12.608 1.00 0.00 WT5 H ATOM 52530 H2 TIP3 761 3.843 -6.990 -0.574 1.00 0.00 WT5 H ATOM 52531 OH2 TIP3 766 4.071 2.018 -2.692 1.00 0.00 WT5 O ATOM 52532 H1 TIP3 766 8.000 -7.673 10.958 1.00 0.00 WT5 H ATOM 52533 H2 TIP3 766 1.550 -3.058 3.296 1.00 0.00 WT5 H ATOM 52534 OH2 TIP3 768 -2.316 -0.208 9.581 1.00 0.00 WT5 O ATOM 52535 H1 TIP3 768 12.501 4.114 -0.270 1.00 0.00 WT5 H ATOM 52536 H2 TIP3 768 10.701 3.837 1.249 1.00 0.00 WT5 H ATOM 52537 OH2 TIP3 771 6.042 7.120 -2.035 1.00 0.00 WT5 O ATOM 52538 H1 TIP3 771 -3.409 0.839 5.455 1.00 0.00 WT5 H ATOM 52539 H2 TIP3 771 27.644 31.444 -0.233 1.00 0.00 WT5 H ATOM 52540 OH2 TIP3 773 4.118 -7.155 -2.677 1.00 0.00 WT5 O ATOM 52541 H1 TIP3 773 3.831 13.393 6.946 1.00 0.00 WT5 H ATOM 52542 H2 TIP3 773 21.029 8.282 -5.880 1.00 0.00 WT5 H ATOM 52543 OH2 TIP3 778 -1.649 5.118 -1.544 1.00 0.00 WT5 O ATOM 52544 H1 TIP3 778 -2.826 -8.982 -5.848 1.00 0.00 WT5 H ATOM 52545 H2 TIP3 778 -1.252 -11.484 -17.515 1.00 0.00 WT5 H ATOM 52546 OH2 TIP3 779 -3.477 -5.177 3.668 1.00 0.00 WT5 O ATOM 52547 H1 TIP3 779 2.005 -7.646 14.025 1.00 0.00 WT5 H ATOM 52548 H2 TIP3 779 7.676 2.784 -3.635 1.00 0.00 WT5 H ATOM 52549 OH2 TIP3 792 -3.232 4.631 -3.520 1.00 0.00 WT5 O ATOM 52550 H1 TIP3 792 15.075 21.720 8.900 1.00 0.00 WT5 H ATOM 52551 H2 TIP3 792 -20.883 20.217 19.285 1.00 0.00 WT5 H ATOM 52552 OH2 TIP3 807 3.148 7.295 2.917 1.00 0.00 WT5 O ATOM 52553 H1 TIP3 807 -1.414 -4.018 21.593 1.00 0.00 WT5 H ATOM 52554 H2 TIP3 807 9.801 1.627 -10.003 1.00 0.00 WT5 H ATOM 52555 OH2 TIP3 808 1.973 -2.587 2.773 1.00 0.00 WT5 O ATOM 52556 H1 TIP3 808 16.084 -2.054 -7.034 1.00 0.00 WT5 H ATOM 52557 H2 TIP3 808 -16.520 -19.202 -1.495 1.00 0.00 WT5 H ATOM 52558 OH2 TIP3 812 -3.299 0.648 4.103 1.00 0.00 WT5 O ATOM 52559 H1 TIP3 812 -4.163 -9.461 -5.502 1.00 0.00 WT5 H ATOM 52560 H2 TIP3 812 -2.240 13.949 -3.372 1.00 0.00 WT5 H ATOM 52561 OH2 TIP3 814 -2.146 -6.233 0.338 1.00 0.00 WT5 O ATOM 52562 H1 TIP3 814 -3.761 -12.420 -10.047 1.00 0.00 WT5 H ATOM 52563 H2 TIP3 814 -9.938 1.223 -0.654 1.00 0.00 WT5 H ATOM 52564 OH2 TIP3 820 -5.554 6.016 4.700 1.00 0.00 WT5 O ATOM 52565 H1 TIP3 820 -2.180 1.667 26.826 1.00 0.00 WT5 H ATOM 52566 H2 TIP3 820 -9.005 15.046 37.186 1.00 0.00 WT5 H ATOM 52567 OH2 TIP3 822 4.669 8.651 3.084 1.00 0.00 WT5 O ATOM 52568 H1 TIP3 822 15.280 23.626 -9.558 1.00 0.00 WT5 H ATOM 52569 H2 TIP3 822 -7.584 1.612 -13.241 1.00 0.00 WT5 H ATOM 52570 OH2 TIP3 824 5.083 -8.970 0.116 1.00 0.00 WT5 O ATOM 52571 H1 TIP3 824 2.509 -36.249 -13.881 1.00 0.00 WT5 H ATOM 52572 H2 TIP3 824 19.590 -5.490 3.195 1.00 0.00 WT5 H ATOM 52573 OH2 TIP3 827 0.248 0.062 -4.068 1.00 0.00 WT5 O ATOM 52574 H1 TIP3 827 20.467 -20.417 -17.446 1.00 0.00 WT5 H ATOM 52575 H2 TIP3 827 2.832 7.169 -5.221 1.00 0.00 WT5 H ATOM 52576 OH2 TIP3 829 3.206 3.501 -2.384 1.00 0.00 WT5 O ATOM 52577 H1 TIP3 829 -0.872 -8.962 -20.624 1.00 0.00 WT5 H ATOM 52578 H2 TIP3 829 -3.429 -17.972 29.380 1.00 0.00 WT5 H ATOM 52579 OH2 TIP3 834 2.639 0.921 8.483 1.00 0.00 WT5 O ATOM 52580 H1 TIP3 834 4.631 10.116 3.962 1.00 0.00 WT5 H ATOM 52581 H2 TIP3 834 8.956 21.823 1.470 1.00 0.00 WT5 H ATOM 52582 OH2 TIP3 836 -1.121 1.584 -8.527 1.00 0.00 WT5 O ATOM 52583 H1 TIP3 836 10.999 -4.432 -7.327 1.00 0.00 WT5 H ATOM 52584 H2 TIP3 836 -0.246 -3.842 -0.834 1.00 0.00 WT5 H ATOM 52585 OH2 TIP3 843 -2.921 -5.756 -1.143 1.00 0.00 WT5 O ATOM 52586 H1 TIP3 843 -8.634 -4.516 4.345 1.00 0.00 WT5 H ATOM 52587 H2 TIP3 843 -9.561 -4.398 -6.280 1.00 0.00 WT5 H ATOM 52588 OH2 TIP3 846 0.957 -2.321 0.694 1.00 0.00 WT5 O ATOM 52589 H1 TIP3 846 12.875 17.583 -5.673 1.00 0.00 WT5 H ATOM 52590 H2 TIP3 846 0.304 -1.096 20.057 1.00 0.00 WT5 H ATOM 52591 OH2 TIP3 852 -0.564 6.577 -4.863 1.00 0.00 WT5 O ATOM 52592 H1 TIP3 852 4.625 13.300 9.739 1.00 0.00 WT5 H ATOM 52593 H2 TIP3 852 -19.827 -11.425 -1.175 1.00 0.00 WT5 H ATOM 52594 OH2 TIP3 854 1.572 -2.521 -2.966 1.00 0.00 WT5 O ATOM 52595 H1 TIP3 854 -2.692 -2.832 -4.798 1.00 0.00 WT5 H ATOM 52596 H2 TIP3 854 9.320 -17.805 12.515 1.00 0.00 WT5 H ATOM 52597 OH2 TIP3 860 -3.350 -3.300 -4.885 1.00 0.00 WT5 O ATOM 52598 H1 TIP3 860 -2.753 20.275 -11.856 1.00 0.00 WT5 H ATOM 52599 H2 TIP3 860 -3.795 0.815 -7.351 1.00 0.00 WT5 H ATOM 52600 OH2 TIP3 868 1.815 -2.757 -3.427 1.00 0.00 WT5 O ATOM 52601 H1 TIP3 868 2.048 6.522 -7.844 1.00 0.00 WT5 H ATOM 52602 H2 TIP3 868 -3.612 2.157 9.675 1.00 0.00 WT5 H ATOM 52603 OH2 TIP3 878 -1.050 5.692 -5.149 1.00 0.00 WT5 O ATOM 52604 H1 TIP3 878 -2.203 18.750 -10.462 1.00 0.00 WT5 H ATOM 52605 H2 TIP3 878 5.791 6.633 5.892 1.00 0.00 WT5 H ATOM 52606 OH2 TIP3 880 2.705 -2.034 0.494 1.00 0.00 WT5 O ATOM 52607 H1 TIP3 880 -14.791 -3.083 17.629 1.00 0.00 WT5 H ATOM 52608 H2 TIP3 880 0.280 25.818 -6.888 1.00 0.00 WT5 H ATOM 52609 OH2 TIP3 884 4.166 -4.278 1.711 1.00 0.00 WT5 O ATOM 52610 H1 TIP3 884 1.083 7.561 -18.691 1.00 0.00 WT5 H ATOM 52611 H2 TIP3 884 1.916 9.538 9.682 1.00 0.00 WT5 H ATOM 52612 OH2 TIP3 889 -4.762 -2.815 2.810 1.00 0.00 WT5 O ATOM 52613 H1 TIP3 889 6.827 2.264 -28.973 1.00 0.00 WT5 H ATOM 52614 H2 TIP3 889 -15.641 -5.805 24.663 1.00 0.00 WT5 H ATOM 52615 OH2 TIP3 892 -2.250 -1.829 2.094 1.00 0.00 WT5 O ATOM 52616 H1 TIP3 892 -2.756 -4.602 -19.332 1.00 0.00 WT5 H ATOM 52617 H2 TIP3 892 3.397 -14.361 0.365 1.00 0.00 WT5 H ATOM 52618 OH2 TIP3 895 5.294 2.672 -4.147 1.00 0.00 WT5 O ATOM 52619 H1 TIP3 895 5.175 1.527 -8.754 1.00 0.00 WT5 H ATOM 52620 H2 TIP3 895 5.835 1.090 -3.772 1.00 0.00 WT5 H ATOM 52621 OH2 TIP3 898 -2.243 1.277 3.837 1.00 0.00 WT5 O ATOM 52622 H1 TIP3 898 2.833 -25.203 7.486 1.00 0.00 WT5 H ATOM 52623 H2 TIP3 898 -6.838 8.497 -5.516 1.00 0.00 WT5 H ATOM 52624 OH2 TIP3 901 3.499 -1.816 1.657 1.00 0.00 WT5 O ATOM 52625 H1 TIP3 901 1.026 11.664 -12.196 1.00 0.00 WT5 H ATOM 52626 H2 TIP3 901 -9.389 4.438 -6.326 1.00 0.00 WT5 H ATOM 52627 OH2 TIP3 908 -2.506 -0.560 -0.946 1.00 0.00 WT5 O ATOM 52628 H1 TIP3 908 -0.948 -6.532 4.901 1.00 0.00 WT5 H ATOM 52629 H2 TIP3 908 -14.857 -0.457 5.390 1.00 0.00 WT5 H ATOM 52630 OH2 TIP3 919 -0.205 1.034 4.253 1.00 0.00 WT5 O ATOM 52631 H1 TIP3 919 4.365 4.319 11.419 1.00 0.00 WT5 H ATOM 52632 H2 TIP3 919 3.329 -33.907 11.085 1.00 0.00 WT5 H ATOM 52633 OH2 TIP3 928 -2.301 -6.138 2.220 1.00 0.00 WT5 O ATOM 52634 H1 TIP3 928 12.913 -5.124 9.106 1.00 0.00 WT5 H ATOM 52635 H2 TIP3 928 11.201 -2.655 25.633 1.00 0.00 WT5 H ATOM 52636 OH2 TIP3 930 -2.563 -3.695 -4.106 1.00 0.00 WT5 O ATOM 52637 H1 TIP3 930 0.367 -2.326 -18.731 1.00 0.00 WT5 H ATOM 52638 H2 TIP3 930 -11.493 -14.545 -3.034 1.00 0.00 WT5 H ATOM 52639 OH2 TIP3 933 0.251 -6.438 8.599 1.00 0.00 WT5 O ATOM 52640 H1 TIP3 933 -1.524 2.734 -6.415 1.00 0.00 WT5 H ATOM 52641 H2 TIP3 933 -17.496 -9.804 0.068 1.00 0.00 WT5 H ATOM 52642 OH2 TIP3 934 4.826 9.168 -9.315 1.00 0.00 WT5 O ATOM 52643 H1 TIP3 934 -14.215 2.639 -7.191 1.00 0.00 WT5 H ATOM 52644 H2 TIP3 934 5.309 9.048 -9.105 1.00 0.00 WT5 H ATOM 52645 OH2 TIP3 936 2.062 0.485 -1.113 1.00 0.00 WT5 O ATOM 52646 H1 TIP3 936 -3.482 18.742 2.750 1.00 0.00 WT5 H ATOM 52647 H2 TIP3 936 25.161 -36.237 -21.317 1.00 0.00 WT5 H ATOM 52648 OH2 TIP3 940 2.592 3.739 4.237 1.00 0.00 WT5 O ATOM 52649 H1 TIP3 940 -10.385 7.467 3.419 1.00 0.00 WT5 H ATOM 52650 H2 TIP3 940 -0.773 6.800 2.466 1.00 0.00 WT5 H ATOM 52651 OH2 TIP3 944 -1.148 0.099 -6.230 1.00 0.00 WT5 O ATOM 52652 H1 TIP3 944 -1.346 1.363 -6.219 1.00 0.00 WT5 H ATOM 52653 H2 TIP3 944 4.815 1.325 -12.284 1.00 0.00 WT5 H ATOM 52654 OH2 TIP3 954 -2.217 -1.560 -3.371 1.00 0.00 WT5 O ATOM 52655 H1 TIP3 954 4.824 -17.930 12.650 1.00 0.00 WT5 H ATOM 52656 H2 TIP3 954 -28.602 6.743 0.395 1.00 0.00 WT5 H ATOM 52657 OH2 TIP3 958 2.380 0.033 -1.105 1.00 0.00 WT5 O ATOM 52658 H1 TIP3 958 -27.241 -28.809 25.050 1.00 0.00 WT5 H ATOM 52659 H2 TIP3 958 10.313 -5.293 9.563 1.00 0.00 WT5 H ATOM 52660 OH2 TIP3 960 -3.095 -8.244 1.950 1.00 0.00 WT5 O ATOM 52661 H1 TIP3 960 -5.581 6.775 5.878 1.00 0.00 WT5 H ATOM 52662 H2 TIP3 960 2.777 -11.301 -7.136 1.00 0.00 WT5 H ATOM 52663 OH2 TIP3 969 -0.266 -3.204 0.197 1.00 0.00 WT5 O ATOM 52664 H1 TIP3 969 10.591 -25.114 7.154 1.00 0.00 WT5 H ATOM 52665 H2 TIP3 969 4.051 19.895 2.608 1.00 0.00 WT5 H ATOM 52666 OH2 TIP3 978 -1.152 2.519 6.352 1.00 0.00 WT5 O ATOM 52667 H1 TIP3 978 6.949 -1.063 6.077 1.00 0.00 WT5 H ATOM 52668 H2 TIP3 978 -6.091 6.572 2.897 1.00 0.00 WT5 H ATOM 52669 OH2 TIP3 981 -1.887 1.838 4.291 1.00 0.00 WT5 O ATOM 52670 H1 TIP3 981 2.429 1.813 1.073 1.00 0.00 WT5 H ATOM 52671 H2 TIP3 981 -8.193 -17.823 2.172 1.00 0.00 WT5 H ATOM 52672 OH2 TIP3 982 1.431 -3.501 1.285 1.00 0.00 WT5 O ATOM 52673 H1 TIP3 982 -1.214 -18.775 7.427 1.00 0.00 WT5 H ATOM 52674 H2 TIP3 982 6.516 2.653 -1.346 1.00 0.00 WT5 H ATOM 52675 OH2 TIP3 983 -0.257 -0.640 0.607 1.00 0.00 WT5 O ATOM 52676 H1 TIP3 983 -0.021 8.638 8.904 1.00 0.00 WT5 H ATOM 52677 H2 TIP3 983 0.797 -7.199 7.718 1.00 0.00 WT5 H ATOM 52678 OH2 TIP3 986 -3.043 5.929 -2.329 1.00 0.00 WT5 O ATOM 52679 H1 TIP3 986 -3.314 -5.585 9.101 1.00 0.00 WT5 H ATOM 52680 H2 TIP3 986 5.697 14.801 -13.038 1.00 0.00 WT5 H ATOM 52681 OH2 TIP3 999 0.750 -5.784 0.518 1.00 0.00 WT5 O ATOM 52682 H1 TIP3 999 4.028 -7.907 -5.200 1.00 0.00 WT5 H ATOM 52683 H2 TIP3 999 2.380 -0.372 -12.912 1.00 0.00 WT5 H ATOM 52684 OH2 TIP3 1013 1.960 3.719 -4.475 1.00 0.00 WT5 O ATOM 52685 H1 TIP3 1013 4.697 -7.766 -13.234 1.00 0.00 WT5 H ATOM 52686 H2 TIP3 1013 -3.690 4.693 8.963 1.00 0.00 WT5 H ATOM 52687 OH2 TIP3 1018 3.094 -2.484 2.000 1.00 0.00 WT5 O ATOM 52688 H1 TIP3 1018 1.149 0.048 1.847 1.00 0.00 WT5 H ATOM 52689 H2 TIP3 1018 7.552 -4.247 6.095 1.00 0.00 WT5 H ATOM 52690 OH2 TIP3 1019 -1.006 2.267 7.034 1.00 0.00 WT5 O ATOM 52691 H1 TIP3 1019 -5.022 12.991 12.157 1.00 0.00 WT5 H ATOM 52692 H2 TIP3 1019 -16.310 -4.527 -0.005 1.00 0.00 WT5 H ATOM 52693 OH2 TIP3 1024 -2.595 -6.424 -0.068 1.00 0.00 WT5 O ATOM 52694 H1 TIP3 1024 -1.858 -7.648 0.010 1.00 0.00 WT5 H ATOM 52695 H2 TIP3 1024 -5.611 4.880 -4.861 1.00 0.00 WT5 H ATOM 52696 OH2 TIP3 1025 0.844 2.279 1.201 1.00 0.00 WT5 O ATOM 52697 H1 TIP3 1025 -5.571 -10.178 0.192 1.00 0.00 WT5 H ATOM 52698 H2 TIP3 1025 3.091 8.110 -33.218 1.00 0.00 WT5 H ATOM 52699 OH2 TIP3 1043 2.480 -2.302 -3.401 1.00 0.00 WT5 O ATOM 52700 H1 TIP3 1043 2.923 -8.988 7.139 1.00 0.00 WT5 H ATOM 52701 H2 TIP3 1043 6.022 -2.921 6.056 1.00 0.00 WT5 H ATOM 52702 OH2 TIP3 1048 -3.526 4.335 3.880 1.00 0.00 WT5 O ATOM 52703 H1 TIP3 1048 -8.330 -7.151 -16.493 1.00 0.00 WT5 H ATOM 52704 H2 TIP3 1048 -0.966 -0.353 -6.032 1.00 0.00 WT5 H ATOM 52705 OH2 TIP3 1052 -4.000 -4.732 0.628 1.00 0.00 WT5 O ATOM 52706 H1 TIP3 1052 1.901 1.551 13.372 1.00 0.00 WT5 H ATOM 52707 H2 TIP3 1052 -7.465 -9.338 -5.457 1.00 0.00 WT5 H ATOM 52708 OH2 TIP3 1061 -0.696 1.260 -7.022 1.00 0.00 WT5 O ATOM 52709 H1 TIP3 1061 -16.336 -0.386 1.044 1.00 0.00 WT5 H ATOM 52710 H2 TIP3 1061 -21.766 -0.797 3.881 1.00 0.00 WT5 H ATOM 52711 OH2 TIP3 1066 0.023 -2.370 2.624 1.00 0.00 WT5 O ATOM 52712 H1 TIP3 1066 4.459 -16.644 -4.012 1.00 0.00 WT5 H ATOM 52713 H2 TIP3 1066 0.444 5.731 4.352 1.00 0.00 WT5 H ATOM 52714 OH2 TIP3 1071 2.208 -1.171 8.746 1.00 0.00 WT5 O ATOM 52715 H1 TIP3 1071 -17.285 -3.107 -37.416 1.00 0.00 WT5 H ATOM 52716 H2 TIP3 1071 4.598 6.198 -12.238 1.00 0.00 WT5 H ATOM 52717 OH2 TIP3 1076 -2.170 3.121 -2.791 1.00 0.00 WT5 O ATOM 52718 H1 TIP3 1076 -2.044 -13.199 1.539 1.00 0.00 WT5 H ATOM 52719 H2 TIP3 1076 -11.286 -16.761 8.459 1.00 0.00 WT5 H ATOM 52720 OH2 TIP3 1077 11.296 0.328 5.856 1.00 0.00 WT5 O ATOM 52721 H1 TIP3 1077 -7.268 -2.395 20.573 1.00 0.00 WT5 H ATOM 52722 H2 TIP3 1077 -0.373 -4.087 -24.324 1.00 0.00 WT5 H ATOM 52723 OH2 TIP3 1098 3.038 8.520 -1.332 1.00 0.00 WT5 O ATOM 52724 H1 TIP3 1098 23.636 2.052 -13.447 1.00 0.00 WT5 H ATOM 52725 H2 TIP3 1098 -3.521 -2.125 -2.507 1.00 0.00 WT5 H ATOM 52726 OH2 TIP3 1104 1.796 2.432 2.542 1.00 0.00 WT5 O ATOM 52727 H1 TIP3 1104 5.331 -17.327 -14.611 1.00 0.00 WT5 H ATOM 52728 H2 TIP3 1104 4.319 -0.930 -8.297 1.00 0.00 WT5 H ATOM 52729 OH2 TIP3 1122 -1.758 0.850 -6.396 1.00 0.00 WT5 O ATOM 52730 H1 TIP3 1122 -5.622 -1.770 -11.188 1.00 0.00 WT5 H ATOM 52731 H2 TIP3 1122 -4.114 -1.575 -13.507 1.00 0.00 WT5 H ATOM 52732 OH2 TIP3 1125 3.233 -1.031 -4.628 1.00 0.00 WT5 O ATOM 52733 H1 TIP3 1125 -0.256 -17.407 -17.575 1.00 0.00 WT5 H ATOM 52734 H2 TIP3 1125 12.177 -7.757 1.566 1.00 0.00 WT5 H ATOM 52735 OH2 TIP3 1138 2.197 0.109 -0.386 1.00 0.00 WT5 O ATOM 52736 H1 TIP3 1138 0.759 -7.300 -0.968 1.00 0.00 WT5 H ATOM 52737 H2 TIP3 1138 0.499 1.563 -4.810 1.00 0.00 WT5 H ATOM 52738 OH2 TIP3 1153 -5.365 5.560 0.481 1.00 0.00 WT5 O ATOM 52739 H1 TIP3 1153 -20.348 -7.390 -21.979 1.00 0.00 WT5 H ATOM 52740 H2 TIP3 1153 8.301 -8.013 13.533 1.00 0.00 WT5 H ATOM 52741 OH2 TIP3 1154 1.246 -4.252 0.477 1.00 0.00 WT5 O ATOM 52742 H1 TIP3 1154 -1.751 0.424 -5.025 1.00 0.00 WT5 H ATOM 52743 H2 TIP3 1154 1.477 -11.601 20.896 1.00 0.00 WT5 H ATOM 52744 OH2 TIP3 1163 1.802 -2.449 -3.026 1.00 0.00 WT5 O ATOM 52745 H1 TIP3 1163 1.532 -2.400 -2.874 1.00 0.00 WT5 H ATOM 52746 H2 TIP3 1163 -1.314 2.317 -1.282 1.00 0.00 WT5 H ATOM 52747 OH2 TIP3 1168 6.247 14.217 0.393 1.00 0.00 WT5 O ATOM 52748 H1 TIP3 1168 -7.034 -3.501 11.526 1.00 0.00 WT5 H ATOM 52749 H2 TIP3 1168 5.373 -11.024 14.814 1.00 0.00 WT5 H ATOM 52750 OH2 TIP3 1173 2.568 -3.453 5.959 1.00 0.00 WT5 O ATOM 52751 H1 TIP3 1173 -0.772 -7.825 20.036 1.00 0.00 WT5 H ATOM 52752 H2 TIP3 1173 1.533 -0.096 3.843 1.00 0.00 WT5 H ATOM 52753 OH2 TIP3 1182 3.917 -1.539 -0.504 1.00 0.00 WT5 O ATOM 52754 H1 TIP3 1182 10.621 -5.873 12.919 1.00 0.00 WT5 H ATOM 52755 H2 TIP3 1182 -10.500 7.006 4.862 1.00 0.00 WT5 H ATOM 52756 OH2 TIP3 1192 4.470 -3.809 -0.593 1.00 0.00 WT5 O ATOM 52757 H1 TIP3 1192 -10.537 8.062 18.478 1.00 0.00 WT5 H ATOM 52758 H2 TIP3 1192 13.954 -23.479 10.823 1.00 0.00 WT5 H ATOM 52759 OH2 TIP3 1194 -4.351 -5.045 -0.914 1.00 0.00 WT5 O ATOM 52760 H1 TIP3 1194 3.719 7.961 -0.484 1.00 0.00 WT5 H ATOM 52761 H2 TIP3 1194 9.115 -4.104 15.613 1.00 0.00 WT5 H ATOM 52762 OH2 TIP3 1195 4.407 -3.240 1.283 1.00 0.00 WT5 O ATOM 52763 H1 TIP3 1195 -2.724 -15.189 22.402 1.00 0.00 WT5 H ATOM 52764 H2 TIP3 1195 1.450 -6.641 2.751 1.00 0.00 WT5 H ATOM 52765 OH2 TIP3 1204 2.894 -0.263 0.802 1.00 0.00 WT5 O ATOM 52766 H1 TIP3 1204 16.682 3.089 13.291 1.00 0.00 WT5 H ATOM 52767 H2 TIP3 1204 12.767 -9.950 -0.321 1.00 0.00 WT5 H ATOM 52768 OH2 TIP3 1207 5.846 4.120 4.643 1.00 0.00 WT5 O ATOM 52769 H1 TIP3 1207 -7.681 7.428 16.724 1.00 0.00 WT5 H ATOM 52770 H2 TIP3 1207 16.469 4.233 -3.267 1.00 0.00 WT5 H ATOM 52771 OH2 TIP3 1209 -0.664 -1.611 -1.085 1.00 0.00 WT5 O ATOM 52772 H1 TIP3 1209 6.604 -5.709 8.270 1.00 0.00 WT5 H ATOM 52773 H2 TIP3 1209 -12.251 17.235 17.641 1.00 0.00 WT5 H ATOM 52774 OH2 TIP3 1213 -9.553 0.016 -2.918 1.00 0.00 WT5 O ATOM 52775 H1 TIP3 1213 -19.227 11.720 11.183 1.00 0.00 WT5 H ATOM 52776 H2 TIP3 1213 -19.362 -25.167 6.689 1.00 0.00 WT5 H ATOM 52777 OH2 TIP3 1216 -2.244 -0.080 3.940 1.00 0.00 WT5 O ATOM 52778 H1 TIP3 1216 20.500 -9.936 10.975 1.00 0.00 WT5 H ATOM 52779 H2 TIP3 1216 -13.756 13.448 -26.233 1.00 0.00 WT5 H ATOM 52780 OH2 TIP3 1217 5.116 -3.575 0.865 1.00 0.00 WT5 O ATOM 52781 H1 TIP3 1217 -6.588 -0.894 -9.990 1.00 0.00 WT5 H ATOM 52782 H2 TIP3 1217 11.780 -11.540 7.168 1.00 0.00 WT5 H ATOM 52783 OH2 TIP3 1235 -0.576 -2.216 6.732 1.00 0.00 WT5 O ATOM 52784 H1 TIP3 1235 -2.648 2.060 4.679 1.00 0.00 WT5 H ATOM 52785 H2 TIP3 1235 0.980 -4.343 17.723 1.00 0.00 WT5 H ATOM 52786 OH2 TIP3 1240 -1.307 -7.417 -2.518 1.00 0.00 WT5 O ATOM 52787 H1 TIP3 1240 -5.492 -1.797 14.263 1.00 0.00 WT5 H ATOM 52788 H2 TIP3 1240 -15.772 -5.693 -10.512 1.00 0.00 WT5 H ATOM 52789 OH2 TIP3 1252 1.301 4.142 -2.352 1.00 0.00 WT5 O ATOM 52790 H1 TIP3 1252 -1.122 4.016 0.182 1.00 0.00 WT5 H ATOM 52791 H2 TIP3 1252 3.503 -0.750 -1.762 1.00 0.00 WT5 H ATOM 52792 OH2 TIP3 1253 -2.372 2.032 -1.981 1.00 0.00 WT5 O ATOM 52793 H1 TIP3 1253 -12.388 5.508 -8.612 1.00 0.00 WT5 H ATOM 52794 H2 TIP3 1253 6.596 7.665 10.879 1.00 0.00 WT5 H ATOM 52795 OH2 TIP3 1258 -0.162 -1.921 2.435 1.00 0.00 WT5 O ATOM 52796 H1 TIP3 1258 1.654 3.722 -4.570 1.00 0.00 WT5 H ATOM 52797 H2 TIP3 1258 1.671 7.455 -8.942 1.00 0.00 WT5 H ATOM 52798 OH2 TIP3 1264 2.505 2.569 3.227 1.00 0.00 WT5 O ATOM 52799 H1 TIP3 1264 -6.479 8.342 19.370 1.00 0.00 WT5 H ATOM 52800 H2 TIP3 1264 4.884 1.656 -32.164 1.00 0.00 WT5 H ATOM 52801 OH2 TIP3 1269 -0.995 -5.660 5.019 1.00 0.00 WT5 O ATOM 52802 H1 TIP3 1269 2.466 -9.154 -4.150 1.00 0.00 WT5 H ATOM 52803 H2 TIP3 1269 -18.421 -8.513 -5.581 1.00 0.00 WT5 H ATOM 52804 OH2 TIP3 1277 0.851 -2.202 -0.312 1.00 0.00 WT5 O ATOM 52805 H1 TIP3 1277 1.632 -25.075 -14.562 1.00 0.00 WT5 H ATOM 52806 H2 TIP3 1277 -1.300 11.548 -8.740 1.00 0.00 WT5 H ATOM 52807 OH2 TIP3 1278 0.265 2.419 -2.678 1.00 0.00 WT5 O ATOM 52808 H1 TIP3 1278 7.024 4.920 -3.536 1.00 0.00 WT5 H ATOM 52809 H2 TIP3 1278 -20.548 13.448 2.036 1.00 0.00 WT5 H ATOM 52810 OH2 TIP3 1281 1.265 -2.186 -3.170 1.00 0.00 WT5 O ATOM 52811 H1 TIP3 1281 2.685 14.067 -4.770 1.00 0.00 WT5 H ATOM 52812 H2 TIP3 1281 4.259 0.826 12.254 1.00 0.00 WT5 H ATOM 52813 OH2 TIP3 1285 -3.965 1.962 -7.547 1.00 0.00 WT5 O ATOM 52814 H1 TIP3 1285 7.940 17.671 15.317 1.00 0.00 WT5 H ATOM 52815 H2 TIP3 1285 -0.956 8.441 -10.206 1.00 0.00 WT5 H ATOM 52816 OH2 TIP3 1287 3.831 -0.009 -0.217 1.00 0.00 WT5 O ATOM 52817 H1 TIP3 1287 -13.871 3.805 -5.206 1.00 0.00 WT5 H ATOM 52818 H2 TIP3 1287 -21.269 -24.844 4.058 1.00 0.00 WT5 H ATOM 52819 OH2 TIP3 1295 -2.500 1.291 -0.229 1.00 0.00 WT5 O ATOM 52820 H1 TIP3 1295 3.744 -1.623 2.823 1.00 0.00 WT5 H ATOM 52821 H2 TIP3 1295 23.966 -0.933 22.561 1.00 0.00 WT5 H ATOM 52822 OH2 TIP3 1298 2.784 -2.240 0.405 1.00 0.00 WT5 O ATOM 52823 H1 TIP3 1298 -2.654 1.193 -11.314 1.00 0.00 WT5 H ATOM 52824 H2 TIP3 1298 -0.726 -1.187 -5.917 1.00 0.00 WT5 H ATOM 52825 OH2 TIP3 1301 0.714 -3.366 -0.804 1.00 0.00 WT5 O ATOM 52826 H1 TIP3 1301 10.210 -3.317 -19.492 1.00 0.00 WT5 H ATOM 52827 H2 TIP3 1301 1.446 2.712 -11.794 1.00 0.00 WT5 H ATOM 52828 OH2 TIP3 1303 -10.692 0.132 -2.365 1.00 0.00 WT5 O ATOM 52829 H1 TIP3 1303 -9.730 -1.782 1.855 1.00 0.00 WT5 H ATOM 52830 H2 TIP3 1303 -12.281 -0.162 -0.585 1.00 0.00 WT5 H ATOM 52831 OH2 TIP3 1312 5.492 4.951 -3.857 1.00 0.00 WT5 O ATOM 52832 H1 TIP3 1312 -17.427 17.396 7.177 1.00 0.00 WT5 H ATOM 52833 H2 TIP3 1312 -10.638 13.697 5.103 1.00 0.00 WT5 H ATOM 52834 OH2 TIP3 1318 -0.165 -1.825 -3.343 1.00 0.00 WT5 O ATOM 52835 H1 TIP3 1318 3.955 13.265 -2.514 1.00 0.00 WT5 H ATOM 52836 H2 TIP3 1318 2.987 -12.327 1.673 1.00 0.00 WT5 H ATOM 52837 OH2 TIP3 1336 -1.142 -3.799 -1.959 1.00 0.00 WT5 O ATOM 52838 H1 TIP3 1336 10.495 4.061 -1.173 1.00 0.00 WT5 H ATOM 52839 H2 TIP3 1336 -11.630 -4.565 -20.263 1.00 0.00 WT5 H ATOM 52840 OH2 TIP3 1345 7.010 0.414 -2.681 1.00 0.00 WT5 O ATOM 52841 H1 TIP3 1345 -7.497 -0.888 2.664 1.00 0.00 WT5 H ATOM 52842 H2 TIP3 1345 12.136 -14.474 -3.455 1.00 0.00 WT5 H ATOM 52843 OH2 TIP3 1354 9.033 7.104 0.547 1.00 0.00 WT5 O ATOM 52844 H1 TIP3 1354 2.278 9.619 17.864 1.00 0.00 WT5 H ATOM 52845 H2 TIP3 1354 21.321 -9.392 8.868 1.00 0.00 WT5 H ATOM 52846 OH2 TIP3 1366 -0.712 3.566 8.592 1.00 0.00 WT5 O ATOM 52847 H1 TIP3 1366 13.633 -19.232 37.105 1.00 0.00 WT5 H ATOM 52848 H2 TIP3 1366 -13.470 21.363 6.427 1.00 0.00 WT5 H ATOM 52849 OH2 TIP3 1370 -4.204 -0.693 5.810 1.00 0.00 WT5 O ATOM 52850 H1 TIP3 1370 9.392 -13.543 11.190 1.00 0.00 WT5 H ATOM 52851 H2 TIP3 1370 6.083 12.513 4.452 1.00 0.00 WT5 H ATOM 52852 OH2 TIP3 1373 -3.816 5.463 3.597 1.00 0.00 WT5 O ATOM 52853 H1 TIP3 1373 -0.423 24.360 -14.587 1.00 0.00 WT5 H ATOM 52854 H2 TIP3 1373 -5.457 8.677 -0.336 1.00 0.00 WT5 H ATOM 52855 OH2 TIP3 1381 4.887 -8.532 -2.039 1.00 0.00 WT5 O ATOM 52856 H1 TIP3 1381 17.948 10.424 7.848 1.00 0.00 WT5 H ATOM 52857 H2 TIP3 1381 -17.327 2.822 -16.096 1.00 0.00 WT5 H ATOM 52858 OH2 TIP3 1382 -3.666 1.677 -4.930 1.00 0.00 WT5 O ATOM 52859 H1 TIP3 1382 -2.588 5.398 -2.450 1.00 0.00 WT5 H ATOM 52860 H2 TIP3 1382 -2.541 6.635 4.147 1.00 0.00 WT5 H ATOM 52861 OH2 TIP3 1383 0.629 7.548 4.535 1.00 0.00 WT5 O ATOM 52862 H1 TIP3 1383 -1.272 2.521 -2.341 1.00 0.00 WT5 H ATOM 52863 H2 TIP3 1383 -6.497 12.704 -7.126 1.00 0.00 WT5 H ATOM 52864 OH2 TIP3 1387 2.183 4.288 -2.959 1.00 0.00 WT5 O ATOM 52865 H1 TIP3 1387 -16.058 12.270 -17.229 1.00 0.00 WT5 H ATOM 52866 H2 TIP3 1387 -16.367 -21.318 4.835 1.00 0.00 WT5 H ATOM 52867 OH2 TIP3 1395 -4.847 -8.247 -5.132 1.00 0.00 WT5 O ATOM 52868 H1 TIP3 1395 27.594 -22.425 -0.844 1.00 0.00 WT5 H ATOM 52869 H2 TIP3 1395 -1.625 -8.446 13.626 1.00 0.00 WT5 H ATOM 52870 OH2 TIP3 1399 3.452 -1.387 6.581 1.00 0.00 WT5 O ATOM 52871 H1 TIP3 1399 6.004 -0.685 -1.869 1.00 0.00 WT5 H ATOM 52872 H2 TIP3 1399 -4.136 -0.366 5.691 1.00 0.00 WT5 H ATOM 52873 OH2 TIP3 1401 -0.456 -0.015 -5.542 1.00 0.00 WT5 O ATOM 52874 H1 TIP3 1401 -4.636 -6.808 16.086 1.00 0.00 WT5 H ATOM 52875 H2 TIP3 1401 -8.938 -5.817 -13.626 1.00 0.00 WT5 H ATOM 52876 OH2 TIP3 1408 6.596 3.681 -1.921 1.00 0.00 WT5 O ATOM 52877 H1 TIP3 1408 8.118 10.071 -6.257 1.00 0.00 WT5 H ATOM 52878 H2 TIP3 1408 11.542 7.222 7.182 1.00 0.00 WT5 H ATOM 52879 OH2 TIP3 1409 0.423 -0.048 4.990 1.00 0.00 WT5 O ATOM 52880 H1 TIP3 1409 -8.300 -5.794 13.285 1.00 0.00 WT5 H ATOM 52881 H2 TIP3 1409 -11.393 -8.830 -4.965 1.00 0.00 WT5 H ATOM 52882 OH2 TIP3 1414 -2.607 -1.861 2.488 1.00 0.00 WT5 O ATOM 52883 H1 TIP3 1414 6.509 -4.400 -9.290 1.00 0.00 WT5 H ATOM 52884 H2 TIP3 1414 -2.860 -1.342 26.787 1.00 0.00 WT5 H ATOM 52885 OH2 TIP3 1429 2.620 5.165 -0.621 1.00 0.00 WT5 O ATOM 52886 H1 TIP3 1429 6.209 1.154 1.749 1.00 0.00 WT5 H ATOM 52887 H2 TIP3 1429 -9.863 -3.186 28.842 1.00 0.00 WT5 H ATOM 52888 OH2 TIP3 1433 -3.821 4.923 -4.767 1.00 0.00 WT5 O ATOM 52889 H1 TIP3 1433 11.733 30.683 -6.544 1.00 0.00 WT5 H ATOM 52890 H2 TIP3 1433 -2.351 14.495 -6.594 1.00 0.00 WT5 H ATOM 52891 OH2 TIP3 1436 4.192 -3.407 2.462 1.00 0.00 WT5 O ATOM 52892 H1 TIP3 1436 -16.041 5.098 -7.005 1.00 0.00 WT5 H ATOM 52893 H2 TIP3 1436 2.768 -10.830 0.778 1.00 0.00 WT5 H ATOM 52894 OH2 TIP3 1440 -2.581 2.206 -1.464 1.00 0.00 WT5 O ATOM 52895 H1 TIP3 1440 -19.972 -6.198 -4.419 1.00 0.00 WT5 H ATOM 52896 H2 TIP3 1440 32.772 -3.234 -12.740 1.00 0.00 WT5 H ATOM 52897 OH2 TIP3 1445 0.928 0.244 -2.894 1.00 0.00 WT5 O ATOM 52898 H1 TIP3 1445 2.641 2.249 5.438 1.00 0.00 WT5 H ATOM 52899 H2 TIP3 1445 -8.826 0.100 -32.882 1.00 0.00 WT5 H ATOM 52900 OH2 TIP3 1447 -1.285 6.393 -1.923 1.00 0.00 WT5 O ATOM 52901 H1 TIP3 1447 0.762 -11.183 -20.509 1.00 0.00 WT5 H ATOM 52902 H2 TIP3 1447 -31.687 12.004 7.451 1.00 0.00 WT5 H ATOM 52903 OH2 TIP3 1451 1.025 5.392 -3.763 1.00 0.00 WT5 O ATOM 52904 H1 TIP3 1451 -6.438 -1.268 0.281 1.00 0.00 WT5 H ATOM 52905 H2 TIP3 1451 20.032 10.112 -11.002 1.00 0.00 WT5 H ATOM 52906 OH2 TIP3 1459 3.612 3.099 5.307 1.00 0.00 WT5 O ATOM 52907 H1 TIP3 1459 7.118 4.632 11.045 1.00 0.00 WT5 H ATOM 52908 H2 TIP3 1459 -6.880 0.314 -6.631 1.00 0.00 WT5 H ATOM 52909 OH2 TIP3 1466 3.885 -7.567 -0.757 1.00 0.00 WT5 O ATOM 52910 H1 TIP3 1466 -0.417 1.785 -9.748 1.00 0.00 WT5 H ATOM 52911 H2 TIP3 1466 -4.177 -17.594 0.434 1.00 0.00 WT5 H ATOM 52912 OH2 TIP3 1473 5.343 -9.604 -0.633 1.00 0.00 WT5 O ATOM 52913 H1 TIP3 1473 11.491 5.696 4.869 1.00 0.00 WT5 H ATOM 52914 H2 TIP3 1473 -13.911 18.214 -4.906 1.00 0.00 WT5 H ATOM 52915 OH2 TIP3 1476 3.638 -3.858 2.531 1.00 0.00 WT5 O ATOM 52916 H1 TIP3 1476 2.265 -0.590 -11.309 1.00 0.00 WT5 H ATOM 52917 H2 TIP3 1476 -6.020 -14.424 7.787 1.00 0.00 WT5 H ATOM 52918 OH2 TIP3 1477 3.661 0.292 -3.876 1.00 0.00 WT5 O ATOM 52919 H1 TIP3 1477 1.899 0.958 -4.007 1.00 0.00 WT5 H ATOM 52920 H2 TIP3 1477 29.391 -17.878 2.814 1.00 0.00 WT5 H ATOM 52921 OH2 TIP3 1480 4.577 1.225 4.808 1.00 0.00 WT5 O ATOM 52922 H1 TIP3 1480 18.175 2.099 3.688 1.00 0.00 WT5 H ATOM 52923 H2 TIP3 1480 -16.195 -17.930 -2.935 1.00 0.00 WT5 H ATOM 52924 OH2 TIP3 1483 1.550 -1.276 10.400 1.00 0.00 WT5 O ATOM 52925 H1 TIP3 1483 -1.699 -13.118 7.415 1.00 0.00 WT5 H ATOM 52926 H2 TIP3 1483 -3.424 -14.560 8.942 1.00 0.00 WT5 H ATOM 52927 OH2 TIP3 1486 -5.801 -3.900 -0.378 1.00 0.00 WT5 O ATOM 52928 H1 TIP3 1486 1.922 1.353 18.857 1.00 0.00 WT5 H ATOM 52929 H2 TIP3 1486 0.551 0.327 13.059 1.00 0.00 WT5 H ATOM 52930 OH2 TIP3 1492 4.828 -1.030 3.641 1.00 0.00 WT5 O ATOM 52931 H1 TIP3 1492 19.895 -11.787 -5.496 1.00 0.00 WT5 H ATOM 52932 H2 TIP3 1492 -9.863 18.108 14.794 1.00 0.00 WT5 H ATOM 52933 OH2 TIP3 1508 -1.355 -3.469 0.516 1.00 0.00 WT5 O ATOM 52934 H1 TIP3 1508 -2.633 11.284 -12.256 1.00 0.00 WT5 H ATOM 52935 H2 TIP3 1508 5.915 2.601 11.747 1.00 0.00 WT5 H ATOM 52936 OH2 TIP3 1509 4.869 0.660 -0.800 1.00 0.00 WT5 O ATOM 52937 H1 TIP3 1509 -12.155 -25.201 -13.063 1.00 0.00 WT5 H ATOM 52938 H2 TIP3 1509 6.929 -13.570 -11.869 1.00 0.00 WT5 H ATOM 52939 OH2 TIP3 1518 3.793 1.240 -4.694 1.00 0.00 WT5 O ATOM 52940 H1 TIP3 1518 6.320 -0.050 -1.949 1.00 0.00 WT5 H ATOM 52941 H2 TIP3 1518 -11.594 14.238 4.503 1.00 0.00 WT5 H ATOM 52942 OH2 TIP3 1524 -6.543 0.838 3.531 1.00 0.00 WT5 O ATOM 52943 H1 TIP3 1524 -7.848 -8.606 5.199 1.00 0.00 WT5 H ATOM 52944 H2 TIP3 1524 2.903 1.556 3.004 1.00 0.00 WT5 H ATOM 52945 OH2 TIP3 1527 2.440 -3.964 0.709 1.00 0.00 WT5 O ATOM 52946 H1 TIP3 1527 -11.197 -3.701 7.938 1.00 0.00 WT5 H ATOM 52947 H2 TIP3 1527 -21.606 -0.381 -7.625 1.00 0.00 WT5 H ATOM 52948 OH2 TIP3 1546 -2.628 2.236 1.318 1.00 0.00 WT5 O ATOM 52949 H1 TIP3 1546 7.304 -5.119 7.543 1.00 0.00 WT5 H ATOM 52950 H2 TIP3 1546 -10.351 37.210 -2.793 1.00 0.00 WT5 H ATOM 52951 OH2 TIP3 1557 4.575 1.464 -1.445 1.00 0.00 WT5 O ATOM 52952 H1 TIP3 1557 -6.873 14.023 -4.591 1.00 0.00 WT5 H ATOM 52953 H2 TIP3 1557 2.562 9.464 3.743 1.00 0.00 WT5 H ATOM 52954 OH2 TIP3 1573 3.949 2.218 -2.882 1.00 0.00 WT5 O ATOM 52955 H1 TIP3 1573 3.602 -11.787 -16.566 1.00 0.00 WT5 H ATOM 52956 H2 TIP3 1573 13.224 21.922 4.031 1.00 0.00 WT5 H ATOM 52957 OH2 TIP3 1574 2.277 -1.554 -3.015 1.00 0.00 WT5 O ATOM 52958 H1 TIP3 1574 23.871 -8.244 -9.943 1.00 0.00 WT5 H ATOM 52959 H2 TIP3 1574 7.595 -6.337 -3.950 1.00 0.00 WT5 H ATOM 52960 OH2 TIP3 1589 5.378 -2.986 5.727 1.00 0.00 WT5 O ATOM 52961 H1 TIP3 1589 -4.472 13.321 -8.133 1.00 0.00 WT5 H ATOM 52962 H2 TIP3 1589 -27.579 -25.948 15.866 1.00 0.00 WT5 H ATOM 52963 OH2 TIP3 1592 2.498 6.571 -5.409 1.00 0.00 WT5 O ATOM 52964 H1 TIP3 1592 -3.570 9.063 1.006 1.00 0.00 WT5 H ATOM 52965 H2 TIP3 1592 11.546 13.701 -2.321 1.00 0.00 WT5 H ATOM 52966 OH2 TIP3 1599 -4.499 1.351 1.530 1.00 0.00 WT5 O ATOM 52967 H1 TIP3 1599 3.231 -12.892 1.780 1.00 0.00 WT5 H ATOM 52968 H2 TIP3 1599 5.034 33.453 -15.401 1.00 0.00 WT5 H ATOM 52969 OH2 TIP3 1600 4.968 -2.274 -3.606 1.00 0.00 WT5 O ATOM 52970 H1 TIP3 1600 -15.244 2.054 -13.069 1.00 0.00 WT5 H ATOM 52971 H2 TIP3 1600 4.481 2.504 17.053 1.00 0.00 WT5 H ATOM 52972 OH2 TIP3 1612 2.698 1.332 7.299 1.00 0.00 WT5 O ATOM 52973 H1 TIP3 1612 -3.618 11.241 14.712 1.00 0.00 WT5 H ATOM 52974 H2 TIP3 1612 -3.050 7.215 -6.901 1.00 0.00 WT5 H ATOM 52975 OH2 TIP3 1613 0.897 -4.968 3.025 1.00 0.00 WT5 O ATOM 52976 H1 TIP3 1613 -15.879 -15.034 6.944 1.00 0.00 WT5 H ATOM 52977 H2 TIP3 1613 -8.894 -11.962 -24.282 1.00 0.00 WT5 H ATOM 52978 OH2 TIP3 1615 2.277 2.853 3.320 1.00 0.00 WT5 O ATOM 52979 H1 TIP3 1615 -9.446 2.127 -1.179 1.00 0.00 WT5 H ATOM 52980 H2 TIP3 1615 -1.568 3.487 14.103 1.00 0.00 WT5 H ATOM 52981 OH2 TIP3 1618 2.691 -4.076 -2.822 1.00 0.00 WT5 O ATOM 52982 H1 TIP3 1618 -13.008 5.773 -3.882 1.00 0.00 WT5 H ATOM 52983 H2 TIP3 1618 1.384 2.577 -0.005 1.00 0.00 WT5 H ATOM 52984 OH2 TIP3 1624 4.376 -1.751 -1.402 1.00 0.00 WT5 O ATOM 52985 H1 TIP3 1624 4.446 -22.137 1.626 1.00 0.00 WT5 H ATOM 52986 H2 TIP3 1624 -25.097 12.595 -1.277 1.00 0.00 WT5 H ATOM 52987 OH2 TIP3 1625 -3.801 0.212 -1.281 1.00 0.00 WT5 O ATOM 52988 H1 TIP3 1625 -2.148 -4.749 -0.285 1.00 0.00 WT5 H ATOM 52989 H2 TIP3 1625 2.550 -6.531 -1.829 1.00 0.00 WT5 H ATOM 52990 OH2 TIP3 1627 -0.724 1.837 -2.067 1.00 0.00 WT5 O ATOM 52991 H1 TIP3 1627 -4.026 13.118 -6.968 1.00 0.00 WT5 H ATOM 52992 H2 TIP3 1627 -0.338 -5.856 2.021 1.00 0.00 WT5 H ATOM 52993 OH2 TIP3 1629 -6.896 0.665 -1.292 1.00 0.00 WT5 O ATOM 52994 H1 TIP3 1629 0.029 1.060 -0.576 1.00 0.00 WT5 H ATOM 52995 H2 TIP3 1629 -16.925 -5.816 -8.034 1.00 0.00 WT5 H ATOM 52996 OH2 TIP3 1631 2.734 -1.401 -0.410 1.00 0.00 WT5 O ATOM 52997 H1 TIP3 1631 3.678 9.638 7.717 1.00 0.00 WT5 H ATOM 52998 H2 TIP3 1631 -3.407 -2.832 -8.288 1.00 0.00 WT5 H ATOM 52999 OH2 TIP3 1636 -4.543 -3.938 -0.293 1.00 0.00 WT5 O ATOM 53000 H1 TIP3 1636 0.675 -31.225 -2.731 1.00 0.00 WT5 H ATOM 53001 H2 TIP3 1636 11.956 -10.146 -18.305 1.00 0.00 WT5 H ATOM 53002 OH2 TIP3 1642 -4.167 3.538 -5.228 1.00 0.00 WT5 O ATOM 53003 H1 TIP3 1642 -1.404 -4.423 -17.380 1.00 0.00 WT5 H ATOM 53004 H2 TIP3 1642 3.978 23.659 12.924 1.00 0.00 WT5 H ATOM 53005 OH2 TIP3 1648 1.205 -7.004 -2.799 1.00 0.00 WT5 O ATOM 53006 H1 TIP3 1648 -3.966 -18.104 -10.564 1.00 0.00 WT5 H ATOM 53007 H2 TIP3 1648 -2.367 17.870 2.031 1.00 0.00 WT5 H ATOM 53008 OH2 TIP3 1651 -3.841 -1.229 6.166 1.00 0.00 WT5 O ATOM 53009 H1 TIP3 1651 -3.309 2.410 6.945 1.00 0.00 WT5 H ATOM 53010 H2 TIP3 1651 -7.368 -8.248 7.249 1.00 0.00 WT5 H ATOM 53011 OH2 TIP3 1656 6.559 -1.144 -1.703 1.00 0.00 WT5 O ATOM 53012 H1 TIP3 1656 2.653 5.487 2.457 1.00 0.00 WT5 H ATOM 53013 H2 TIP3 1656 5.396 1.718 1.641 1.00 0.00 WT5 H ATOM 53014 OH2 TIP3 1664 -8.867 -2.696 1.081 1.00 0.00 WT5 O ATOM 53015 H1 TIP3 1664 -12.915 -1.906 2.288 1.00 0.00 WT5 H ATOM 53016 H2 TIP3 1664 8.454 7.342 19.383 1.00 0.00 WT5 H ATOM 53017 OH2 TIP3 1678 -2.824 3.595 -2.936 1.00 0.00 WT5 O ATOM 53018 H1 TIP3 1678 -0.679 -7.218 2.958 1.00 0.00 WT5 H ATOM 53019 H2 TIP3 1678 -15.697 11.828 6.421 1.00 0.00 WT5 H ATOM 53020 OH2 TIP3 1691 6.166 -0.201 3.483 1.00 0.00 WT5 O ATOM 53021 H1 TIP3 1691 6.133 4.058 5.699 1.00 0.00 WT5 H ATOM 53022 H2 TIP3 1691 11.080 -5.841 5.374 1.00 0.00 WT5 H ATOM 53023 OH2 TIP3 1697 -1.500 -2.488 9.798 1.00 0.00 WT5 O ATOM 53024 H1 TIP3 1697 6.666 23.128 15.944 1.00 0.00 WT5 H ATOM 53025 H2 TIP3 1697 -16.149 -15.943 -4.147 1.00 0.00 WT5 H ATOM 53026 OH2 TIP3 1698 -9.473 2.507 -2.653 1.00 0.00 WT5 O ATOM 53027 H1 TIP3 1698 3.302 -3.512 0.213 1.00 0.00 WT5 H ATOM 53028 H2 TIP3 1698 -9.703 13.998 5.040 1.00 0.00 WT5 H ATOM 53029 OH2 TIP3 1706 -2.822 8.326 -4.427 1.00 0.00 WT5 O ATOM 53030 H1 TIP3 1706 -3.571 10.653 -1.811 1.00 0.00 WT5 H ATOM 53031 H2 TIP3 1706 -8.390 7.420 -6.956 1.00 0.00 WT5 H ATOM 53032 OH2 TIP3 1725 -3.915 -2.905 -9.243 1.00 0.00 WT5 O ATOM 53033 H1 TIP3 1725 14.754 -9.552 22.217 1.00 0.00 WT5 H ATOM 53034 H2 TIP3 1725 20.504 -4.953 -2.659 1.00 0.00 WT5 H ATOM 53035 OH2 TIP3 1737 2.399 -3.368 -3.077 1.00 0.00 WT5 O ATOM 53036 H1 TIP3 1737 -17.832 23.689 6.128 1.00 0.00 WT5 H ATOM 53037 H2 TIP3 1737 0.323 -13.756 6.487 1.00 0.00 WT5 H ATOM 53038 OH2 TIP3 1751 -2.693 7.658 0.337 1.00 0.00 WT5 O ATOM 53039 H1 TIP3 1751 -14.660 19.668 -7.202 1.00 0.00 WT5 H ATOM 53040 H2 TIP3 1751 -21.849 -6.381 5.586 1.00 0.00 WT5 H ATOM 53041 OH2 TIP3 1754 -6.838 4.661 5.285 1.00 0.00 WT5 O ATOM 53042 H1 TIP3 1754 -3.819 0.929 -3.444 1.00 0.00 WT5 H ATOM 53043 H2 TIP3 1754 -3.532 14.010 5.192 1.00 0.00 WT5 H ATOM 53044 OH2 TIP3 1758 1.191 4.649 4.792 1.00 0.00 WT5 O ATOM 53045 H1 TIP3 1758 8.267 -2.050 -2.706 1.00 0.00 WT5 H ATOM 53046 H2 TIP3 1758 -7.968 8.098 11.224 1.00 0.00 WT5 H ATOM 53047 OH2 TIP3 1763 -7.707 -0.451 -1.670 1.00 0.00 WT5 O ATOM 53048 H1 TIP3 1763 -5.344 -21.557 -3.494 1.00 0.00 WT5 H ATOM 53049 H2 TIP3 1763 -21.362 -3.028 -19.440 1.00 0.00 WT5 H ATOM 53050 OH2 TIP3 1769 -0.994 -5.294 -7.969 1.00 0.00 WT5 O ATOM 53051 H1 TIP3 1769 -17.486 10.790 13.126 1.00 0.00 WT5 H ATOM 53052 H2 TIP3 1769 18.565 -5.862 3.330 1.00 0.00 WT5 H ATOM 53053 OH2 TIP3 1771 -2.821 1.522 2.158 1.00 0.00 WT5 O ATOM 53054 H1 TIP3 1771 5.797 0.844 8.927 1.00 0.00 WT5 H ATOM 53055 H2 TIP3 1771 -3.540 10.735 0.443 1.00 0.00 WT5 H ATOM 53056 OH2 TIP3 1775 2.283 0.676 1.076 1.00 0.00 WT5 O ATOM 53057 H1 TIP3 1775 -7.445 2.213 10.499 1.00 0.00 WT5 H ATOM 53058 H2 TIP3 1775 22.507 10.237 -6.692 1.00 0.00 WT5 H ATOM 53059 OH2 TIP3 1777 -6.340 2.300 1.102 1.00 0.00 WT5 O ATOM 53060 H1 TIP3 1777 -8.124 6.934 -0.022 1.00 0.00 WT5 H ATOM 53061 H2 TIP3 1777 -31.089 -0.838 -17.135 1.00 0.00 WT5 H ATOM 53062 OH2 TIP3 1778 -2.418 -3.933 1.821 1.00 0.00 WT5 O ATOM 53063 H1 TIP3 1778 -5.747 -2.492 9.968 1.00 0.00 WT5 H ATOM 53064 H2 TIP3 1778 -2.937 -19.884 8.419 1.00 0.00 WT5 H ATOM 53065 OH2 TIP3 1779 3.723 5.945 0.801 1.00 0.00 WT5 O ATOM 53066 H1 TIP3 1779 -6.704 -7.336 7.232 1.00 0.00 WT5 H ATOM 53067 H2 TIP3 1779 4.895 24.574 -13.746 1.00 0.00 WT5 H ATOM 53068 OH2 TIP3 1783 2.473 0.427 2.739 1.00 0.00 WT5 O ATOM 53069 H1 TIP3 1783 0.996 4.633 -2.184 1.00 0.00 WT5 H ATOM 53070 H2 TIP3 1783 -1.514 0.720 -1.567 1.00 0.00 WT5 H ATOM 53071 OH2 TIP3 1803 -0.581 -1.493 1.723 1.00 0.00 WT5 O ATOM 53072 H1 TIP3 1803 5.440 0.355 -4.172 1.00 0.00 WT5 H ATOM 53073 H2 TIP3 1803 4.809 -3.725 8.451 1.00 0.00 WT5 H ATOM 53074 OH2 TIP3 1812 3.153 3.067 -0.334 1.00 0.00 WT5 O ATOM 53075 H1 TIP3 1812 21.751 -29.115 10.637 1.00 0.00 WT5 H ATOM 53076 H2 TIP3 1812 7.323 -6.070 2.345 1.00 0.00 WT5 H ATOM 53077 OH2 TIP3 1849 1.694 -3.399 0.061 1.00 0.00 WT5 O ATOM 53078 H1 TIP3 1849 -8.166 -7.059 5.496 1.00 0.00 WT5 H ATOM 53079 H2 TIP3 1849 -2.516 -5.332 3.936 1.00 0.00 WT5 H ATOM 53080 OH2 TIP3 1853 1.051 -2.352 2.729 1.00 0.00 WT5 O ATOM 53081 H1 TIP3 1853 15.373 -5.158 6.236 1.00 0.00 WT5 H ATOM 53082 H2 TIP3 1853 -8.129 -6.731 -0.156 1.00 0.00 WT5 H ATOM 53083 OH2 TIP3 1858 -0.821 -0.529 -1.131 1.00 0.00 WT5 O ATOM 53084 H1 TIP3 1858 12.158 11.566 -13.103 1.00 0.00 WT5 H ATOM 53085 H2 TIP3 1858 0.104 3.442 10.431 1.00 0.00 WT5 H ATOM 53086 OH2 TIP3 1859 -1.353 -3.912 0.177 1.00 0.00 WT5 O ATOM 53087 H1 TIP3 1859 5.319 14.937 20.736 1.00 0.00 WT5 H ATOM 53088 H2 TIP3 1859 -23.004 -4.479 0.360 1.00 0.00 WT5 H ATOM 53089 OH2 TIP3 1864 -0.372 2.990 2.241 1.00 0.00 WT5 O ATOM 53090 H1 TIP3 1864 -19.411 -7.610 2.862 1.00 0.00 WT5 H ATOM 53091 H2 TIP3 1864 8.667 3.253 -5.503 1.00 0.00 WT5 H ATOM 53092 OH2 TIP3 1879 1.943 1.408 -1.528 1.00 0.00 WT5 O ATOM 53093 H1 TIP3 1879 4.373 9.553 0.150 1.00 0.00 WT5 H ATOM 53094 H2 TIP3 1879 1.080 -5.395 -4.714 1.00 0.00 WT5 H ATOM 53095 OH2 TIP3 1880 -10.150 3.565 3.290 1.00 0.00 WT5 O ATOM 53096 H1 TIP3 1880 -6.126 24.977 20.852 1.00 0.00 WT5 H ATOM 53097 H2 TIP3 1880 -8.177 0.730 17.266 1.00 0.00 WT5 H ATOM 53098 OH2 TIP3 1882 -5.948 -1.852 -1.658 1.00 0.00 WT5 O ATOM 53099 H1 TIP3 1882 10.512 -11.084 -16.352 1.00 0.00 WT5 H ATOM 53100 H2 TIP3 1882 -10.171 -0.884 5.033 1.00 0.00 WT5 H ATOM 53101 OH2 TIP3 1892 1.071 -1.184 0.507 1.00 0.00 WT5 O ATOM 53102 H1 TIP3 1892 9.055 -4.791 14.633 1.00 0.00 WT5 H ATOM 53103 H2 TIP3 1892 -11.117 16.335 -27.171 1.00 0.00 WT5 H ATOM 53104 OH2 TIP3 1897 -2.347 2.009 4.826 1.00 0.00 WT5 O ATOM 53105 H1 TIP3 1897 14.472 9.780 -15.536 1.00 0.00 WT5 H ATOM 53106 H2 TIP3 1897 -5.229 -10.578 5.775 1.00 0.00 WT5 H ATOM 53107 OH2 TIP3 1898 -3.107 -0.574 -1.524 1.00 0.00 WT5 O ATOM 53108 H1 TIP3 1898 17.271 7.696 17.782 1.00 0.00 WT5 H ATOM 53109 H2 TIP3 1898 4.299 -24.630 -0.140 1.00 0.00 WT5 H ATOM 53110 OH2 TIP3 1925 -3.339 -1.269 -6.168 1.00 0.00 WT5 O ATOM 53111 H1 TIP3 1925 -2.469 -3.763 -1.605 1.00 0.00 WT5 H ATOM 53112 H2 TIP3 1925 17.342 -8.291 -18.231 1.00 0.00 WT5 H ATOM 53113 OH2 TIP3 1939 10.190 1.799 -1.503 1.00 0.00 WT5 O ATOM 53114 H1 TIP3 1939 8.534 17.921 1.597 1.00 0.00 WT5 H ATOM 53115 H2 TIP3 1939 8.995 -4.374 7.160 1.00 0.00 WT5 H ATOM 53116 OH2 TIP3 1949 -3.095 7.272 -0.382 1.00 0.00 WT5 O ATOM 53117 H1 TIP3 1949 2.114 -10.803 5.253 1.00 0.00 WT5 H ATOM 53118 H2 TIP3 1949 -4.579 4.194 -3.690 1.00 0.00 WT5 H ATOM 53119 OH2 TIP3 1960 -8.283 1.008 0.814 1.00 0.00 WT5 O ATOM 53120 H1 TIP3 1960 -11.128 -17.358 0.224 1.00 0.00 WT5 H ATOM 53121 H2 TIP3 1960 4.946 2.143 14.194 1.00 0.00 WT5 H ATOM 53122 OH2 TIP3 1965 5.310 3.577 0.616 1.00 0.00 WT5 O ATOM 53123 H1 TIP3 1965 0.002 10.938 -8.102 1.00 0.00 WT5 H ATOM 53124 H2 TIP3 1965 0.247 -3.898 -7.525 1.00 0.00 WT5 H ATOM 53125 OH2 TIP3 1978 -2.774 3.822 -0.717 1.00 0.00 WT5 O ATOM 53126 H1 TIP3 1978 22.172 23.795 1.172 1.00 0.00 WT5 H ATOM 53127 H2 TIP3 1978 -29.007 21.442 -8.638 1.00 0.00 WT5 H ATOM 53128 OH2 TIP3 1990 3.706 3.044 -4.154 1.00 0.00 WT5 O ATOM 53129 H1 TIP3 1990 -11.450 15.920 5.101 1.00 0.00 WT5 H ATOM 53130 H2 TIP3 1990 -7.485 -32.286 -0.227 1.00 0.00 WT5 H ATOM 53131 OH2 TIP3 1994 -2.083 8.143 -10.628 1.00 0.00 WT5 O ATOM 53132 H1 TIP3 1994 -0.009 17.789 -14.826 1.00 0.00 WT5 H ATOM 53133 H2 TIP3 1994 -16.485 19.373 -3.488 1.00 0.00 WT5 H ATOM 53134 OH2 TIP3 2000 -1.883 -0.812 -5.889 1.00 0.00 WT5 O ATOM 53135 H1 TIP3 2000 -11.322 5.917 17.349 1.00 0.00 WT5 H ATOM 53136 H2 TIP3 2000 -3.879 13.411 -31.811 1.00 0.00 WT5 H ATOM 53137 OH2 TIP3 2017 -2.050 -3.083 3.023 1.00 0.00 WT5 O ATOM 53138 H1 TIP3 2017 10.196 -14.424 -13.509 1.00 0.00 WT5 H ATOM 53139 H2 TIP3 2017 -7.795 20.614 12.319 1.00 0.00 WT5 H ATOM 53140 OH2 TIP3 2022 0.790 3.558 1.483 1.00 0.00 WT5 O ATOM 53141 H1 TIP3 2022 8.073 9.062 -2.400 1.00 0.00 WT5 H ATOM 53142 H2 TIP3 2022 -1.606 4.799 18.408 1.00 0.00 WT5 H ATOM 53143 OH2 TIP3 2025 -0.924 1.900 5.517 1.00 0.00 WT5 O ATOM 53144 H1 TIP3 2025 15.093 10.205 -29.198 1.00 0.00 WT5 H ATOM 53145 H2 TIP3 2025 6.848 6.654 -18.518 1.00 0.00 WT5 H ATOM 53146 OH2 TIP3 2053 0.088 -2.683 -3.537 1.00 0.00 WT5 O ATOM 53147 H1 TIP3 2053 0.204 -8.557 -4.444 1.00 0.00 WT5 H ATOM 53148 H2 TIP3 2053 -0.721 4.443 -2.079 1.00 0.00 WT5 H ATOM 53149 OH2 TIP3 2056 4.193 1.164 3.880 1.00 0.00 WT5 O ATOM 53150 H1 TIP3 2056 -0.486 -18.775 3.098 1.00 0.00 WT5 H ATOM 53151 H2 TIP3 2056 -7.761 8.286 17.582 1.00 0.00 WT5 H ATOM 53152 OH2 TIP3 2058 3.333 8.368 1.608 1.00 0.00 WT5 O ATOM 53153 H1 TIP3 2058 -2.644 -8.455 7.778 1.00 0.00 WT5 H ATOM 53154 H2 TIP3 2058 15.234 45.951 -1.880 1.00 0.00 WT5 H ATOM 53155 OH2 TIP3 2080 4.011 -3.595 1.972 1.00 0.00 WT5 O ATOM 53156 H1 TIP3 2080 0.322 10.047 9.137 1.00 0.00 WT5 H ATOM 53157 H2 TIP3 2080 1.976 -6.230 12.741 1.00 0.00 WT5 H ATOM 53158 OH2 TIP3 2083 2.038 -0.691 6.745 1.00 0.00 WT5 O ATOM 53159 H1 TIP3 2083 2.099 12.676 11.114 1.00 0.00 WT5 H ATOM 53160 H2 TIP3 2083 1.123 -4.166 4.937 1.00 0.00 WT5 H ATOM 53161 OH2 TIP3 2085 -2.417 -1.278 -1.576 1.00 0.00 WT5 O ATOM 53162 H1 TIP3 2085 13.751 4.438 7.010 1.00 0.00 WT5 H ATOM 53163 H2 TIP3 2085 14.903 -2.813 -8.781 1.00 0.00 WT5 H ATOM 53164 OH2 TIP3 2108 -6.518 -3.680 3.688 1.00 0.00 WT5 O ATOM 53165 H1 TIP3 2108 -20.508 18.509 13.456 1.00 0.00 WT5 H ATOM 53166 H2 TIP3 2108 -15.318 -6.316 -13.132 1.00 0.00 WT5 H ATOM 53167 OH2 TIP3 2127 0.918 -5.160 -4.857 1.00 0.00 WT5 O ATOM 53168 H1 TIP3 2127 2.793 -5.559 -3.741 1.00 0.00 WT5 H ATOM 53169 H2 TIP3 2127 -8.657 -2.176 -13.291 1.00 0.00 WT5 H ATOM 53170 OH2 TIP3 2132 -10.908 -1.305 4.378 1.00 0.00 WT5 O ATOM 53171 H1 TIP3 2132 -6.921 12.770 27.290 1.00 0.00 WT5 H ATOM 53172 H2 TIP3 2132 -13.147 21.279 8.169 1.00 0.00 WT5 H ATOM 53173 OH2 TIP3 2150 1.262 -2.917 -0.627 1.00 0.00 WT5 O ATOM 53174 H1 TIP3 2150 15.675 -14.575 -3.269 1.00 0.00 WT5 H ATOM 53175 H2 TIP3 2150 -13.578 -14.117 8.889 1.00 0.00 WT5 H ATOM 53176 OH2 TIP3 2156 -1.085 6.111 -1.749 1.00 0.00 WT5 O ATOM 53177 H1 TIP3 2156 16.785 -11.737 -4.404 1.00 0.00 WT5 H ATOM 53178 H2 TIP3 2156 8.232 -1.736 5.333 1.00 0.00 WT5 H ATOM 53179 OH2 TIP3 2160 -4.635 2.019 6.191 1.00 0.00 WT5 O ATOM 53180 H1 TIP3 2160 -8.443 -4.592 -9.242 1.00 0.00 WT5 H ATOM 53181 H2 TIP3 2160 -6.262 12.015 19.643 1.00 0.00 WT5 H ATOM 53182 OH2 TIP3 2171 -6.655 3.406 -2.993 1.00 0.00 WT5 O ATOM 53183 H1 TIP3 2171 20.554 -17.910 8.698 1.00 0.00 WT5 H ATOM 53184 H2 TIP3 2171 10.660 1.648 -15.283 1.00 0.00 WT5 H ATOM 53185 OH2 TIP3 2173 -0.344 1.753 -7.801 1.00 0.00 WT5 O ATOM 53186 H1 TIP3 2173 -11.249 -10.222 1.866 1.00 0.00 WT5 H ATOM 53187 H2 TIP3 2173 2.475 9.529 -13.537 1.00 0.00 WT5 H ATOM 53188 OH2 TIP3 2179 4.478 7.636 -4.901 1.00 0.00 WT5 O ATOM 53189 H1 TIP3 2179 13.782 -1.953 -6.605 1.00 0.00 WT5 H ATOM 53190 H2 TIP3 2179 -6.060 -0.765 -0.144 1.00 0.00 WT5 H ATOM 53191 OH2 TIP3 2183 -2.852 5.951 -0.760 1.00 0.00 WT5 O ATOM 53192 H1 TIP3 2183 -18.029 -6.854 -16.594 1.00 0.00 WT5 H ATOM 53193 H2 TIP3 2183 -13.425 13.871 -15.809 1.00 0.00 WT5 H ATOM 53194 OH2 TIP3 2190 4.217 1.988 5.957 1.00 0.00 WT5 O ATOM 53195 H1 TIP3 2190 -9.634 -17.056 18.814 1.00 0.00 WT5 H ATOM 53196 H2 TIP3 2190 -14.316 -23.777 22.950 1.00 0.00 WT5 H ATOM 53197 OH2 TIP3 2231 -3.420 -1.140 2.198 1.00 0.00 WT5 O ATOM 53198 H1 TIP3 2231 -12.899 1.629 16.080 1.00 0.00 WT5 H ATOM 53199 H2 TIP3 2231 -0.241 4.439 16.975 1.00 0.00 WT5 H ATOM 53200 OH2 TIP3 2236 4.060 2.352 -3.121 1.00 0.00 WT5 O ATOM 53201 H1 TIP3 2236 2.665 12.224 -4.197 1.00 0.00 WT5 H ATOM 53202 H2 TIP3 2236 7.008 -2.509 -14.757 1.00 0.00 WT5 H ATOM 53203 OH2 TIP3 2268 -0.274 -5.180 -1.594 1.00 0.00 WT5 O ATOM 53204 H1 TIP3 2268 -8.520 4.912 -1.860 1.00 0.00 WT5 H ATOM 53205 H2 TIP3 2268 3.426 -15.849 -2.843 1.00 0.00 WT5 H ATOM 53206 OH2 TIP3 2270 -6.388 -4.942 -0.609 1.00 0.00 WT5 O ATOM 53207 H1 TIP3 2270 3.483 -15.683 2.656 1.00 0.00 WT5 H ATOM 53208 H2 TIP3 2270 -9.655 -10.780 -8.544 1.00 0.00 WT5 H ATOM 53209 OH2 TIP3 2282 4.996 2.531 5.430 1.00 0.00 WT5 O ATOM 53210 H1 TIP3 2282 -10.231 -19.798 28.947 1.00 0.00 WT5 H ATOM 53211 H2 TIP3 2282 -13.949 27.371 5.708 1.00 0.00 WT5 H ATOM 53212 OH2 TIP3 2288 -1.161 3.535 2.045 1.00 0.00 WT5 O ATOM 53213 H1 TIP3 2288 -17.790 -19.235 5.142 1.00 0.00 WT5 H ATOM 53214 H2 TIP3 2288 -3.771 -0.570 2.540 1.00 0.00 WT5 H ATOM 53215 OH2 TIP3 2290 -2.435 2.641 -1.256 1.00 0.00 WT5 O ATOM 53216 H1 TIP3 2290 7.466 -7.532 -4.448 1.00 0.00 WT5 H ATOM 53217 H2 TIP3 2290 -9.273 12.959 2.868 1.00 0.00 WT5 H ATOM 53218 OH2 TIP3 2293 1.806 -3.266 -2.257 1.00 0.00 WT5 O ATOM 53219 H1 TIP3 2293 8.076 -2.256 11.251 1.00 0.00 WT5 H ATOM 53220 H2 TIP3 2293 -16.696 -3.828 -16.970 1.00 0.00 WT5 H ATOM 53221 OH2 TIP3 2317 -6.207 -4.339 0.212 1.00 0.00 WT5 O ATOM 53222 H1 TIP3 2317 -16.193 -11.501 -7.482 1.00 0.00 WT5 H ATOM 53223 H2 TIP3 2317 10.530 -7.197 2.646 1.00 0.00 WT5 H ATOM 53224 OH2 TIP3 2323 -3.660 -2.341 -6.515 1.00 0.00 WT5 O ATOM 53225 H1 TIP3 2323 -7.264 -21.984 -2.808 1.00 0.00 WT5 H ATOM 53226 H2 TIP3 2323 -5.068 -0.230 -1.261 1.00 0.00 WT5 H ATOM 53227 OH2 TIP3 2324 8.055 3.736 -0.192 1.00 0.00 WT5 O ATOM 53228 H1 TIP3 2324 -7.734 -3.958 -14.024 1.00 0.00 WT5 H ATOM 53229 H2 TIP3 2324 17.907 17.985 11.779 1.00 0.00 WT5 H ATOM 53230 OH2 TIP3 2327 -1.747 -2.769 -0.423 1.00 0.00 WT5 O ATOM 53231 H1 TIP3 2327 -32.680 24.317 -8.328 1.00 0.00 WT5 H ATOM 53232 H2 TIP3 2327 -11.442 -0.331 5.561 1.00 0.00 WT5 H ATOM 53233 OH2 TIP3 2357 3.957 1.215 -5.197 1.00 0.00 WT5 O ATOM 53234 H1 TIP3 2357 -2.955 -6.743 1.811 1.00 0.00 WT5 H ATOM 53235 H2 TIP3 2357 6.884 2.426 -1.117 1.00 0.00 WT5 H ATOM 53236 OH2 TIP3 2358 4.118 -4.950 -5.887 1.00 0.00 WT5 O ATOM 53237 H1 TIP3 2358 14.559 -3.822 26.739 1.00 0.00 WT5 H ATOM 53238 H2 TIP3 2358 -4.425 6.763 -24.208 1.00 0.00 WT5 H ATOM 53239 OH2 TIP3 2372 5.537 -9.716 -1.642 1.00 0.00 WT5 O ATOM 53240 H1 TIP3 2372 -7.901 12.480 -21.291 1.00 0.00 WT5 H ATOM 53241 H2 TIP3 2372 -7.060 2.874 8.818 1.00 0.00 WT5 H ATOM 53242 OH2 TIP3 2408 -2.065 0.696 0.186 1.00 0.00 WT5 O ATOM 53243 H1 TIP3 2408 4.962 -2.729 16.440 1.00 0.00 WT5 H ATOM 53244 H2 TIP3 2408 -3.363 -14.298 -9.344 1.00 0.00 WT5 H ATOM 53245 OH2 TIP3 2410 -1.668 2.283 1.659 1.00 0.00 WT5 O ATOM 53246 H1 TIP3 2410 22.725 -1.702 -10.150 1.00 0.00 WT5 H ATOM 53247 H2 TIP3 2410 9.615 0.969 -0.213 1.00 0.00 WT5 H ATOM 53248 OH2 TIP3 2411 -1.433 -0.163 2.741 1.00 0.00 WT5 O ATOM 53249 H1 TIP3 2411 -9.481 -10.849 3.769 1.00 0.00 WT5 H ATOM 53250 H2 TIP3 2411 21.379 -0.679 -24.224 1.00 0.00 WT5 H ATOM 53251 OH2 TIP3 2462 5.534 1.371 0.561 1.00 0.00 WT5 O ATOM 53252 H1 TIP3 2462 -3.724 9.471 -3.103 1.00 0.00 WT5 H ATOM 53253 H2 TIP3 2462 -11.756 13.649 -7.891 1.00 0.00 WT5 H ATOM 53254 OH2 TIP3 2468 5.641 1.722 -6.838 1.00 0.00 WT5 O ATOM 53255 H1 TIP3 2468 -6.784 -11.574 9.542 1.00 0.00 WT5 H ATOM 53256 H2 TIP3 2468 6.913 7.222 -10.919 1.00 0.00 WT5 H ATOM 53257 OH2 TIP3 2471 -2.325 -3.235 -0.269 1.00 0.00 WT5 O ATOM 53258 H1 TIP3 2471 -5.243 -13.297 -6.432 1.00 0.00 WT5 H ATOM 53259 H2 TIP3 2471 -0.416 -3.263 9.266 1.00 0.00 WT5 H ATOM 53260 OH2 TIP3 2474 5.677 0.849 2.447 1.00 0.00 WT5 O ATOM 53261 H1 TIP3 2474 -14.439 -11.135 -0.144 1.00 0.00 WT5 H ATOM 53262 H2 TIP3 2474 -3.722 -8.931 0.878 1.00 0.00 WT5 H ATOM 53263 OH2 TIP3 2500 1.340 4.647 -1.509 1.00 0.00 WT5 O ATOM 53264 H1 TIP3 2500 10.932 -24.176 -3.669 1.00 0.00 WT5 H ATOM 53265 H2 TIP3 2500 -9.671 -11.925 -27.916 1.00 0.00 WT5 H ATOM 53266 OH2 TIP3 2521 -4.278 -1.933 0.399 1.00 0.00 WT5 O ATOM 53267 H1 TIP3 2521 4.328 -6.187 4.878 1.00 0.00 WT5 H ATOM 53268 H2 TIP3 2521 2.757 3.952 -9.236 1.00 0.00 WT5 H ATOM 53269 OH2 TIP3 2524 6.018 2.891 -2.890 1.00 0.00 WT5 O ATOM 53270 H1 TIP3 2524 -1.312 -3.896 -10.075 1.00 0.00 WT5 H ATOM 53271 H2 TIP3 2524 13.562 12.718 4.807 1.00 0.00 WT5 H ATOM 53272 OH2 TIP3 2525 -1.463 1.365 8.003 1.00 0.00 WT5 O ATOM 53273 H1 TIP3 2525 5.374 13.199 -6.122 1.00 0.00 WT5 H ATOM 53274 H2 TIP3 2525 4.755 5.135 7.471 1.00 0.00 WT5 H ATOM 53275 OH2 TIP3 2542 -0.436 0.629 3.864 1.00 0.00 WT5 O ATOM 53276 H1 TIP3 2542 5.390 -2.300 12.823 1.00 0.00 WT5 H ATOM 53277 H2 TIP3 2542 7.757 4.342 -0.897 1.00 0.00 WT5 H ATOM 53278 OH2 TIP3 2559 2.829 -0.368 -0.890 1.00 0.00 WT5 O ATOM 53279 H1 TIP3 2559 20.105 -11.367 -28.640 1.00 0.00 WT5 H ATOM 53280 H2 TIP3 2559 -11.418 4.126 14.658 1.00 0.00 WT5 H ATOM 53281 OH2 TIP3 2560 4.590 2.552 -5.094 1.00 0.00 WT5 O ATOM 53282 H1 TIP3 2560 7.023 7.258 -0.060 1.00 0.00 WT5 H ATOM 53283 H2 TIP3 2560 2.985 2.597 -13.726 1.00 0.00 WT5 H ATOM 53284 OH2 TIP3 2568 1.617 7.503 -2.855 1.00 0.00 WT5 O ATOM 53285 H1 TIP3 2568 6.194 12.572 -18.080 1.00 0.00 WT5 H ATOM 53286 H2 TIP3 2568 13.322 -3.769 1.326 1.00 0.00 WT5 H ATOM 53287 OH2 TIP3 2570 0.114 6.263 5.888 1.00 0.00 WT5 O ATOM 53288 H1 TIP3 2570 -8.347 16.454 6.837 1.00 0.00 WT5 H ATOM 53289 H2 TIP3 2570 2.612 10.583 -13.575 1.00 0.00 WT5 H ATOM 53290 OH2 TIP3 2603 4.114 4.010 0.711 1.00 0.00 WT5 O ATOM 53291 H1 TIP3 2603 -14.258 -9.948 7.517 1.00 0.00 WT5 H ATOM 53292 H2 TIP3 2603 -8.465 -5.508 7.912 1.00 0.00 WT5 H ATOM 53293 OH2 TIP3 2629 -6.002 -3.963 -0.875 1.00 0.00 WT5 O ATOM 53294 H1 TIP3 2629 -6.842 -7.700 11.880 1.00 0.00 WT5 H ATOM 53295 H2 TIP3 2629 -7.845 -6.422 19.395 1.00 0.00 WT5 H ATOM 53296 OH2 TIP3 2644 -3.796 4.008 2.019 1.00 0.00 WT5 O ATOM 53297 H1 TIP3 2644 21.038 7.009 -8.271 1.00 0.00 WT5 H ATOM 53298 H2 TIP3 2644 -26.355 -27.337 -24.749 1.00 0.00 WT5 H ATOM 53299 OH2 TIP3 2705 -1.174 0.506 0.073 1.00 0.00 WT5 O ATOM 53300 H1 TIP3 2705 8.115 4.298 -0.859 1.00 0.00 WT5 H ATOM 53301 H2 TIP3 2705 -37.216 -5.721 4.317 1.00 0.00 WT5 H ATOM 53302 OH2 TIP3 2714 -5.554 5.354 -2.581 1.00 0.00 WT5 O ATOM 53303 H1 TIP3 2714 -12.144 -4.756 -3.606 1.00 0.00 WT5 H ATOM 53304 H2 TIP3 2714 7.665 19.439 6.385 1.00 0.00 WT5 H ATOM 53305 OH2 TIP3 2759 -2.602 -4.664 -8.589 1.00 0.00 WT5 O ATOM 53306 H1 TIP3 2759 4.030 -15.057 -20.635 1.00 0.00 WT5 H ATOM 53307 H2 TIP3 2759 7.518 3.385 -6.078 1.00 0.00 WT5 H ATOM 53308 OH2 TIP3 2780 0.609 6.339 0.680 1.00 0.00 WT5 O ATOM 53309 H1 TIP3 2780 11.450 0.166 -17.006 1.00 0.00 WT5 H ATOM 53310 H2 TIP3 2780 -13.030 20.185 -25.487 1.00 0.00 WT5 H ATOM 53311 OH2 TIP3 2781 10.868 2.593 2.945 1.00 0.00 WT5 O ATOM 53312 H1 TIP3 2781 0.115 -14.978 -0.314 1.00 0.00 WT5 H ATOM 53313 H2 TIP3 2781 18.369 1.477 5.357 1.00 0.00 WT5 H ATOM 53314 OH2 TIP3 2802 0.134 5.932 -2.329 1.00 0.00 WT5 O ATOM 53315 H1 TIP3 2802 16.659 -6.176 -13.063 1.00 0.00 WT5 H ATOM 53316 H2 TIP3 2802 -2.700 -3.830 -14.190 1.00 0.00 WT5 H ATOM 53317 OH2 TIP3 2855 0.236 -4.454 1.081 1.00 0.00 WT5 O ATOM 53318 H1 TIP3 2855 0.785 -23.804 -0.622 1.00 0.00 WT5 H ATOM 53319 H2 TIP3 2855 13.871 -8.645 12.884 1.00 0.00 WT5 H ATOM 53320 OH2 TIP3 2872 5.307 -5.285 3.924 1.00 0.00 WT5 O ATOM 53321 H1 TIP3 2872 3.505 -5.049 4.912 1.00 0.00 WT5 H ATOM 53322 H2 TIP3 2872 6.295 -3.267 3.765 1.00 0.00 WT5 H ATOM 53323 OH2 TIP3 2894 6.124 -2.685 5.894 1.00 0.00 WT5 O ATOM 53324 H1 TIP3 2894 -10.725 -18.054 16.011 1.00 0.00 WT5 H ATOM 53325 H2 TIP3 2894 3.255 -8.922 9.804 1.00 0.00 WT5 H ATOM 53326 OH2 TIP3 2895 2.321 -1.204 1.553 1.00 0.00 WT5 O ATOM 53327 H1 TIP3 2895 -8.180 4.169 -3.964 1.00 0.00 WT5 H ATOM 53328 H2 TIP3 2895 4.666 -7.182 9.265 1.00 0.00 WT5 H ATOM 53329 OH2 TIP3 2906 -7.841 6.726 1.787 1.00 0.00 WT5 O ATOM 53330 H1 TIP3 2906 -14.789 1.971 -14.413 1.00 0.00 WT5 H ATOM 53331 H2 TIP3 2906 -17.477 4.534 9.472 1.00 0.00 WT5 H ATOM 53332 OH2 TIP3 2980 1.399 3.327 -6.256 1.00 0.00 WT5 O ATOM 53333 H1 TIP3 2980 -8.876 9.041 -11.299 1.00 0.00 WT5 H ATOM 53334 H2 TIP3 2980 -10.041 1.583 -0.116 1.00 0.00 WT5 H ATOM 53335 OH2 TIP3 3029 -0.643 5.607 4.557 1.00 0.00 WT5 O ATOM 53336 H1 TIP3 3029 0.467 -5.615 13.440 1.00 0.00 WT5 H ATOM 53337 H2 TIP3 3029 -9.699 11.647 5.182 1.00 0.00 WT5 H ATOM 53338 OH2 TIP3 3063 -2.995 -2.443 0.288 1.00 0.00 WT5 O ATOM 53339 H1 TIP3 3063 -11.397 -6.297 -0.570 1.00 0.00 WT5 H ATOM 53340 H2 TIP3 3063 -25.310 -19.646 -0.432 1.00 0.00 WT5 H ATOM 53341 OH2 TIP3 3287 2.540 1.078 -0.800 1.00 0.00 WT5 O ATOM 53342 H1 TIP3 3287 15.753 10.207 15.150 1.00 0.00 WT5 H ATOM 53343 H2 TIP3 3287 -28.128 -5.445 -14.844 1.00 0.00 WT5 H ATOM 53344 OH2 TIP3 3294 2.725 -3.638 -0.010 1.00 0.00 WT5 O ATOM 53345 H1 TIP3 3294 -13.511 -4.845 5.526 1.00 0.00 WT5 H ATOM 53346 H2 TIP3 3294 1.835 -6.845 -11.845 1.00 0.00 WT5 H ATOM 53347 OH2 TIP3 3521 -1.953 -2.444 3.272 1.00 0.00 WT5 O ATOM 53348 H1 TIP3 3521 7.290 -10.862 -3.535 1.00 0.00 WT5 H ATOM 53349 H2 TIP3 3521 -28.562 13.569 4.977 1.00 0.00 WT5 H ATOM 53350 OH2 TIP3 3665 -0.355 1.301 -6.907 1.00 0.00 WT5 O ATOM 53351 H1 TIP3 3665 -3.195 -1.792 -15.361 1.00 0.00 WT5 H ATOM 53352 H2 TIP3 3665 -8.031 7.988 -20.368 1.00 0.00 WT5 H ATOM 53353 OH2 TIP3 3877 -1.455 -1.179 0.696 1.00 0.00 WT5 O ATOM 53354 H1 TIP3 3877 -0.103 -5.252 10.397 1.00 0.00 WT5 H ATOM 53355 H2 TIP3 3877 -7.942 1.203 24.436 1.00 0.00 WT5 H ATOM 53356 OH2 TIP3 5421 -1.564 -2.704 7.167 1.00 0.00 WT5 O ATOM 53357 H1 TIP3 5421 -10.852 -16.054 -0.509 1.00 0.00 WT5 H ATOM 53358 H2 TIP3 5421 11.059 6.327 -3.186 1.00 0.00 WT5 H ATOM 53359 OH2 TIP3 6240 3.077 6.956 6.669 1.00 0.00 WT5 O ATOM 53360 H1 TIP3 6240 10.349 -28.928 13.533 1.00 0.00 WT5 H ATOM 53361 H2 TIP3 6240 4.517 -2.898 3.145 1.00 0.00 WT5 H ATOM 53362 OH2 TIP3 6350 -0.856 2.318 1.083 1.00 0.00 WT5 O ATOM 53363 H1 TIP3 6350 9.355 4.787 18.111 1.00 0.00 WT5 H ATOM 53364 H2 TIP3 6350 -23.845 -7.288 -13.414 1.00 0.00 WT5 H ATOM 53365 OH2 TIP3 6479 0.531 -2.373 2.355 1.00 0.00 WT5 O ATOM 53366 H1 TIP3 6479 -8.974 -4.309 -23.251 1.00 0.00 WT5 H ATOM 53367 H2 TIP3 6479 -18.597 -14.134 17.289 1.00 0.00 WT5 H ATOM 53368 OH2 TIP3 6628 1.272 -0.235 -1.844 1.00 0.00 WT5 O ATOM 53369 H1 TIP3 6628 8.621 -2.237 13.066 1.00 0.00 WT5 H ATOM 53370 H2 TIP3 6628 -13.833 3.542 4.561 1.00 0.00 WT5 H ATOM 53371 OH2 TIP3 6650 0.103 4.390 4.485 1.00 0.00 WT5 O ATOM 53372 H1 TIP3 6650 -2.653 6.254 12.035 1.00 0.00 WT5 H ATOM 53373 H2 TIP3 6650 11.562 0.925 -9.700 1.00 0.00 WT5 H ATOM 53374 OH2 TIP3 6671 -3.652 12.527 0.015 1.00 0.00 WT5 O ATOM 53375 H1 TIP3 6671 4.589 11.711 6.496 1.00 0.00 WT5 H ATOM 53376 H2 TIP3 6671 -8.168 7.570 0.795 1.00 0.00 WT5 H ATOM 53377 OH2 TIP3 6751 -3.604 3.804 -1.781 1.00 0.00 WT5 O ATOM 53378 H1 TIP3 6751 3.916 -8.932 -11.280 1.00 0.00 WT5 H ATOM 53379 H2 TIP3 6751 -14.233 -12.710 1.682 1.00 0.00 WT5 H ATOM 53380 OH2 TIP3 6773 -2.490 -1.820 1.647 1.00 0.00 WT5 O ATOM 53381 H1 TIP3 6773 -0.431 9.584 -23.241 1.00 0.00 WT5 H ATOM 53382 H2 TIP3 6773 -5.224 1.224 4.545 1.00 0.00 WT5 H ATOM 53383 OH2 TIP3 6964 2.084 -4.444 -3.359 1.00 0.00 WT5 O ATOM 53384 H1 TIP3 6964 10.607 3.142 2.572 1.00 0.00 WT5 H ATOM 53385 H2 TIP3 6964 -3.052 1.390 -25.193 1.00 0.00 WT5 H ATOM 53386 OH2 TIP3 6980 1.871 -1.090 4.940 1.00 0.00 WT5 O ATOM 53387 H1 TIP3 6980 -19.110 -9.594 10.156 1.00 0.00 WT5 H ATOM 53388 H2 TIP3 6980 -4.040 16.234 18.771 1.00 0.00 WT5 H ATOM 53389 OH2 TIP3 7027 -5.790 -3.664 0.465 1.00 0.00 WT5 O ATOM 53390 H1 TIP3 7027 -12.055 1.013 16.880 1.00 0.00 WT5 H ATOM 53391 H2 TIP3 7027 5.001 -4.994 8.057 1.00 0.00 WT5 H ATOM 53392 OH2 TIP3 7133 3.289 -6.025 3.235 1.00 0.00 WT5 O ATOM 53393 H1 TIP3 7133 -10.968 -11.991 -14.434 1.00 0.00 WT5 H ATOM 53394 H2 TIP3 7133 21.912 -1.111 -4.061 1.00 0.00 WT5 H ATOM 53395 OH2 TIP3 7165 4.409 1.940 -4.836 1.00 0.00 WT5 O ATOM 53396 H1 TIP3 7165 -0.562 -6.380 10.660 1.00 0.00 WT5 H ATOM 53397 H2 TIP3 7165 10.569 4.143 7.047 1.00 0.00 WT5 H ATOM 53398 OH2 TIP3 7290 0.009 1.666 -1.680 1.00 0.00 WT5 O ATOM 53399 H1 TIP3 7290 -2.884 3.589 1.242 1.00 0.00 WT5 H ATOM 53400 H2 TIP3 7290 -3.854 0.876 -4.504 1.00 0.00 WT5 H ATOM 53401 OH2 TIP3 7295 -1.434 3.187 -1.573 1.00 0.00 WT5 O ATOM 53402 H1 TIP3 7295 -7.186 9.112 6.666 1.00 0.00 WT5 H ATOM 53403 H2 TIP3 7295 10.734 -4.828 6.280 1.00 0.00 WT5 H ATOM 53404 OH2 TIP3 7308 -1.593 -0.338 8.530 1.00 0.00 WT5 O ATOM 53405 H1 TIP3 7308 -21.493 -1.553 20.375 1.00 0.00 WT5 H ATOM 53406 H2 TIP3 7308 -13.869 14.030 -12.421 1.00 0.00 WT5 H ATOM 53407 OH2 TIP3 7427 6.815 4.896 -6.132 1.00 0.00 WT5 O ATOM 53408 H1 TIP3 7427 -2.128 -4.095 -0.607 1.00 0.00 WT5 H ATOM 53409 H2 TIP3 7427 2.784 2.591 -32.049 1.00 0.00 WT5 H ATOM 53410 OH2 TIP3 7532 -1.217 -0.598 4.550 1.00 0.00 WT5 O ATOM 53411 H1 TIP3 7532 0.091 -6.039 5.828 1.00 0.00 WT5 H ATOM 53412 H2 TIP3 7532 -0.385 1.321 22.619 1.00 0.00 WT5 H ATOM 53413 OH2 TIP3 7533 9.739 -1.538 4.088 1.00 0.00 WT5 O ATOM 53414 H1 TIP3 7533 31.248 7.953 24.848 1.00 0.00 WT5 H ATOM 53415 H2 TIP3 7533 -9.043 13.366 4.257 1.00 0.00 WT5 H ATOM 53416 OH2 TIP3 7537 -2.617 3.709 -0.568 1.00 0.00 WT5 O ATOM 53417 H1 TIP3 7537 -2.552 -7.225 -4.658 1.00 0.00 WT5 H ATOM 53418 H2 TIP3 7537 -5.484 -12.819 -7.487 1.00 0.00 WT5 H ATOM 53419 OH2 TIP3 7563 1.398 -1.875 -1.337 1.00 0.00 WT5 O ATOM 53420 H1 TIP3 7563 -15.142 -4.293 -20.388 1.00 0.00 WT5 H ATOM 53421 H2 TIP3 7563 10.579 -10.839 -17.644 1.00 0.00 WT5 H ATOM 53422 OH2 TIP3 7568 -0.676 -2.316 2.212 1.00 0.00 WT5 O ATOM 53423 H1 TIP3 7568 0.205 8.357 4.013 1.00 0.00 WT5 H ATOM 53424 H2 TIP3 7568 1.435 1.895 3.883 1.00 0.00 WT5 H ATOM 53425 OH2 TIP3 7576 -0.159 -2.158 2.394 1.00 0.00 WT5 O ATOM 53426 H1 TIP3 7576 -3.578 2.065 -4.507 1.00 0.00 WT5 H ATOM 53427 H2 TIP3 7576 3.197 -6.204 13.496 1.00 0.00 WT5 H ATOM 53428 OH2 TIP3 7583 0.968 8.847 5.760 1.00 0.00 WT5 O ATOM 53429 H1 TIP3 7583 -5.681 17.970 5.250 1.00 0.00 WT5 H ATOM 53430 H2 TIP3 7583 -17.415 30.289 4.137 1.00 0.00 WT5 H ATOM 53431 OH2 TIP3 7592 -5.996 1.026 3.691 1.00 0.00 WT5 O ATOM 53432 H1 TIP3 7592 -10.289 13.132 9.836 1.00 0.00 WT5 H ATOM 53433 H2 TIP3 7592 -0.803 6.822 -8.823 1.00 0.00 WT5 H ATOM 53434 OH2 TIP3 7603 2.546 0.319 -2.571 1.00 0.00 WT5 O ATOM 53435 H1 TIP3 7603 -1.504 10.262 4.099 1.00 0.00 WT5 H ATOM 53436 H2 TIP3 7603 6.707 -9.915 -2.643 1.00 0.00 WT5 H ATOM 53437 OH2 TIP3 7607 -3.907 1.120 -1.191 1.00 0.00 WT5 O ATOM 53438 H1 TIP3 7607 -17.531 5.018 -6.489 1.00 0.00 WT5 H ATOM 53439 H2 TIP3 7607 -8.635 4.677 -7.142 1.00 0.00 WT5 H ATOM 53440 OH2 TIP3 7630 -1.858 -5.609 -8.543 1.00 0.00 WT5 O ATOM 53441 H1 TIP3 7630 9.761 -27.304 -6.758 1.00 0.00 WT5 H ATOM 53442 H2 TIP3 7630 4.631 9.366 -23.815 1.00 0.00 WT5 H ATOM 53443 OH2 TIP3 7631 7.311 -2.569 0.423 1.00 0.00 WT5 O ATOM 53444 H1 TIP3 7631 4.559 -9.557 -7.054 1.00 0.00 WT5 H ATOM 53445 H2 TIP3 7631 3.544 -16.521 6.273 1.00 0.00 WT5 H ATOM 53446 OH2 TIP3 7634 -2.123 6.487 -6.708 1.00 0.00 WT5 O ATOM 53447 H1 TIP3 7634 -4.604 9.311 -10.652 1.00 0.00 WT5 H ATOM 53448 H2 TIP3 7634 -6.666 18.228 -0.439 1.00 0.00 WT5 H ATOM 53449 OH2 TIP3 7642 -0.912 -1.405 1.493 1.00 0.00 WT5 O ATOM 53450 H1 TIP3 7642 -14.566 17.770 0.331 1.00 0.00 WT5 H ATOM 53451 H2 TIP3 7642 -10.555 -16.335 18.212 1.00 0.00 WT5 H ATOM 53452 OH2 TIP3 7647 2.068 1.686 1.315 1.00 0.00 WT5 O ATOM 53453 H1 TIP3 7647 -4.055 5.023 -5.536 1.00 0.00 WT5 H ATOM 53454 H2 TIP3 7647 -7.063 -8.727 8.545 1.00 0.00 WT5 H ATOM 53455 OH2 TIP3 7650 -4.806 -8.583 5.903 1.00 0.00 WT5 O ATOM 53456 H1 TIP3 7650 15.576 26.817 -16.723 1.00 0.00 WT5 H ATOM 53457 H2 TIP3 7650 -11.359 -13.917 -0.162 1.00 0.00 WT5 H ATOM 53458 OH2 TIP3 7661 -5.694 0.216 5.989 1.00 0.00 WT5 O ATOM 53459 H1 TIP3 7661 22.959 -7.530 -2.605 1.00 0.00 WT5 H ATOM 53460 H2 TIP3 7661 -16.291 7.861 3.802 1.00 0.00 WT5 H ATOM 53461 OH2 TIP3 7707 2.662 1.257 0.166 1.00 0.00 WT5 O ATOM 53462 H1 TIP3 7707 -6.637 4.004 0.967 1.00 0.00 WT5 H ATOM 53463 H2 TIP3 7707 12.488 -6.006 -7.291 1.00 0.00 WT5 H ATOM 53464 OH2 TIP3 7715 -3.109 -1.249 9.597 1.00 0.00 WT5 O ATOM 53465 H1 TIP3 7715 -12.658 -22.204 13.729 1.00 0.00 WT5 H ATOM 53466 H2 TIP3 7715 29.152 7.498 19.416 1.00 0.00 WT5 H ATOM 53467 OH2 TIP3 7739 3.074 -0.019 4.025 1.00 0.00 WT5 O ATOM 53468 H1 TIP3 7739 5.696 -1.020 10.565 1.00 0.00 WT5 H ATOM 53469 H2 TIP3 7739 4.794 3.271 7.758 1.00 0.00 WT5 H ATOM 53470 OH2 TIP3 7748 -1.155 1.283 1.716 1.00 0.00 WT5 O ATOM 53471 H1 TIP3 7748 1.603 3.375 7.701 1.00 0.00 WT5 H ATOM 53472 H2 TIP3 7748 -12.275 -7.438 -4.555 1.00 0.00 WT5 H ATOM 53473 OH2 TIP3 7784 -0.125 2.305 0.351 1.00 0.00 WT5 O ATOM 53474 H1 TIP3 7784 22.656 11.248 5.730 1.00 0.00 WT5 H ATOM 53475 H2 TIP3 7784 3.003 1.498 9.877 1.00 0.00 WT5 H ATOM 53476 OH2 TIP3 7833 5.264 2.168 0.798 1.00 0.00 WT5 O ATOM 53477 H1 TIP3 7833 -15.546 11.164 -20.864 1.00 0.00 WT5 H ATOM 53478 H2 TIP3 7833 8.113 0.143 4.151 1.00 0.00 WT5 H ATOM 53479 OH2 TIP3 7846 -3.763 3.947 3.066 1.00 0.00 WT5 O ATOM 53480 H1 TIP3 7846 -6.495 3.919 3.609 1.00 0.00 WT5 H ATOM 53481 H2 TIP3 7846 -4.564 18.657 3.914 1.00 0.00 WT5 H ATOM 53482 OH2 TIP3 7925 -7.438 0.158 -1.609 1.00 0.00 WT5 O ATOM 53483 H1 TIP3 7925 -11.385 13.413 -3.642 1.00 0.00 WT5 H ATOM 53484 H2 TIP3 7925 -16.335 4.056 -0.461 1.00 0.00 WT5 H ATOM 53485 OH2 TIP3 7944 -2.158 -2.928 -0.162 1.00 0.00 WT5 O ATOM 53486 H1 TIP3 7944 5.405 7.428 13.350 1.00 0.00 WT5 H ATOM 53487 H2 TIP3 7944 -8.681 -3.280 -5.335 1.00 0.00 WT5 H ATOM 53488 OH2 TIP3 7951 0.236 -0.148 2.027 1.00 0.00 WT5 O ATOM 53489 H1 TIP3 7951 14.575 2.424 21.763 1.00 0.00 WT5 H ATOM 53490 H2 TIP3 7951 26.521 -17.675 2.107 1.00 0.00 WT5 H ATOM 53491 OH2 TIP3 7959 -1.527 -6.404 -1.879 1.00 0.00 WT5 O ATOM 53492 H1 TIP3 7959 2.928 4.106 9.711 1.00 0.00 WT5 H ATOM 53493 H2 TIP3 7959 0.501 5.182 -3.161 1.00 0.00 WT5 H ATOM 53494 OH2 TIP3 7978 -2.853 -2.614 -3.522 1.00 0.00 WT5 O ATOM 53495 H1 TIP3 7978 -11.257 -19.024 -19.194 1.00 0.00 WT5 H ATOM 53496 H2 TIP3 7978 -0.974 -16.449 -21.218 1.00 0.00 WT5 H ATOM 53497 OH2 TIP3 7979 -13.104 -1.970 2.225 1.00 0.00 WT5 O ATOM 53498 H1 TIP3 7979 -24.516 -13.347 -18.327 1.00 0.00 WT5 H ATOM 53499 H2 TIP3 7979 4.321 10.430 -8.516 1.00 0.00 WT5 H ATOM 53500 OH2 TIP3 7985 1.996 -1.193 7.958 1.00 0.00 WT5 O ATOM 53501 H1 TIP3 7985 -8.248 14.576 6.790 1.00 0.00 WT5 H ATOM 53502 H2 TIP3 7985 -1.197 -1.714 -14.388 1.00 0.00 WT5 H ATOM 53503 OH2 TIP3 7997 -0.261 -4.296 3.733 1.00 0.00 WT5 O ATOM 53504 H1 TIP3 7997 -3.345 9.564 0.837 1.00 0.00 WT5 H ATOM 53505 H2 TIP3 7997 -3.022 -16.816 5.186 1.00 0.00 WT5 H ATOM 53506 OH2 TIP3 7998 -3.489 -2.779 -1.408 1.00 0.00 WT5 O ATOM 53507 H1 TIP3 7998 -24.556 -0.925 -16.511 1.00 0.00 WT5 H ATOM 53508 H2 TIP3 7998 -13.724 -7.738 -10.018 1.00 0.00 WT5 H ATOM 53509 OH2 TIP3 8000 -0.685 -3.866 -0.756 1.00 0.00 WT5 O ATOM 53510 H1 TIP3 8000 3.600 5.993 0.690 1.00 0.00 WT5 H ATOM 53511 H2 TIP3 8000 0.312 9.824 0.367 1.00 0.00 WT5 H ATOM 53512 OH2 TIP3 8014 2.887 1.237 -3.242 1.00 0.00 WT5 O ATOM 53513 H1 TIP3 8014 36.348 22.738 6.316 1.00 0.00 WT5 H ATOM 53514 H2 TIP3 8014 11.087 -5.346 -1.713 1.00 0.00 WT5 H ATOM 53515 OH2 TIP3 8023 -3.612 2.660 1.233 1.00 0.00 WT5 O ATOM 53516 H1 TIP3 8023 -42.425 -6.895 -8.587 1.00 0.00 WT5 H ATOM 53517 H2 TIP3 8023 1.058 2.129 5.545 1.00 0.00 WT5 H ATOM 53518 OH2 TIP3 8024 -5.672 1.376 2.803 1.00 0.00 WT5 O ATOM 53519 H1 TIP3 8024 -4.254 12.920 -18.599 1.00 0.00 WT5 H ATOM 53520 H2 TIP3 8024 15.659 -4.798 2.020 1.00 0.00 WT5 H ATOM 53521 OH2 TIP3 8031 4.381 5.749 0.903 1.00 0.00 WT5 O ATOM 53522 H1 TIP3 8031 -10.213 8.380 -1.565 1.00 0.00 WT5 H ATOM 53523 H2 TIP3 8031 -0.781 2.416 3.661 1.00 0.00 WT5 H ATOM 53524 OH2 TIP3 8034 1.835 -1.010 -4.566 1.00 0.00 WT5 O ATOM 53525 H1 TIP3 8034 4.893 3.585 -1.278 1.00 0.00 WT5 H ATOM 53526 H2 TIP3 8034 -0.768 -8.202 -12.479 1.00 0.00 WT5 H ATOM 53527 OH2 TIP3 8046 5.113 0.565 -1.300 1.00 0.00 WT5 O ATOM 53528 H1 TIP3 8046 -5.045 10.281 10.243 1.00 0.00 WT5 H ATOM 53529 H2 TIP3 8046 12.975 -13.309 2.311 1.00 0.00 WT5 H ATOM 53530 OH2 TIP3 8064 -0.151 0.277 -4.437 1.00 0.00 WT5 O ATOM 53531 H1 TIP3 8064 9.665 -13.777 -14.501 1.00 0.00 WT5 H ATOM 53532 H2 TIP3 8064 15.143 2.486 3.428 1.00 0.00 WT5 H ATOM 53533 OH2 TIP3 8067 -0.960 -0.880 1.577 1.00 0.00 WT5 O ATOM 53534 H1 TIP3 8067 14.235 12.430 -4.521 1.00 0.00 WT5 H ATOM 53535 H2 TIP3 8067 -14.802 7.303 4.630 1.00 0.00 WT5 H ATOM 53536 OH2 TIP3 8068 -5.426 1.703 -5.639 1.00 0.00 WT5 O ATOM 53537 H1 TIP3 8068 -1.743 8.161 -6.536 1.00 0.00 WT5 H ATOM 53538 H2 TIP3 8068 -7.836 19.638 15.692 1.00 0.00 WT5 H ATOM 53539 OH2 TIP3 8079 -6.104 2.934 -0.107 1.00 0.00 WT5 O ATOM 53540 H1 TIP3 8079 -1.435 17.346 0.017 1.00 0.00 WT5 H ATOM 53541 H2 TIP3 8079 -3.523 -9.448 -6.582 1.00 0.00 WT5 H ATOM 53542 OH2 TIP3 8123 -3.823 -1.922 1.487 1.00 0.00 WT5 O ATOM 53543 H1 TIP3 8123 -18.873 17.171 16.224 1.00 0.00 WT5 H ATOM 53544 H2 TIP3 8123 9.023 -16.237 -6.906 1.00 0.00 WT5 H ATOM 53545 OH2 TIP3 8133 2.063 -5.666 -5.223 1.00 0.00 WT5 O ATOM 53546 H1 TIP3 8133 5.604 2.018 -1.984 1.00 0.00 WT5 H ATOM 53547 H2 TIP3 8133 17.471 -8.410 -13.889 1.00 0.00 WT5 H ATOM 53548 OH2 TIP3 8136 10.056 -5.319 -0.218 1.00 0.00 WT5 O ATOM 53549 H1 TIP3 8136 10.585 -10.012 -5.239 1.00 0.00 WT5 H ATOM 53550 H2 TIP3 8136 -11.709 0.362 0.569 1.00 0.00 WT5 H ATOM 53551 OH2 TIP3 8140 -0.867 1.549 -5.440 1.00 0.00 WT5 O ATOM 53552 H1 TIP3 8140 0.452 -5.011 5.166 1.00 0.00 WT5 H ATOM 53553 H2 TIP3 8140 11.613 5.145 -5.112 1.00 0.00 WT5 H ATOM 53554 OH2 TIP3 8141 -5.312 2.080 -3.939 1.00 0.00 WT5 O ATOM 53555 H1 TIP3 8141 -7.958 13.230 -10.446 1.00 0.00 WT5 H ATOM 53556 H2 TIP3 8141 -5.445 -29.211 3.489 1.00 0.00 WT5 H ATOM 53557 OH2 TIP3 8161 -2.445 -1.214 -0.369 1.00 0.00 WT5 O ATOM 53558 H1 TIP3 8161 -2.700 8.769 -12.860 1.00 0.00 WT5 H ATOM 53559 H2 TIP3 8161 11.271 -13.541 1.690 1.00 0.00 WT5 H ATOM 53560 OH2 TIP3 8173 4.047 -4.329 4.998 1.00 0.00 WT5 O ATOM 53561 H1 TIP3 8173 10.911 -13.042 2.224 1.00 0.00 WT5 H ATOM 53562 H2 TIP3 8173 -12.488 -8.626 0.950 1.00 0.00 WT5 H ATOM 53563 OH2 TIP3 8174 -2.170 0.600 -4.750 1.00 0.00 WT5 O ATOM 53564 H1 TIP3 8174 1.019 6.803 1.289 1.00 0.00 WT5 H ATOM 53565 H2 TIP3 8174 -9.131 0.655 -5.173 1.00 0.00 WT5 H ATOM 53566 OH2 TIP3 8176 1.659 -8.137 -3.858 1.00 0.00 WT5 O ATOM 53567 H1 TIP3 8176 8.369 -10.814 11.040 1.00 0.00 WT5 H ATOM 53568 H2 TIP3 8176 22.225 14.719 7.144 1.00 0.00 WT5 H ATOM 53569 OH2 TIP3 8183 -0.628 -0.434 0.167 1.00 0.00 WT5 O ATOM 53570 H1 TIP3 8183 5.996 -5.706 0.799 1.00 0.00 WT5 H ATOM 53571 H2 TIP3 8183 23.298 6.791 -10.228 1.00 0.00 WT5 H ATOM 53572 OH2 TIP3 8191 0.647 6.488 -3.473 1.00 0.00 WT5 O ATOM 53573 H1 TIP3 8191 -0.600 2.565 -19.493 1.00 0.00 WT5 H ATOM 53574 H2 TIP3 8191 8.334 -7.750 1.740 1.00 0.00 WT5 H ATOM 53575 OH2 TIP3 8193 -3.449 11.547 2.164 1.00 0.00 WT5 O ATOM 53576 H1 TIP3 8193 23.126 -4.724 -3.840 1.00 0.00 WT5 H ATOM 53577 H2 TIP3 8193 -10.254 -1.850 4.976 1.00 0.00 WT5 H ATOM 53578 OH2 TIP3 8218 -1.087 4.104 6.449 1.00 0.00 WT5 O ATOM 53579 H1 TIP3 8218 1.333 -4.332 -3.164 1.00 0.00 WT5 H ATOM 53580 H2 TIP3 8218 7.752 4.127 5.599 1.00 0.00 WT5 H ATOM 53581 OH2 TIP3 8222 4.038 -2.073 -3.736 1.00 0.00 WT5 O ATOM 53582 H1 TIP3 8222 11.491 -8.591 -3.525 1.00 0.00 WT5 H ATOM 53583 H2 TIP3 8222 4.230 -7.507 2.814 1.00 0.00 WT5 H ATOM 53584 OH2 TIP3 8229 2.810 1.934 3.969 1.00 0.00 WT5 O ATOM 53585 H1 TIP3 8229 12.313 -0.198 3.744 1.00 0.00 WT5 H ATOM 53586 H2 TIP3 8229 2.157 9.029 -3.292 1.00 0.00 WT5 H ATOM 53587 OH2 TIP3 8230 0.195 -5.035 -2.236 1.00 0.00 WT5 O ATOM 53588 H1 TIP3 8230 -10.320 -20.819 -14.197 1.00 0.00 WT5 H ATOM 53589 H2 TIP3 8230 4.080 10.568 1.739 1.00 0.00 WT5 H ATOM 53590 OH2 TIP3 8260 -0.433 1.864 -5.744 1.00 0.00 WT5 O ATOM 53591 H1 TIP3 8260 -20.791 1.676 -18.348 1.00 0.00 WT5 H ATOM 53592 H2 TIP3 8260 -14.200 2.251 10.758 1.00 0.00 WT5 H ATOM 53593 OH2 TIP3 8263 -3.883 1.546 2.718 1.00 0.00 WT5 O ATOM 53594 H1 TIP3 8263 -11.523 13.771 -4.340 1.00 0.00 WT5 H ATOM 53595 H2 TIP3 8263 -7.473 -6.438 6.340 1.00 0.00 WT5 H ATOM 53596 OH2 TIP3 8264 1.149 -7.459 5.485 1.00 0.00 WT5 O ATOM 53597 H1 TIP3 8264 -1.863 -18.133 20.677 1.00 0.00 WT5 H ATOM 53598 H2 TIP3 8264 -17.055 -2.078 0.445 1.00 0.00 WT5 H ATOM 53599 OH2 TIP3 8265 -2.576 -3.300 -0.752 1.00 0.00 WT5 O ATOM 53600 H1 TIP3 8265 4.872 -6.028 0.059 1.00 0.00 WT5 H ATOM 53601 H2 TIP3 8265 -11.710 -17.327 -0.662 1.00 0.00 WT5 H ATOM 53602 OH2 TIP3 8266 -3.985 -6.188 6.255 1.00 0.00 WT5 O ATOM 53603 H1 TIP3 8266 -21.571 -12.791 6.099 1.00 0.00 WT5 H ATOM 53604 H2 TIP3 8266 1.459 3.984 -15.205 1.00 0.00 WT5 H ATOM 53605 OH2 TIP3 8278 -1.160 -5.388 3.628 1.00 0.00 WT5 O ATOM 53606 H1 TIP3 8278 -2.934 -0.040 4.878 1.00 0.00 WT5 H ATOM 53607 H2 TIP3 8278 -5.434 -20.787 -2.854 1.00 0.00 WT5 H ATOM 53608 OH2 TIP3 8290 -1.218 0.783 -4.037 1.00 0.00 WT5 O ATOM 53609 H1 TIP3 8290 -7.506 -10.899 5.222 1.00 0.00 WT5 H ATOM 53610 H2 TIP3 8290 6.360 23.972 -7.733 1.00 0.00 WT5 H ATOM 53611 OH2 TIP3 8308 2.083 2.637 -2.173 1.00 0.00 WT5 O ATOM 53612 H1 TIP3 8308 41.021 33.063 -21.484 1.00 0.00 WT5 H ATOM 53613 H2 TIP3 8308 -8.081 -5.138 2.610 1.00 0.00 WT5 H ATOM 53614 OH2 TIP3 8309 -1.188 6.177 9.730 1.00 0.00 WT5 O ATOM 53615 H1 TIP3 8309 -11.153 18.861 21.011 1.00 0.00 WT5 H ATOM 53616 H2 TIP3 8309 12.316 28.435 -6.484 1.00 0.00 WT5 H ATOM 53617 OH2 TIP3 8328 -1.224 0.118 -0.944 1.00 0.00 WT5 O ATOM 53618 H1 TIP3 8328 -19.236 2.161 6.028 1.00 0.00 WT5 H ATOM 53619 H2 TIP3 8328 -8.650 1.347 6.096 1.00 0.00 WT5 H ATOM 53620 OH2 TIP3 8330 0.337 4.531 8.583 1.00 0.00 WT5 O ATOM 53621 H1 TIP3 8330 2.644 16.736 8.742 1.00 0.00 WT5 H ATOM 53622 H2 TIP3 8330 -2.494 -17.208 6.712 1.00 0.00 WT5 H ATOM 53623 OH2 TIP3 8351 -1.989 -4.432 0.812 1.00 0.00 WT5 O ATOM 53624 H1 TIP3 8351 -31.529 -8.909 3.646 1.00 0.00 WT5 H ATOM 53625 H2 TIP3 8351 -1.829 -5.361 -4.744 1.00 0.00 WT5 H ATOM 53626 OH2 TIP3 8352 -3.656 4.333 3.343 1.00 0.00 WT5 O ATOM 53627 H1 TIP3 8352 -4.442 8.108 8.933 1.00 0.00 WT5 H ATOM 53628 H2 TIP3 8352 -0.147 0.981 6.564 1.00 0.00 WT5 H ATOM 53629 OH2 TIP3 8357 3.522 5.677 -4.907 1.00 0.00 WT5 O ATOM 53630 H1 TIP3 8357 -16.211 11.133 -1.246 1.00 0.00 WT5 H ATOM 53631 H2 TIP3 8357 -0.832 5.268 -3.266 1.00 0.00 WT5 H ATOM 53632 OH2 TIP3 8361 2.105 -4.627 3.437 1.00 0.00 WT5 O ATOM 53633 H1 TIP3 8361 -25.595 -16.409 5.839 1.00 0.00 WT5 H ATOM 53634 H2 TIP3 8361 -2.158 5.354 4.065 1.00 0.00 WT5 H ATOM 53635 OH2 TIP3 8368 -5.772 2.935 7.543 1.00 0.00 WT5 O ATOM 53636 H1 TIP3 8368 -12.286 9.011 15.541 1.00 0.00 WT5 H ATOM 53637 H2 TIP3 8368 15.085 24.159 -8.252 1.00 0.00 WT5 H ATOM 53638 OH2 TIP3 8375 -1.139 -9.038 -8.180 1.00 0.00 WT5 O ATOM 53639 H1 TIP3 8375 -11.044 -35.301 20.227 1.00 0.00 WT5 H ATOM 53640 H2 TIP3 8375 -0.710 34.444 -2.132 1.00 0.00 WT5 H ATOM 53641 OH2 TIP3 8376 3.437 0.663 2.062 1.00 0.00 WT5 O ATOM 53642 H1 TIP3 8376 7.614 -3.315 -0.688 1.00 0.00 WT5 H ATOM 53643 H2 TIP3 8376 2.545 10.835 -13.675 1.00 0.00 WT5 H ATOM 53644 OH2 TIP3 8383 4.953 1.832 0.915 1.00 0.00 WT5 O ATOM 53645 H1 TIP3 8383 3.914 -7.866 14.196 1.00 0.00 WT5 H ATOM 53646 H2 TIP3 8383 7.122 -9.542 -3.243 1.00 0.00 WT5 H ATOM 53647 OH2 TIP3 8393 -0.073 3.669 -3.143 1.00 0.00 WT5 O ATOM 53648 H1 TIP3 8393 -2.398 5.215 -4.419 1.00 0.00 WT5 H ATOM 53649 H2 TIP3 8393 15.572 8.712 -10.124 1.00 0.00 WT5 H ATOM 53650 OH2 TIP3 8395 1.247 5.705 -3.497 1.00 0.00 WT5 O ATOM 53651 H1 TIP3 8395 -20.385 0.481 -17.978 1.00 0.00 WT5 H ATOM 53652 H2 TIP3 8395 24.049 6.319 -25.557 1.00 0.00 WT5 H ATOM 53653 OH2 TIP3 8403 4.096 -8.473 -1.995 1.00 0.00 WT5 O ATOM 53654 H1 TIP3 8403 -17.996 8.296 49.019 1.00 0.00 WT5 H ATOM 53655 H2 TIP3 8403 -6.180 -21.722 -21.860 1.00 0.00 WT5 H ATOM 53656 OH2 TIP3 8408 -2.395 -2.554 0.473 1.00 0.00 WT5 O ATOM 53657 H1 TIP3 8408 -6.410 -2.466 27.450 1.00 0.00 WT5 H ATOM 53658 H2 TIP3 8408 15.944 17.654 -14.805 1.00 0.00 WT5 H ATOM 53659 OH2 TIP3 8411 -0.031 -7.916 -7.222 1.00 0.00 WT5 O ATOM 53660 H1 TIP3 8411 22.731 -8.219 23.930 1.00 0.00 WT5 H ATOM 53661 H2 TIP3 8411 20.757 5.254 -3.089 1.00 0.00 WT5 H ATOM 53662 OH2 TIP3 8414 -4.370 -3.734 -1.430 1.00 0.00 WT5 O ATOM 53663 H1 TIP3 8414 -2.946 -2.345 15.712 1.00 0.00 WT5 H ATOM 53664 H2 TIP3 8414 -20.844 10.434 5.516 1.00 0.00 WT5 H ATOM 53665 OH2 TIP3 8419 -8.389 0.849 2.116 1.00 0.00 WT5 O ATOM 53666 H1 TIP3 8419 9.067 -7.257 -5.809 1.00 0.00 WT5 H ATOM 53667 H2 TIP3 8419 -8.628 11.669 7.139 1.00 0.00 WT5 H ATOM 53668 OH2 TIP3 8425 1.803 3.067 -0.168 1.00 0.00 WT5 O ATOM 53669 H1 TIP3 8425 13.134 -36.781 -0.506 1.00 0.00 WT5 H ATOM 53670 H2 TIP3 8425 8.886 9.687 8.168 1.00 0.00 WT5 H ATOM 53671 OH2 TIP3 8440 -1.580 1.849 -0.248 1.00 0.00 WT5 O ATOM 53672 H1 TIP3 8440 7.605 -0.574 4.826 1.00 0.00 WT5 H ATOM 53673 H2 TIP3 8440 1.167 0.097 4.673 1.00 0.00 WT5 H ATOM 53674 OH2 TIP3 8448 0.226 0.692 -4.086 1.00 0.00 WT5 O ATOM 53675 H1 TIP3 8448 3.353 19.277 15.125 1.00 0.00 WT5 H ATOM 53676 H2 TIP3 8448 4.337 -15.389 2.385 1.00 0.00 WT5 H ATOM 53677 OH2 TIP3 8452 -1.055 4.272 -0.534 1.00 0.00 WT5 O ATOM 53678 H1 TIP3 8452 -4.249 2.963 5.937 1.00 0.00 WT5 H ATOM 53679 H2 TIP3 8452 -0.961 12.730 3.213 1.00 0.00 WT5 H ATOM 53680 OH2 TIP3 8459 3.074 2.913 -1.174 1.00 0.00 WT5 O ATOM 53681 H1 TIP3 8459 5.035 12.103 -11.169 1.00 0.00 WT5 H ATOM 53682 H2 TIP3 8459 -10.589 -31.813 31.506 1.00 0.00 WT5 H ATOM 53683 OH2 TIP3 8466 -3.092 -1.133 -1.188 1.00 0.00 WT5 O ATOM 53684 H1 TIP3 8466 11.546 6.197 7.150 1.00 0.00 WT5 H ATOM 53685 H2 TIP3 8466 5.383 -9.686 -18.687 1.00 0.00 WT5 H ATOM 53686 OH2 TIP3 8468 -0.434 0.904 1.688 1.00 0.00 WT5 O ATOM 53687 H1 TIP3 8468 -11.353 -34.656 -7.844 1.00 0.00 WT5 H ATOM 53688 H2 TIP3 8468 0.106 -21.042 -5.715 1.00 0.00 WT5 H ATOM 53689 OH2 TIP3 8488 -2.351 2.399 5.316 1.00 0.00 WT5 O ATOM 53690 H1 TIP3 8488 12.625 5.270 -6.623 1.00 0.00 WT5 H ATOM 53691 H2 TIP3 8488 -18.450 2.532 -6.060 1.00 0.00 WT5 H ATOM 53692 OH2 TIP3 8492 1.850 -5.315 0.454 1.00 0.00 WT5 O ATOM 53693 H1 TIP3 8492 4.969 -1.167 1.590 1.00 0.00 WT5 H ATOM 53694 H2 TIP3 8492 6.603 -8.458 2.931 1.00 0.00 WT5 H ATOM 53695 OH2 TIP3 8500 1.144 -0.489 1.269 1.00 0.00 WT5 O ATOM 53696 H1 TIP3 8500 -8.704 10.274 8.330 1.00 0.00 WT5 H ATOM 53697 H2 TIP3 8500 -13.818 2.635 -5.931 1.00 0.00 WT5 H ATOM 53698 OH2 TIP3 8518 -2.186 1.515 2.571 1.00 0.00 WT5 O ATOM 53699 H1 TIP3 8518 20.546 -26.914 2.116 1.00 0.00 WT5 H ATOM 53700 H2 TIP3 8518 -16.914 12.617 -13.927 1.00 0.00 WT5 H ATOM 53701 OH2 TIP3 8520 -4.131 2.480 1.308 1.00 0.00 WT5 O ATOM 53702 H1 TIP3 8520 -19.505 -9.952 -29.636 1.00 0.00 WT5 H ATOM 53703 H2 TIP3 8520 32.315 -13.155 -11.662 1.00 0.00 WT5 H ATOM 53704 OH2 TIP3 8534 1.902 -0.611 -0.850 1.00 0.00 WT5 O ATOM 53705 H1 TIP3 8534 -0.403 -7.117 -23.002 1.00 0.00 WT5 H ATOM 53706 H2 TIP3 8534 12.456 -6.703 5.892 1.00 0.00 WT5 H ATOM 53707 OH2 TIP3 8536 2.404 5.713 1.428 1.00 0.00 WT5 O ATOM 53708 H1 TIP3 8536 17.213 11.926 -32.243 1.00 0.00 WT5 H ATOM 53709 H2 TIP3 8536 3.497 15.427 12.468 1.00 0.00 WT5 H ATOM 53710 OH2 TIP3 8537 1.490 4.215 -3.322 1.00 0.00 WT5 O ATOM 53711 H1 TIP3 8537 -14.399 -10.682 9.793 1.00 0.00 WT5 H ATOM 53712 H2 TIP3 8537 -16.261 8.503 -3.846 1.00 0.00 WT5 H ATOM 53713 OH2 TIP3 8549 -2.684 1.055 1.733 1.00 0.00 WT5 O ATOM 53714 H1 TIP3 8549 23.979 0.864 17.344 1.00 0.00 WT5 H ATOM 53715 H2 TIP3 8549 -8.214 14.722 15.833 1.00 0.00 WT5 H ATOM 53716 OH2 TIP3 8556 -4.804 5.335 3.491 1.00 0.00 WT5 O ATOM 53717 H1 TIP3 8556 -8.431 -17.954 5.990 1.00 0.00 WT5 H ATOM 53718 H2 TIP3 8556 9.404 11.621 20.386 1.00 0.00 WT5 H ATOM 53719 OH2 TIP3 8558 -2.339 -2.862 8.541 1.00 0.00 WT5 O ATOM 53720 H1 TIP3 8558 -20.441 10.125 7.982 1.00 0.00 WT5 H ATOM 53721 H2 TIP3 8558 -11.692 17.151 12.814 1.00 0.00 WT5 H ATOM 53722 OH2 TIP3 8560 -0.682 -10.019 -0.139 1.00 0.00 WT5 O ATOM 53723 H1 TIP3 8560 3.584 0.554 14.098 1.00 0.00 WT5 H ATOM 53724 H2 TIP3 8560 -1.214 2.238 9.986 1.00 0.00 WT5 H ATOM 53725 OH2 TIP3 8566 2.717 -5.526 -5.857 1.00 0.00 WT5 O ATOM 53726 H1 TIP3 8566 1.618 -0.969 -4.139 1.00 0.00 WT5 H ATOM 53727 H2 TIP3 8566 0.426 -7.475 -10.132 1.00 0.00 WT5 H ATOM 53728 OH2 TIP3 8567 8.786 1.312 -2.032 1.00 0.00 WT5 O ATOM 53729 H1 TIP3 8567 13.317 0.428 -0.196 1.00 0.00 WT5 H ATOM 53730 H2 TIP3 8567 -8.325 -3.235 -6.274 1.00 0.00 WT5 H ATOM 53731 OH2 TIP3 8570 3.380 7.739 -3.408 1.00 0.00 WT5 O ATOM 53732 H1 TIP3 8570 14.391 22.614 -1.805 1.00 0.00 WT5 H ATOM 53733 H2 TIP3 8570 -18.417 -20.474 -4.842 1.00 0.00 WT5 H ATOM 53734 OH2 TIP3 8574 5.986 -2.383 0.774 1.00 0.00 WT5 O ATOM 53735 H1 TIP3 8574 7.190 -4.385 -0.074 1.00 0.00 WT5 H ATOM 53736 H2 TIP3 8574 6.262 -3.287 4.605 1.00 0.00 WT5 H ATOM 53737 OH2 TIP3 8585 -1.521 2.828 4.553 1.00 0.00 WT5 O ATOM 53738 H1 TIP3 8585 -1.077 -11.596 22.383 1.00 0.00 WT5 H ATOM 53739 H2 TIP3 8585 -0.057 4.037 -9.705 1.00 0.00 WT5 H ATOM 53740 OH2 TIP3 8600 0.088 1.865 2.537 1.00 0.00 WT5 O ATOM 53741 H1 TIP3 8600 -2.542 18.183 -8.623 1.00 0.00 WT5 H ATOM 53742 H2 TIP3 8600 -18.461 -4.574 6.534 1.00 0.00 WT5 H ATOM 53743 OH2 TIP3 8608 0.785 0.389 -0.823 1.00 0.00 WT5 O ATOM 53744 H1 TIP3 8608 -36.812 -3.947 -10.462 1.00 0.00 WT5 H ATOM 53745 H2 TIP3 8608 -1.119 12.712 -12.388 1.00 0.00 WT5 H ATOM 53746 OH2 TIP3 8622 -5.141 -0.923 2.857 1.00 0.00 WT5 O ATOM 53747 H1 TIP3 8622 -12.948 2.764 -10.037 1.00 0.00 WT5 H ATOM 53748 H2 TIP3 8622 9.280 -17.464 10.176 1.00 0.00 WT5 H ATOM 53749 OH2 TIP3 8626 -0.442 0.174 -5.563 1.00 0.00 WT5 O ATOM 53750 H1 TIP3 8626 5.856 6.961 1.534 1.00 0.00 WT5 H ATOM 53751 H2 TIP3 8626 -5.349 3.599 4.311 1.00 0.00 WT5 H ATOM 53752 OH2 TIP3 8628 0.831 0.340 7.163 1.00 0.00 WT5 O ATOM 53753 H1 TIP3 8628 20.151 7.677 -18.065 1.00 0.00 WT5 H ATOM 53754 H2 TIP3 8628 -2.874 3.020 -6.071 1.00 0.00 WT5 H ATOM 53755 OH2 TIP3 8642 -3.485 1.419 1.522 1.00 0.00 WT5 O ATOM 53756 H1 TIP3 8642 -11.524 -3.342 4.136 1.00 0.00 WT5 H ATOM 53757 H2 TIP3 8642 -7.587 5.353 -6.630 1.00 0.00 WT5 H ATOM 53758 OH2 TIP3 8645 -2.310 -4.743 -1.815 1.00 0.00 WT5 O ATOM 53759 H1 TIP3 8645 -2.976 2.212 -0.537 1.00 0.00 WT5 H ATOM 53760 H2 TIP3 8645 6.186 -2.857 -5.019 1.00 0.00 WT5 H ATOM 53761 OH2 TIP3 8653 -2.099 4.591 -1.276 1.00 0.00 WT5 O ATOM 53762 H1 TIP3 8653 5.294 18.151 -7.345 1.00 0.00 WT5 H ATOM 53763 H2 TIP3 8653 7.449 10.598 10.127 1.00 0.00 WT5 H ATOM 53764 OH2 TIP3 8658 -1.101 -0.205 -1.001 1.00 0.00 WT5 O ATOM 53765 H1 TIP3 8658 -22.320 -10.498 -8.476 1.00 0.00 WT5 H ATOM 53766 H2 TIP3 8658 1.980 5.357 -2.073 1.00 0.00 WT5 H ATOM 53767 OH2 TIP3 8661 -2.235 -1.458 0.567 1.00 0.00 WT5 O ATOM 53768 H1 TIP3 8661 -4.119 7.650 13.057 1.00 0.00 WT5 H ATOM 53769 H2 TIP3 8661 3.223 -14.177 -18.898 1.00 0.00 WT5 H ATOM 53770 OH2 TIP3 8662 2.347 3.040 -2.475 1.00 0.00 WT5 O ATOM 53771 H1 TIP3 8662 1.482 -5.241 -19.041 1.00 0.00 WT5 H ATOM 53772 H2 TIP3 8662 5.080 6.712 10.085 1.00 0.00 WT5 H ATOM 53773 OH2 TIP3 8666 0.701 -1.601 1.125 1.00 0.00 WT5 O ATOM 53774 H1 TIP3 8666 8.662 4.700 0.952 1.00 0.00 WT5 H ATOM 53775 H2 TIP3 8666 -8.424 -0.258 -6.481 1.00 0.00 WT5 H ATOM 53776 OH2 TIP3 8675 3.135 4.870 -3.751 1.00 0.00 WT5 O ATOM 53777 H1 TIP3 8675 5.068 4.205 -0.965 1.00 0.00 WT5 H ATOM 53778 H2 TIP3 8675 -18.947 -14.264 14.457 1.00 0.00 WT5 H ATOM 53779 OH2 TIP3 8679 -4.289 -4.842 2.621 1.00 0.00 WT5 O ATOM 53780 H1 TIP3 8679 5.217 -19.181 7.439 1.00 0.00 WT5 H ATOM 53781 H2 TIP3 8679 -4.603 -17.675 7.943 1.00 0.00 WT5 H ATOM 53782 OH2 TIP3 8680 -6.952 0.734 -4.540 1.00 0.00 WT5 O ATOM 53783 H1 TIP3 8680 6.127 7.204 -20.946 1.00 0.00 WT5 H ATOM 53784 H2 TIP3 8680 17.398 -12.256 0.492 1.00 0.00 WT5 H ATOM 53785 OH2 TIP3 8683 -0.646 -0.464 3.262 1.00 0.00 WT5 O ATOM 53786 H1 TIP3 8683 -12.173 0.061 -4.943 1.00 0.00 WT5 H ATOM 53787 H2 TIP3 8683 -4.765 -7.566 4.731 1.00 0.00 WT5 H ATOM 53788 OH2 TIP3 8687 1.198 -1.529 3.449 1.00 0.00 WT5 O ATOM 53789 H1 TIP3 8687 5.072 -21.281 -19.504 1.00 0.00 WT5 H ATOM 53790 H2 TIP3 8687 13.758 -11.298 -1.448 1.00 0.00 WT5 H ATOM 53791 OH2 TIP3 8688 -1.201 -0.645 3.555 1.00 0.00 WT5 O ATOM 53792 H1 TIP3 8688 -7.293 -12.434 -0.704 1.00 0.00 WT5 H ATOM 53793 H2 TIP3 8688 -8.431 4.490 13.195 1.00 0.00 WT5 H ATOM 53794 OH2 TIP3 8690 2.212 -4.889 5.880 1.00 0.00 WT5 O ATOM 53795 H1 TIP3 8690 -1.191 3.394 3.857 1.00 0.00 WT5 H ATOM 53796 H2 TIP3 8690 -17.813 18.056 -4.328 1.00 0.00 WT5 H ATOM 53797 OH2 TIP3 8691 -0.643 -3.298 -2.406 1.00 0.00 WT5 O ATOM 53798 H1 TIP3 8691 -8.101 8.320 -3.343 1.00 0.00 WT5 H ATOM 53799 H2 TIP3 8691 12.248 -0.836 -11.349 1.00 0.00 WT5 H ATOM 53800 OH2 TIP3 8695 3.785 4.232 -1.788 1.00 0.00 WT5 O ATOM 53801 H1 TIP3 8695 -11.141 -5.297 -7.319 1.00 0.00 WT5 H ATOM 53802 H2 TIP3 8695 -4.274 12.205 14.326 1.00 0.00 WT5 H ATOM 53803 OH2 TIP3 8699 -3.253 2.713 -5.227 1.00 0.00 WT5 O ATOM 53804 H1 TIP3 8699 7.665 1.946 -12.143 1.00 0.00 WT5 H ATOM 53805 H2 TIP3 8699 1.273 0.759 -8.581 1.00 0.00 WT5 H ATOM 53806 OH2 TIP3 8701 9.683 3.997 5.508 1.00 0.00 WT5 O ATOM 53807 H1 TIP3 8701 6.765 4.419 2.289 1.00 0.00 WT5 H ATOM 53808 H2 TIP3 8701 3.993 16.437 -16.125 1.00 0.00 WT5 H ATOM 53809 OH2 TIP3 8711 0.309 -3.316 6.492 1.00 0.00 WT5 O ATOM 53810 H1 TIP3 8711 5.634 -8.111 -29.269 1.00 0.00 WT5 H ATOM 53811 H2 TIP3 8711 7.226 2.693 20.532 1.00 0.00 WT5 H ATOM 53812 OH2 TIP3 8713 3.125 4.996 6.674 1.00 0.00 WT5 O ATOM 53813 H1 TIP3 8713 0.084 7.918 12.185 1.00 0.00 WT5 H ATOM 53814 H2 TIP3 8713 8.808 -1.569 -6.653 1.00 0.00 WT5 H ATOM 53815 OH2 TIP3 8721 7.310 5.593 -4.425 1.00 0.00 WT5 O ATOM 53816 H1 TIP3 8721 30.933 2.265 -23.412 1.00 0.00 WT5 H ATOM 53817 H2 TIP3 8721 -26.248 -13.783 -2.420 1.00 0.00 WT5 H ATOM 53818 OH2 TIP3 8722 0.612 1.297 -1.859 1.00 0.00 WT5 O ATOM 53819 H1 TIP3 8722 -0.805 -10.852 -13.570 1.00 0.00 WT5 H ATOM 53820 H2 TIP3 8722 1.351 -3.364 -3.476 1.00 0.00 WT5 H ATOM 53821 OH2 TIP3 8723 2.294 10.091 7.684 1.00 0.00 WT5 O ATOM 53822 H1 TIP3 8723 -2.223 13.081 11.573 1.00 0.00 WT5 H ATOM 53823 H2 TIP3 8723 5.840 6.312 0.934 1.00 0.00 WT5 H ATOM 53824 OH2 TIP3 8732 -5.742 0.868 -4.022 1.00 0.00 WT5 O ATOM 53825 H1 TIP3 8732 -1.856 -3.465 1.544 1.00 0.00 WT5 H ATOM 53826 H2 TIP3 8732 -9.486 4.409 -22.359 1.00 0.00 WT5 H ATOM 53827 OH2 TIP3 8748 -3.681 -7.779 0.699 1.00 0.00 WT5 O ATOM 53828 H1 TIP3 8748 17.961 6.697 -7.927 1.00 0.00 WT5 H ATOM 53829 H2 TIP3 8748 0.998 -0.675 25.123 1.00 0.00 WT5 H ATOM 53830 OH2 TIP3 8774 -3.644 1.077 5.647 1.00 0.00 WT5 O ATOM 53831 H1 TIP3 8774 -5.075 -7.239 19.045 1.00 0.00 WT5 H ATOM 53832 H2 TIP3 8774 -7.423 -3.813 3.862 1.00 0.00 WT5 H ATOM 53833 OH2 TIP3 8780 -5.469 -3.509 -0.236 1.00 0.00 WT5 O ATOM 53834 H1 TIP3 8780 -6.691 -0.411 5.191 1.00 0.00 WT5 H ATOM 53835 H2 TIP3 8780 -9.535 7.092 12.272 1.00 0.00 WT5 H ATOM 53836 OH2 TIP3 8791 1.509 2.912 7.815 1.00 0.00 WT5 O ATOM 53837 H1 TIP3 8791 -8.299 -1.341 -5.118 1.00 0.00 WT5 H ATOM 53838 H2 TIP3 8791 28.481 9.321 5.150 1.00 0.00 WT5 H ATOM 53839 OH2 TIP3 8800 3.530 0.656 2.194 1.00 0.00 WT5 O ATOM 53840 H1 TIP3 8800 21.333 0.601 4.052 1.00 0.00 WT5 H ATOM 53841 H2 TIP3 8800 9.497 -0.866 -0.799 1.00 0.00 WT5 H ATOM 53842 OH2 TIP3 8809 -0.290 3.599 -6.574 1.00 0.00 WT5 O ATOM 53843 H1 TIP3 8809 12.932 12.010 -17.641 1.00 0.00 WT5 H ATOM 53844 H2 TIP3 8809 8.342 -24.640 1.681 1.00 0.00 WT5 H ATOM 53845 OH2 TIP3 8813 -0.062 3.130 -7.204 1.00 0.00 WT5 O ATOM 53846 H1 TIP3 8813 -34.145 16.412 -30.382 1.00 0.00 WT5 H ATOM 53847 H2 TIP3 8813 3.122 23.540 34.026 1.00 0.00 WT5 H ATOM 53848 OH2 TIP3 8822 3.278 1.771 -5.039 1.00 0.00 WT5 O ATOM 53849 H1 TIP3 8822 10.262 6.947 5.944 1.00 0.00 WT5 H ATOM 53850 H2 TIP3 8822 3.240 -1.941 2.646 1.00 0.00 WT5 H ATOM 53851 OH2 TIP3 8824 5.431 11.646 -4.626 1.00 0.00 WT5 O ATOM 53852 H1 TIP3 8824 8.508 -0.775 22.023 1.00 0.00 WT5 H ATOM 53853 H2 TIP3 8824 1.598 -4.765 -16.974 1.00 0.00 WT5 H ATOM 53854 OH2 TIP3 8829 1.972 -2.161 0.097 1.00 0.00 WT5 O ATOM 53855 H1 TIP3 8829 -4.714 18.294 -21.152 1.00 0.00 WT5 H ATOM 53856 H2 TIP3 8829 4.602 -4.168 5.004 1.00 0.00 WT5 H ATOM 53857 OH2 TIP3 8833 -3.908 0.070 -5.215 1.00 0.00 WT5 O ATOM 53858 H1 TIP3 8833 1.941 13.449 -2.785 1.00 0.00 WT5 H ATOM 53859 H2 TIP3 8833 5.523 -16.406 8.059 1.00 0.00 WT5 H ATOM 53860 OH2 TIP3 8841 -2.668 -6.669 -6.655 1.00 0.00 WT5 O ATOM 53861 H1 TIP3 8841 19.780 27.268 -3.291 1.00 0.00 WT5 H ATOM 53862 H2 TIP3 8841 16.649 -1.338 -11.089 1.00 0.00 WT5 H ATOM 53863 OH2 TIP3 8845 -3.941 4.497 4.470 1.00 0.00 WT5 O ATOM 53864 H1 TIP3 8845 -0.063 -12.272 -39.656 1.00 0.00 WT5 H ATOM 53865 H2 TIP3 8845 -4.888 1.108 3.133 1.00 0.00 WT5 H ATOM 53866 OH2 TIP3 8851 -0.979 -1.758 0.805 1.00 0.00 WT5 O ATOM 53867 H1 TIP3 8851 23.814 -26.488 12.478 1.00 0.00 WT5 H ATOM 53868 H2 TIP3 8851 -2.882 -2.301 2.405 1.00 0.00 WT5 H ATOM 53869 OH2 TIP3 8855 2.647 3.423 0.919 1.00 0.00 WT5 O ATOM 53870 H1 TIP3 8855 6.805 -6.883 -14.377 1.00 0.00 WT5 H ATOM 53871 H2 TIP3 8855 0.610 1.380 1.794 1.00 0.00 WT5 H ATOM 53872 OH2 TIP3 8860 -1.097 0.113 8.847 1.00 0.00 WT5 O ATOM 53873 H1 TIP3 8860 -5.892 5.443 5.364 1.00 0.00 WT5 H ATOM 53874 H2 TIP3 8860 -1.446 -1.205 10.816 1.00 0.00 WT5 H ATOM 53875 OH2 TIP3 8864 -3.468 -1.137 -4.871 1.00 0.00 WT5 O ATOM 53876 H1 TIP3 8864 -6.115 2.246 -15.069 1.00 0.00 WT5 H ATOM 53877 H2 TIP3 8864 15.603 9.277 -15.934 1.00 0.00 WT5 H ATOM 53878 OH2 TIP3 8870 0.654 -2.185 -2.582 1.00 0.00 WT5 O ATOM 53879 H1 TIP3 8870 12.837 -1.719 12.195 1.00 0.00 WT5 H ATOM 53880 H2 TIP3 8870 -0.316 -8.572 -11.362 1.00 0.00 WT5 H ATOM 53881 OH2 TIP3 8872 -1.847 4.183 3.219 1.00 0.00 WT5 O ATOM 53882 H1 TIP3 8872 -15.119 12.390 -16.872 1.00 0.00 WT5 H ATOM 53883 H2 TIP3 8872 5.242 14.094 26.088 1.00 0.00 WT5 H ATOM 53884 OH2 TIP3 8876 3.069 5.015 -6.177 1.00 0.00 WT5 O ATOM 53885 H1 TIP3 8876 -3.986 -5.272 -3.607 1.00 0.00 WT5 H ATOM 53886 H2 TIP3 8876 0.417 13.364 8.411 1.00 0.00 WT5 H ATOM 53887 OH2 TIP3 8877 -1.152 1.273 -1.952 1.00 0.00 WT5 O ATOM 53888 H1 TIP3 8877 7.006 25.853 -19.197 1.00 0.00 WT5 H ATOM 53889 H2 TIP3 8877 -5.071 5.208 -5.304 1.00 0.00 WT5 H ATOM 53890 OH2 TIP3 8879 -0.871 -6.737 -4.693 1.00 0.00 WT5 O ATOM 53891 H1 TIP3 8879 5.176 0.360 3.792 1.00 0.00 WT5 H ATOM 53892 H2 TIP3 8879 -15.169 -8.349 -1.632 1.00 0.00 WT5 H ATOM 53893 OH2 TIP3 8890 2.119 -2.378 -0.156 1.00 0.00 WT5 O ATOM 53894 H1 TIP3 8890 9.240 2.606 -9.982 1.00 0.00 WT5 H ATOM 53895 H2 TIP3 8890 -21.237 15.628 -2.421 1.00 0.00 WT5 H ATOM 53896 OH2 TIP3 8892 1.542 -1.741 6.175 1.00 0.00 WT5 O ATOM 53897 H1 TIP3 8892 18.041 16.201 -36.098 1.00 0.00 WT5 H ATOM 53898 H2 TIP3 8892 9.327 11.626 11.175 1.00 0.00 WT5 H ATOM 53899 OH2 TIP3 8893 -2.005 0.735 2.437 1.00 0.00 WT5 O ATOM 53900 H1 TIP3 8893 23.059 16.671 31.310 1.00 0.00 WT5 H ATOM 53901 H2 TIP3 8893 5.943 -3.547 -14.470 1.00 0.00 WT5 H ATOM 53902 OH2 TIP3 8894 -1.074 1.511 -3.905 1.00 0.00 WT5 O ATOM 53903 H1 TIP3 8894 20.511 4.072 9.725 1.00 0.00 WT5 H ATOM 53904 H2 TIP3 8894 -19.509 -20.336 18.607 1.00 0.00 WT5 H ATOM 53905 OH2 TIP3 8904 3.497 -2.029 -4.538 1.00 0.00 WT5 O ATOM 53906 H1 TIP3 8904 3.776 5.188 -7.113 1.00 0.00 WT5 H ATOM 53907 H2 TIP3 8904 1.344 -18.949 -0.058 1.00 0.00 WT5 H ATOM 53908 OH2 TIP3 8920 3.434 1.241 0.889 1.00 0.00 WT5 O ATOM 53909 H1 TIP3 8920 -2.494 -3.472 -34.048 1.00 0.00 WT5 H ATOM 53910 H2 TIP3 8920 18.704 1.744 15.568 1.00 0.00 WT5 H ATOM 53911 OH2 TIP3 8927 -3.889 5.432 -3.774 1.00 0.00 WT5 O ATOM 53912 H1 TIP3 8927 2.809 12.366 -11.428 1.00 0.00 WT5 H ATOM 53913 H2 TIP3 8927 -23.883 7.636 2.671 1.00 0.00 WT5 H ATOM 53914 OH2 TIP3 8935 -2.249 -2.743 -2.929 1.00 0.00 WT5 O ATOM 53915 H1 TIP3 8935 -12.627 -6.452 23.574 1.00 0.00 WT5 H ATOM 53916 H2 TIP3 8935 -1.150 -6.370 -4.624 1.00 0.00 WT5 H ATOM 53917 OH2 TIP3 8937 -0.065 -3.728 2.788 1.00 0.00 WT5 O ATOM 53918 H1 TIP3 8937 5.264 -6.484 -9.708 1.00 0.00 WT5 H ATOM 53919 H2 TIP3 8937 -5.032 12.425 -0.828 1.00 0.00 WT5 H ATOM 53920 OH2 TIP3 8938 -1.351 4.784 -3.020 1.00 0.00 WT5 O ATOM 53921 H1 TIP3 8938 -3.017 0.916 10.158 1.00 0.00 WT5 H ATOM 53922 H2 TIP3 8938 8.608 -4.952 0.276 1.00 0.00 WT5 H ATOM 53923 OH2 TIP3 8939 2.186 10.715 5.626 1.00 0.00 WT5 O ATOM 53924 H1 TIP3 8939 26.151 -9.138 6.727 1.00 0.00 WT5 H ATOM 53925 H2 TIP3 8939 25.155 -13.401 15.752 1.00 0.00 WT5 H ATOM 53926 OH2 TIP3 8942 5.301 0.539 -3.760 1.00 0.00 WT5 O ATOM 53927 H1 TIP3 8942 3.411 13.727 12.695 1.00 0.00 WT5 H ATOM 53928 H2 TIP3 8942 -10.010 -2.516 -7.600 1.00 0.00 WT5 H ATOM 53929 OH2 TIP3 8956 0.552 -4.408 -1.439 1.00 0.00 WT5 O ATOM 53930 H1 TIP3 8956 14.330 -22.791 13.856 1.00 0.00 WT5 H ATOM 53931 H2 TIP3 8956 15.899 -9.436 -24.214 1.00 0.00 WT5 H ATOM 53932 OH2 TIP3 8960 -6.354 -1.071 0.298 1.00 0.00 WT5 O ATOM 53933 H1 TIP3 8960 -4.333 -9.592 -0.440 1.00 0.00 WT5 H ATOM 53934 H2 TIP3 8960 -11.404 4.161 -5.549 1.00 0.00 WT5 H ATOM 53935 OH2 TIP3 8964 8.285 4.789 0.736 1.00 0.00 WT5 O ATOM 53936 H1 TIP3 8964 4.584 1.792 -0.688 1.00 0.00 WT5 H ATOM 53937 H2 TIP3 8964 6.168 4.490 2.359 1.00 0.00 WT5 H ATOM 53938 OH2 TIP3 8972 -8.763 2.549 -6.033 1.00 0.00 WT5 O ATOM 53939 H1 TIP3 8972 7.819 -20.479 -2.434 1.00 0.00 WT5 H ATOM 53940 H2 TIP3 8972 -23.873 -11.226 9.470 1.00 0.00 WT5 H ATOM 53941 OH2 TIP3 8973 -5.805 0.779 3.228 1.00 0.00 WT5 O ATOM 53942 H1 TIP3 8973 -6.837 -5.765 13.762 1.00 0.00 WT5 H ATOM 53943 H2 TIP3 8973 1.501 -4.819 0.754 1.00 0.00 WT5 H ATOM 53944 OH2 TIP3 8977 0.378 0.545 0.018 1.00 0.00 WT5 O ATOM 53945 H1 TIP3 8977 -7.962 8.154 -0.103 1.00 0.00 WT5 H ATOM 53946 H2 TIP3 8977 5.084 -0.940 12.161 1.00 0.00 WT5 H ATOM 53947 OH2 TIP3 8982 -0.901 -4.455 -1.335 1.00 0.00 WT5 O ATOM 53948 H1 TIP3 8982 -0.643 3.049 -3.522 1.00 0.00 WT5 H ATOM 53949 H2 TIP3 8982 -1.359 -6.824 -1.626 1.00 0.00 WT5 H ATOM 53950 OH2 TIP3 8984 -1.182 0.830 -6.671 1.00 0.00 WT5 O ATOM 53951 H1 TIP3 8984 -1.402 -5.724 -4.033 1.00 0.00 WT5 H ATOM 53952 H2 TIP3 8984 4.876 21.638 -17.956 1.00 0.00 WT5 H ATOM 53953 OH2 TIP3 8988 0.951 -0.419 3.432 1.00 0.00 WT5 O ATOM 53954 H1 TIP3 8988 -9.098 -0.224 0.997 1.00 0.00 WT5 H ATOM 53955 H2 TIP3 8988 -5.976 -17.895 -0.847 1.00 0.00 WT5 H ATOM 53956 OH2 TIP3 9005 -4.389 5.639 -1.766 1.00 0.00 WT5 O ATOM 53957 H1 TIP3 9005 -14.295 -9.129 -8.735 1.00 0.00 WT5 H ATOM 53958 H2 TIP3 9005 -6.683 0.134 -19.483 1.00 0.00 WT5 H ATOM 53959 OH2 TIP3 9012 2.079 3.669 9.393 1.00 0.00 WT5 O ATOM 53960 H1 TIP3 9012 -5.599 -0.413 -4.705 1.00 0.00 WT5 H ATOM 53961 H2 TIP3 9012 21.453 7.686 7.148 1.00 0.00 WT5 H ATOM 53962 OH2 TIP3 9017 -7.064 1.409 -6.787 1.00 0.00 WT5 O ATOM 53963 H1 TIP3 9017 -2.414 -2.841 5.025 1.00 0.00 WT5 H ATOM 53964 H2 TIP3 9017 -10.182 20.481 17.443 1.00 0.00 WT5 H ATOM 53965 OH2 TIP3 9022 -1.145 5.527 -1.911 1.00 0.00 WT5 O ATOM 53966 H1 TIP3 9022 1.365 -1.868 -5.790 1.00 0.00 WT5 H ATOM 53967 H2 TIP3 9022 -0.433 8.693 -0.665 1.00 0.00 WT5 H ATOM 53968 OH2 TIP3 9029 0.750 -0.853 -2.002 1.00 0.00 WT5 O ATOM 53969 H1 TIP3 9029 0.292 -18.817 1.933 1.00 0.00 WT5 H ATOM 53970 H2 TIP3 9029 6.035 -11.241 -4.178 1.00 0.00 WT5 H ATOM 53971 OH2 TIP3 9035 -6.428 6.524 0.967 1.00 0.00 WT5 O ATOM 53972 H1 TIP3 9035 -16.941 -34.583 6.499 1.00 0.00 WT5 H ATOM 53973 H2 TIP3 9035 14.163 6.423 5.871 1.00 0.00 WT5 H ATOM 53974 OH2 TIP3 9047 3.379 5.778 3.929 1.00 0.00 WT5 O ATOM 53975 H1 TIP3 9047 4.700 10.010 -5.372 1.00 0.00 WT5 H ATOM 53976 H2 TIP3 9047 3.240 3.120 11.142 1.00 0.00 WT5 H ATOM 53977 OH2 TIP3 9049 -0.498 -2.355 -3.031 1.00 0.00 WT5 O ATOM 53978 H1 TIP3 9049 -1.645 -8.372 -6.526 1.00 0.00 WT5 H ATOM 53979 H2 TIP3 9049 -9.310 10.104 24.654 1.00 0.00 WT5 H ATOM 53980 OH2 TIP3 9055 -5.903 2.670 -2.114 1.00 0.00 WT5 O ATOM 53981 H1 TIP3 9055 -0.017 -13.810 23.176 1.00 0.00 WT5 H ATOM 53982 H2 TIP3 9055 -19.496 -18.640 -19.874 1.00 0.00 WT5 H ATOM 53983 OH2 TIP3 9063 -3.410 0.256 3.118 1.00 0.00 WT5 O ATOM 53984 H1 TIP3 9063 -15.820 -12.663 10.856 1.00 0.00 WT5 H ATOM 53985 H2 TIP3 9063 32.075 19.851 -0.157 1.00 0.00 WT5 H ATOM 53986 OH2 TIP3 9064 -1.165 -2.422 0.179 1.00 0.00 WT5 O ATOM 53987 H1 TIP3 9064 4.085 20.362 10.264 1.00 0.00 WT5 H ATOM 53988 H2 TIP3 9064 -4.218 -5.552 -11.233 1.00 0.00 WT5 H ATOM 53989 OH2 TIP3 9065 -0.653 0.225 0.998 1.00 0.00 WT5 O ATOM 53990 H1 TIP3 9065 5.040 -9.802 -23.169 1.00 0.00 WT5 H ATOM 53991 H2 TIP3 9065 2.356 -5.356 25.098 1.00 0.00 WT5 H ATOM 53992 OH2 TIP3 9068 -3.463 5.625 -6.188 1.00 0.00 WT5 O ATOM 53993 H1 TIP3 9068 -11.958 5.621 -7.120 1.00 0.00 WT5 H ATOM 53994 H2 TIP3 9068 -1.249 -8.482 -0.293 1.00 0.00 WT5 H ATOM 53995 OH2 TIP3 9073 1.613 4.696 7.821 1.00 0.00 WT5 O ATOM 53996 H1 TIP3 9073 10.276 8.165 7.968 1.00 0.00 WT5 H ATOM 53997 H2 TIP3 9073 -8.813 9.997 5.814 1.00 0.00 WT5 H ATOM 53998 OH2 TIP3 9077 0.928 -3.912 -3.828 1.00 0.00 WT5 O ATOM 53999 H1 TIP3 9077 -2.046 4.836 -0.028 1.00 0.00 WT5 H ATOM 54000 H2 TIP3 9077 9.294 15.393 24.049 1.00 0.00 WT5 H ATOM 54001 OH2 TIP3 9085 1.011 1.427 -0.467 1.00 0.00 WT5 O ATOM 54002 H1 TIP3 9085 0.643 -17.588 -0.614 1.00 0.00 WT5 H ATOM 54003 H2 TIP3 9085 2.173 -4.658 0.041 1.00 0.00 WT5 H ATOM 54004 OH2 TIP3 9091 2.448 3.357 0.750 1.00 0.00 WT5 O ATOM 54005 H1 TIP3 9091 0.157 -4.981 -0.959 1.00 0.00 WT5 H ATOM 54006 H2 TIP3 9091 2.757 -7.568 11.458 1.00 0.00 WT5 H ATOM 54007 OH2 TIP3 9096 -5.364 -4.841 -1.735 1.00 0.00 WT5 O ATOM 54008 H1 TIP3 9096 -12.057 -3.868 -10.651 1.00 0.00 WT5 H ATOM 54009 H2 TIP3 9096 -7.353 5.066 5.817 1.00 0.00 WT5 H ATOM 54010 OH2 TIP3 9097 3.092 -7.702 -3.153 1.00 0.00 WT5 O ATOM 54011 H1 TIP3 9097 -16.072 0.116 -2.489 1.00 0.00 WT5 H ATOM 54012 H2 TIP3 9097 32.766 17.338 -2.399 1.00 0.00 WT5 H ATOM 54013 OH2 TIP3 9102 -2.195 -2.614 6.357 1.00 0.00 WT5 O ATOM 54014 H1 TIP3 9102 -35.362 19.068 0.799 1.00 0.00 WT5 H ATOM 54015 H2 TIP3 9102 28.232 17.407 -18.913 1.00 0.00 WT5 H ATOM 54016 OH2 TIP3 9116 -6.311 3.489 4.364 1.00 0.00 WT5 O ATOM 54017 H1 TIP3 9116 -1.392 13.131 2.368 1.00 0.00 WT5 H ATOM 54018 H2 TIP3 9116 -11.422 0.217 9.969 1.00 0.00 WT5 H ATOM 54019 OH2 TIP3 9118 2.043 -0.209 2.842 1.00 0.00 WT5 O ATOM 54020 H1 TIP3 9118 -3.821 10.666 0.159 1.00 0.00 WT5 H ATOM 54021 H2 TIP3 9118 11.844 -9.299 7.964 1.00 0.00 WT5 H ATOM 54022 OH2 TIP3 9124 0.765 -8.227 -0.023 1.00 0.00 WT5 O ATOM 54023 H1 TIP3 9124 -30.685 -1.763 -9.086 1.00 0.00 WT5 H ATOM 54024 H2 TIP3 9124 -15.835 19.507 20.791 1.00 0.00 WT5 H ATOM 54025 OH2 TIP3 9125 1.703 1.546 2.013 1.00 0.00 WT5 O ATOM 54026 H1 TIP3 9125 -1.293 0.190 9.809 1.00 0.00 WT5 H ATOM 54027 H2 TIP3 9125 10.149 0.205 3.115 1.00 0.00 WT5 H ATOM 54028 OH2 TIP3 9133 8.204 -3.127 -6.698 1.00 0.00 WT5 O ATOM 54029 H1 TIP3 9133 15.356 19.482 2.203 1.00 0.00 WT5 H ATOM 54030 H2 TIP3 9133 7.893 1.468 -4.528 1.00 0.00 WT5 H ATOM 54031 OH2 TIP3 9143 -2.059 -1.523 -0.127 1.00 0.00 WT5 O ATOM 54032 H1 TIP3 9143 0.672 2.559 -11.251 1.00 0.00 WT5 H ATOM 54033 H2 TIP3 9143 -4.045 -2.316 8.950 1.00 0.00 WT5 H ATOM 54034 OH2 TIP3 9144 2.109 -2.645 3.453 1.00 0.00 WT5 O ATOM 54035 H1 TIP3 9144 1.949 19.553 -20.334 1.00 0.00 WT5 H ATOM 54036 H2 TIP3 9144 25.004 3.589 1.250 1.00 0.00 WT5 H ATOM 54037 OH2 TIP3 9157 -0.713 -5.256 -1.690 1.00 0.00 WT5 O ATOM 54038 H1 TIP3 9157 -9.709 -6.312 -6.225 1.00 0.00 WT5 H ATOM 54039 H2 TIP3 9157 19.981 15.325 18.997 1.00 0.00 WT5 H ATOM 54040 OH2 TIP3 9158 3.608 -4.640 0.882 1.00 0.00 WT5 O ATOM 54041 H1 TIP3 9158 -24.912 -8.845 21.199 1.00 0.00 WT5 H ATOM 54042 H2 TIP3 9158 11.784 -7.525 -0.242 1.00 0.00 WT5 H ATOM 54043 OH2 TIP3 9162 0.097 4.973 -1.283 1.00 0.00 WT5 O ATOM 54044 H1 TIP3 9162 14.527 -20.043 12.668 1.00 0.00 WT5 H ATOM 54045 H2 TIP3 9162 2.243 0.357 0.219 1.00 0.00 WT5 H ATOM 54046 OH2 TIP3 9171 -3.644 1.238 -1.056 1.00 0.00 WT5 O ATOM 54047 H1 TIP3 9171 5.418 16.491 6.118 1.00 0.00 WT5 H ATOM 54048 H2 TIP3 9171 7.177 6.263 -24.480 1.00 0.00 WT5 H ATOM 54049 OH2 TIP3 9178 -2.490 -7.715 1.050 1.00 0.00 WT5 O ATOM 54050 H1 TIP3 9178 -9.499 -18.005 8.626 1.00 0.00 WT5 H ATOM 54051 H2 TIP3 9178 2.213 16.050 -20.579 1.00 0.00 WT5 H ATOM 54052 OH2 TIP3 9179 -7.813 -3.001 1.588 1.00 0.00 WT5 O ATOM 54053 H1 TIP3 9179 -2.227 -11.941 23.885 1.00 0.00 WT5 H ATOM 54054 H2 TIP3 9179 5.990 12.748 1.473 1.00 0.00 WT5 H ATOM 54055 OH2 TIP3 9182 2.576 7.467 -0.357 1.00 0.00 WT5 O ATOM 54056 H1 TIP3 9182 12.705 -10.901 -31.470 1.00 0.00 WT5 H ATOM 54057 H2 TIP3 9182 14.672 -3.300 -19.302 1.00 0.00 WT5 H ATOM 54058 OH2 TIP3 9183 5.550 0.974 -0.935 1.00 0.00 WT5 O ATOM 54059 H1 TIP3 9183 -10.746 -0.856 -8.923 1.00 0.00 WT5 H ATOM 54060 H2 TIP3 9183 -26.889 -3.057 -16.174 1.00 0.00 WT5 H ATOM 54061 OH2 TIP3 9184 3.438 2.143 8.604 1.00 0.00 WT5 O ATOM 54062 H1 TIP3 9184 -19.324 -2.377 15.769 1.00 0.00 WT5 H ATOM 54063 H2 TIP3 9184 12.932 -19.150 4.813 1.00 0.00 WT5 H ATOM 54064 OH2 TIP3 9188 -6.026 -3.876 9.502 1.00 0.00 WT5 O ATOM 54065 H1 TIP3 9188 -5.093 10.073 5.977 1.00 0.00 WT5 H ATOM 54066 H2 TIP3 9188 -2.549 10.877 14.052 1.00 0.00 WT5 H ATOM 54067 OH2 TIP3 9198 0.732 -4.508 -6.168 1.00 0.00 WT5 O ATOM 54068 H1 TIP3 9198 -11.472 17.369 17.716 1.00 0.00 WT5 H ATOM 54069 H2 TIP3 9198 10.003 -21.259 19.645 1.00 0.00 WT5 H ATOM 54070 OH2 TIP3 9211 -7.514 0.626 -1.227 1.00 0.00 WT5 O ATOM 54071 H1 TIP3 9211 3.236 12.870 9.242 1.00 0.00 WT5 H ATOM 54072 H2 TIP3 9211 5.371 -9.664 -12.976 1.00 0.00 WT5 H ATOM 54073 OH2 TIP3 9218 3.808 -3.753 -1.403 1.00 0.00 WT5 O ATOM 54074 H1 TIP3 9218 15.060 8.683 1.949 1.00 0.00 WT5 H ATOM 54075 H2 TIP3 9218 3.635 -12.710 -4.251 1.00 0.00 WT5 H ATOM 54076 OH2 TIP3 9223 -0.743 -0.266 -4.227 1.00 0.00 WT5 O ATOM 54077 H1 TIP3 9223 5.934 -8.205 18.839 1.00 0.00 WT5 H ATOM 54078 H2 TIP3 9223 26.428 -2.763 15.538 1.00 0.00 WT5 H ATOM 54079 OH2 TIP3 9227 -5.460 6.461 -2.920 1.00 0.00 WT5 O ATOM 54080 H1 TIP3 9227 7.351 30.091 -0.018 1.00 0.00 WT5 H ATOM 54081 H2 TIP3 9227 -6.668 -14.559 2.505 1.00 0.00 WT5 H ATOM 54082 OH2 TIP3 9250 1.148 -1.499 1.476 1.00 0.00 WT5 O ATOM 54083 H1 TIP3 9250 28.713 -17.452 -6.023 1.00 0.00 WT5 H ATOM 54084 H2 TIP3 9250 -9.344 -3.621 -0.315 1.00 0.00 WT5 H ATOM 54085 OH2 TIP3 9254 -10.515 -1.234 0.983 1.00 0.00 WT5 O ATOM 54086 H1 TIP3 9254 3.741 6.738 16.248 1.00 0.00 WT5 H ATOM 54087 H2 TIP3 9254 -8.354 1.595 4.284 1.00 0.00 WT5 H ATOM 54088 OH2 TIP3 2 -6.533 -0.462 5.514 1.00 0.00 WT6 O ATOM 54089 H1 TIP3 2 9.256 17.109 -17.899 1.00 0.00 WT6 H ATOM 54090 H2 TIP3 2 -2.852 -0.567 9.145 1.00 0.00 WT6 H ATOM 54091 OH2 TIP3 5 4.333 -1.875 -3.422 1.00 0.00 WT6 O ATOM 54092 H1 TIP3 5 7.176 12.018 -5.071 1.00 0.00 WT6 H ATOM 54093 H2 TIP3 5 -12.048 -4.793 13.744 1.00 0.00 WT6 H ATOM 54094 OH2 TIP3 40 -4.905 -3.935 -1.427 1.00 0.00 WT6 O ATOM 54095 H1 TIP3 40 -2.301 -7.353 -14.444 1.00 0.00 WT6 H ATOM 54096 H2 TIP3 40 -7.407 0.488 11.923 1.00 0.00 WT6 H ATOM 54097 OH2 TIP3 44 1.478 5.537 -0.201 1.00 0.00 WT6 O ATOM 54098 H1 TIP3 44 -8.983 12.679 11.626 1.00 0.00 WT6 H ATOM 54099 H2 TIP3 44 -10.596 -4.007 -8.345 1.00 0.00 WT6 H ATOM 54100 OH2 TIP3 48 4.760 -1.781 4.267 1.00 0.00 WT6 O ATOM 54101 H1 TIP3 48 2.796 7.624 24.947 1.00 0.00 WT6 H ATOM 54102 H2 TIP3 48 25.092 -9.950 6.683 1.00 0.00 WT6 H ATOM 54103 OH2 TIP3 65 -6.419 4.018 3.902 1.00 0.00 WT6 O ATOM 54104 H1 TIP3 65 -15.120 1.830 -6.097 1.00 0.00 WT6 H ATOM 54105 H2 TIP3 65 -19.240 10.477 8.195 1.00 0.00 WT6 H ATOM 54106 OH2 TIP3 67 -0.366 9.082 -1.840 1.00 0.00 WT6 O ATOM 54107 H1 TIP3 67 -0.676 15.529 5.071 1.00 0.00 WT6 H ATOM 54108 H2 TIP3 67 -8.525 -3.484 -4.908 1.00 0.00 WT6 H ATOM 54109 OH2 TIP3 87 -6.219 -2.424 -2.750 1.00 0.00 WT6 O ATOM 54110 H1 TIP3 87 -21.107 41.741 -21.370 1.00 0.00 WT6 H ATOM 54111 H2 TIP3 87 -10.344 0.986 25.323 1.00 0.00 WT6 H ATOM 54112 OH2 TIP3 113 2.296 1.117 -0.214 1.00 0.00 WT6 O ATOM 54113 H1 TIP3 113 -9.807 -6.770 -15.027 1.00 0.00 WT6 H ATOM 54114 H2 TIP3 113 -10.158 -12.523 13.030 1.00 0.00 WT6 H ATOM 54115 OH2 TIP3 149 -7.364 -0.808 -4.925 1.00 0.00 WT6 O ATOM 54116 H1 TIP3 149 1.764 -11.766 -0.801 1.00 0.00 WT6 H ATOM 54117 H2 TIP3 149 -17.713 -2.444 0.490 1.00 0.00 WT6 H ATOM 54118 OH2 TIP3 150 3.173 -4.581 4.597 1.00 0.00 WT6 O ATOM 54119 H1 TIP3 150 14.875 -8.674 0.411 1.00 0.00 WT6 H ATOM 54120 H2 TIP3 150 11.362 6.501 8.641 1.00 0.00 WT6 H ATOM 54121 OH2 TIP3 167 6.299 1.220 0.851 1.00 0.00 WT6 O ATOM 54122 H1 TIP3 167 28.237 -5.168 -8.488 1.00 0.00 WT6 H ATOM 54123 H2 TIP3 167 16.600 -1.825 -8.921 1.00 0.00 WT6 H ATOM 54124 OH2 TIP3 174 4.190 -0.817 2.781 1.00 0.00 WT6 O ATOM 54125 H1 TIP3 174 7.009 -2.586 5.136 1.00 0.00 WT6 H ATOM 54126 H2 TIP3 174 9.563 -0.992 1.656 1.00 0.00 WT6 H ATOM 54127 OH2 TIP3 175 -3.989 3.094 1.239 1.00 0.00 WT6 O ATOM 54128 H1 TIP3 175 -19.877 -6.551 -3.818 1.00 0.00 WT6 H ATOM 54129 H2 TIP3 175 -6.971 16.318 -13.380 1.00 0.00 WT6 H ATOM 54130 OH2 TIP3 178 6.722 0.231 1.124 1.00 0.00 WT6 O ATOM 54131 H1 TIP3 178 13.406 -4.462 4.762 1.00 0.00 WT6 H ATOM 54132 H2 TIP3 178 12.904 10.548 -7.541 1.00 0.00 WT6 H ATOM 54133 OH2 TIP3 189 0.996 0.529 0.501 1.00 0.00 WT6 O ATOM 54134 H1 TIP3 189 15.931 -15.889 -7.184 1.00 0.00 WT6 H ATOM 54135 H2 TIP3 189 -6.354 -11.893 9.903 1.00 0.00 WT6 H ATOM 54136 OH2 TIP3 191 -2.019 -1.544 -0.976 1.00 0.00 WT6 O ATOM 54137 H1 TIP3 191 -31.085 -4.399 19.082 1.00 0.00 WT6 H ATOM 54138 H2 TIP3 191 11.291 -4.475 -9.157 1.00 0.00 WT6 H ATOM 54139 OH2 TIP3 194 -4.608 -2.754 -3.534 1.00 0.00 WT6 O ATOM 54140 H1 TIP3 194 -4.516 -13.495 3.925 1.00 0.00 WT6 H ATOM 54141 H2 TIP3 194 -4.213 7.315 -12.701 1.00 0.00 WT6 H ATOM 54142 OH2 TIP3 195 -5.866 -6.572 10.056 1.00 0.00 WT6 O ATOM 54143 H1 TIP3 195 9.964 -20.845 6.193 1.00 0.00 WT6 H ATOM 54144 H2 TIP3 195 -12.840 2.702 1.701 1.00 0.00 WT6 H ATOM 54145 OH2 TIP3 196 -2.329 -5.627 0.276 1.00 0.00 WT6 O ATOM 54146 H1 TIP3 196 -12.112 -3.704 -6.979 1.00 0.00 WT6 H ATOM 54147 H2 TIP3 196 0.527 -0.392 6.336 1.00 0.00 WT6 H ATOM 54148 OH2 TIP3 237 0.924 1.113 -5.528 1.00 0.00 WT6 O ATOM 54149 H1 TIP3 237 20.048 6.320 9.240 1.00 0.00 WT6 H ATOM 54150 H2 TIP3 237 16.258 12.773 -9.342 1.00 0.00 WT6 H ATOM 54151 OH2 TIP3 303 -10.544 2.106 1.801 1.00 0.00 WT6 O ATOM 54152 H1 TIP3 303 -0.271 -6.863 7.439 1.00 0.00 WT6 H ATOM 54153 H2 TIP3 303 -12.940 -8.855 17.039 1.00 0.00 WT6 H ATOM 54154 OH2 TIP3 338 1.638 -0.818 -2.889 1.00 0.00 WT6 O ATOM 54155 H1 TIP3 338 -0.692 -7.809 23.331 1.00 0.00 WT6 H ATOM 54156 H2 TIP3 338 -7.372 -27.270 -4.861 1.00 0.00 WT6 H ATOM 54157 OH2 TIP3 344 1.260 1.420 -2.637 1.00 0.00 WT6 O ATOM 54158 H1 TIP3 344 3.513 -1.243 8.075 1.00 0.00 WT6 H ATOM 54159 H2 TIP3 344 7.576 8.410 -1.102 1.00 0.00 WT6 H ATOM 54160 OH2 TIP3 384 5.744 -6.078 4.387 1.00 0.00 WT6 O ATOM 54161 H1 TIP3 384 -4.463 -19.194 -10.371 1.00 0.00 WT6 H ATOM 54162 H2 TIP3 384 24.224 5.107 3.307 1.00 0.00 WT6 H ATOM 54163 OH2 TIP3 401 -4.306 0.326 -4.289 1.00 0.00 WT6 O ATOM 54164 H1 TIP3 401 -5.067 -7.691 -3.729 1.00 0.00 WT6 H ATOM 54165 H2 TIP3 401 -3.898 -6.717 12.979 1.00 0.00 WT6 H ATOM 54166 OH2 TIP3 416 -2.942 -0.359 5.226 1.00 0.00 WT6 O ATOM 54167 H1 TIP3 416 -4.579 -11.489 0.483 1.00 0.00 WT6 H ATOM 54168 H2 TIP3 416 -4.157 8.778 16.055 1.00 0.00 WT6 H ATOM 54169 OH2 TIP3 425 3.807 -1.033 -7.517 1.00 0.00 WT6 O ATOM 54170 H1 TIP3 425 -0.346 -15.744 -5.019 1.00 0.00 WT6 H ATOM 54171 H2 TIP3 425 0.614 8.608 -3.529 1.00 0.00 WT6 H ATOM 54172 OH2 TIP3 460 -4.411 -7.814 0.155 1.00 0.00 WT6 O ATOM 54173 H1 TIP3 460 14.999 -25.322 10.252 1.00 0.00 WT6 H ATOM 54174 H2 TIP3 460 -3.568 -10.833 -6.656 1.00 0.00 WT6 H ATOM 54175 OH2 TIP3 470 6.433 1.445 -1.819 1.00 0.00 WT6 O ATOM 54176 H1 TIP3 470 -12.386 -3.016 -5.773 1.00 0.00 WT6 H ATOM 54177 H2 TIP3 470 13.869 -13.191 2.952 1.00 0.00 WT6 H ATOM 54178 OH2 TIP3 472 -8.032 4.570 0.592 1.00 0.00 WT6 O ATOM 54179 H1 TIP3 472 -4.043 -2.279 9.467 1.00 0.00 WT6 H ATOM 54180 H2 TIP3 472 -7.241 -24.501 -12.799 1.00 0.00 WT6 H ATOM 54181 OH2 TIP3 485 -0.664 1.554 1.508 1.00 0.00 WT6 O ATOM 54182 H1 TIP3 485 -19.531 -15.032 -19.013 1.00 0.00 WT6 H ATOM 54183 H2 TIP3 485 7.046 11.698 18.427 1.00 0.00 WT6 H ATOM 54184 OH2 TIP3 486 0.115 -5.075 -1.458 1.00 0.00 WT6 O ATOM 54185 H1 TIP3 486 -1.750 9.349 -14.243 1.00 0.00 WT6 H ATOM 54186 H2 TIP3 486 -2.858 5.653 -21.254 1.00 0.00 WT6 H ATOM 54187 OH2 TIP3 489 -2.064 -2.243 -0.498 1.00 0.00 WT6 O ATOM 54188 H1 TIP3 489 -8.987 -5.047 -12.667 1.00 0.00 WT6 H ATOM 54189 H2 TIP3 489 5.846 1.200 -3.957 1.00 0.00 WT6 H ATOM 54190 OH2 TIP3 503 -3.339 0.800 0.370 1.00 0.00 WT6 O ATOM 54191 H1 TIP3 503 19.517 -2.907 -5.414 1.00 0.00 WT6 H ATOM 54192 H2 TIP3 503 -1.120 4.917 27.073 1.00 0.00 WT6 H ATOM 54193 OH2 TIP3 506 -9.756 7.865 1.043 1.00 0.00 WT6 O ATOM 54194 H1 TIP3 506 -34.103 5.780 -0.047 1.00 0.00 WT6 H ATOM 54195 H2 TIP3 506 2.526 3.285 3.826 1.00 0.00 WT6 H ATOM 54196 OH2 TIP3 509 -0.153 -0.552 -6.072 1.00 0.00 WT6 O ATOM 54197 H1 TIP3 509 -23.760 -3.283 -25.678 1.00 0.00 WT6 H ATOM 54198 H2 TIP3 509 -11.706 10.277 18.994 1.00 0.00 WT6 H ATOM 54199 OH2 TIP3 511 -1.146 9.256 -4.328 1.00 0.00 WT6 O ATOM 54200 H1 TIP3 511 0.677 3.394 -11.767 1.00 0.00 WT6 H ATOM 54201 H2 TIP3 511 -6.000 3.154 -9.346 1.00 0.00 WT6 H ATOM 54202 OH2 TIP3 548 -5.577 -5.084 -0.097 1.00 0.00 WT6 O ATOM 54203 H1 TIP3 548 -1.208 7.787 25.915 1.00 0.00 WT6 H ATOM 54204 H2 TIP3 548 -13.252 -21.597 28.020 1.00 0.00 WT6 H ATOM 54205 OH2 TIP3 550 -3.764 2.083 2.145 1.00 0.00 WT6 O ATOM 54206 H1 TIP3 550 -14.045 9.718 -12.152 1.00 0.00 WT6 H ATOM 54207 H2 TIP3 550 -13.326 -17.277 2.381 1.00 0.00 WT6 H ATOM 54208 OH2 TIP3 551 1.194 -0.878 -2.537 1.00 0.00 WT6 O ATOM 54209 H1 TIP3 551 -10.770 3.040 -15.765 1.00 0.00 WT6 H ATOM 54210 H2 TIP3 551 -18.379 2.432 -3.383 1.00 0.00 WT6 H ATOM 54211 OH2 TIP3 562 4.059 -1.060 2.090 1.00 0.00 WT6 O ATOM 54212 H1 TIP3 562 -4.565 -10.465 -18.321 1.00 0.00 WT6 H ATOM 54213 H2 TIP3 562 5.026 -2.916 -5.741 1.00 0.00 WT6 H ATOM 54214 OH2 TIP3 570 1.631 -0.264 1.268 1.00 0.00 WT6 O ATOM 54215 H1 TIP3 570 0.576 -3.450 1.929 1.00 0.00 WT6 H ATOM 54216 H2 TIP3 570 16.211 -41.069 -22.596 1.00 0.00 WT6 H ATOM 54217 OH2 TIP3 573 -3.517 6.376 0.342 1.00 0.00 WT6 O ATOM 54218 H1 TIP3 573 -14.786 -5.819 15.786 1.00 0.00 WT6 H ATOM 54219 H2 TIP3 573 -9.249 0.029 -12.587 1.00 0.00 WT6 H ATOM 54220 OH2 TIP3 575 -2.248 3.289 4.844 1.00 0.00 WT6 O ATOM 54221 H1 TIP3 575 9.708 5.728 -8.861 1.00 0.00 WT6 H ATOM 54222 H2 TIP3 575 0.434 9.440 18.844 1.00 0.00 WT6 H ATOM 54223 OH2 TIP3 584 -5.118 -6.731 2.606 1.00 0.00 WT6 O ATOM 54224 H1 TIP3 584 -2.361 -1.331 2.965 1.00 0.00 WT6 H ATOM 54225 H2 TIP3 584 -22.440 -3.634 -0.331 1.00 0.00 WT6 H ATOM 54226 OH2 TIP3 591 4.870 -1.051 -2.562 1.00 0.00 WT6 O ATOM 54227 H1 TIP3 591 8.747 -0.731 -4.621 1.00 0.00 WT6 H ATOM 54228 H2 TIP3 591 1.747 1.646 -3.548 1.00 0.00 WT6 H ATOM 54229 OH2 TIP3 593 -2.462 -0.815 -2.359 1.00 0.00 WT6 O ATOM 54230 H1 TIP3 593 23.327 -7.163 -18.905 1.00 0.00 WT6 H ATOM 54231 H2 TIP3 593 16.092 11.018 3.142 1.00 0.00 WT6 H ATOM 54232 OH2 TIP3 594 3.255 1.122 -5.782 1.00 0.00 WT6 O ATOM 54233 H1 TIP3 594 -12.106 15.763 -20.209 1.00 0.00 WT6 H ATOM 54234 H2 TIP3 594 15.297 -16.982 -16.981 1.00 0.00 WT6 H ATOM 54235 OH2 TIP3 616 -1.193 -5.760 7.186 1.00 0.00 WT6 O ATOM 54236 H1 TIP3 616 -4.359 -7.662 -8.151 1.00 0.00 WT6 H ATOM 54237 H2 TIP3 616 -1.118 -22.884 -10.564 1.00 0.00 WT6 H ATOM 54238 OH2 TIP3 638 -3.763 5.649 -0.298 1.00 0.00 WT6 O ATOM 54239 H1 TIP3 638 -5.034 14.855 3.433 1.00 0.00 WT6 H ATOM 54240 H2 TIP3 638 -18.702 20.004 8.336 1.00 0.00 WT6 H ATOM 54241 OH2 TIP3 677 8.726 3.033 -0.055 1.00 0.00 WT6 O ATOM 54242 H1 TIP3 677 7.479 -17.404 -5.788 1.00 0.00 WT6 H ATOM 54243 H2 TIP3 677 -6.546 -27.211 10.226 1.00 0.00 WT6 H ATOM 54244 OH2 TIP3 715 1.715 0.062 0.007 1.00 0.00 WT6 O ATOM 54245 H1 TIP3 715 22.561 16.440 -4.823 1.00 0.00 WT6 H ATOM 54246 H2 TIP3 715 -7.827 -0.074 13.981 1.00 0.00 WT6 H ATOM 54247 OH2 TIP3 717 -5.662 4.263 4.155 1.00 0.00 WT6 O ATOM 54248 H1 TIP3 717 -15.686 16.981 -2.937 1.00 0.00 WT6 H ATOM 54249 H2 TIP3 717 -2.776 11.745 9.931 1.00 0.00 WT6 H ATOM 54250 OH2 TIP3 721 2.742 2.971 5.348 1.00 0.00 WT6 O ATOM 54251 H1 TIP3 721 10.076 -10.406 9.090 1.00 0.00 WT6 H ATOM 54252 H2 TIP3 721 -19.500 14.051 -7.959 1.00 0.00 WT6 H ATOM 54253 OH2 TIP3 738 3.165 1.815 2.927 1.00 0.00 WT6 O ATOM 54254 H1 TIP3 738 5.670 16.863 -5.171 1.00 0.00 WT6 H ATOM 54255 H2 TIP3 738 11.509 7.206 -6.358 1.00 0.00 WT6 H ATOM 54256 OH2 TIP3 746 0.394 6.578 4.354 1.00 0.00 WT6 O ATOM 54257 H1 TIP3 746 2.372 -2.995 -10.426 1.00 0.00 WT6 H ATOM 54258 H2 TIP3 746 15.314 0.296 12.992 1.00 0.00 WT6 H ATOM 54259 OH2 TIP3 766 1.964 -4.797 4.251 1.00 0.00 WT6 O ATOM 54260 H1 TIP3 766 9.065 -20.634 -4.164 1.00 0.00 WT6 H ATOM 54261 H2 TIP3 766 8.461 9.407 23.469 1.00 0.00 WT6 H ATOM 54262 OH2 TIP3 778 1.735 -0.883 -1.201 1.00 0.00 WT6 O ATOM 54263 H1 TIP3 778 -0.802 -4.752 6.996 1.00 0.00 WT6 H ATOM 54264 H2 TIP3 778 10.805 15.788 -26.819 1.00 0.00 WT6 H ATOM 54265 OH2 TIP3 779 -0.170 6.258 0.076 1.00 0.00 WT6 O ATOM 54266 H1 TIP3 779 -3.645 17.040 -27.626 1.00 0.00 WT6 H ATOM 54267 H2 TIP3 779 30.173 1.592 -6.724 1.00 0.00 WT6 H ATOM 54268 OH2 TIP3 807 -6.418 -3.168 -1.746 1.00 0.00 WT6 O ATOM 54269 H1 TIP3 807 7.199 15.316 -13.957 1.00 0.00 WT6 H ATOM 54270 H2 TIP3 807 -15.097 6.449 22.760 1.00 0.00 WT6 H ATOM 54271 OH2 TIP3 822 -0.266 4.034 1.533 1.00 0.00 WT6 O ATOM 54272 H1 TIP3 822 5.201 16.040 -17.684 1.00 0.00 WT6 H ATOM 54273 H2 TIP3 822 -4.008 9.621 28.344 1.00 0.00 WT6 H ATOM 54274 OH2 TIP3 824 -5.298 -1.460 -2.908 1.00 0.00 WT6 O ATOM 54275 H1 TIP3 824 8.707 -12.638 0.311 1.00 0.00 WT6 H ATOM 54276 H2 TIP3 824 1.818 -14.992 -0.428 1.00 0.00 WT6 H ATOM 54277 OH2 TIP3 843 -8.905 2.819 4.056 1.00 0.00 WT6 O ATOM 54278 H1 TIP3 843 2.527 -12.427 -2.562 1.00 0.00 WT6 H ATOM 54279 H2 TIP3 843 11.740 -8.920 -5.868 1.00 0.00 WT6 H ATOM 54280 OH2 TIP3 846 -0.127 -2.441 5.572 1.00 0.00 WT6 O ATOM 54281 H1 TIP3 846 0.586 -1.563 -12.075 1.00 0.00 WT6 H ATOM 54282 H2 TIP3 846 4.344 -7.716 19.593 1.00 0.00 WT6 H ATOM 54283 OH2 TIP3 892 -4.457 2.744 0.395 1.00 0.00 WT6 O ATOM 54284 H1 TIP3 892 8.459 10.658 2.169 1.00 0.00 WT6 H ATOM 54285 H2 TIP3 892 9.044 8.085 3.130 1.00 0.00 WT6 H ATOM 54286 OH2 TIP3 908 -1.749 -1.582 -1.530 1.00 0.00 WT6 O ATOM 54287 H1 TIP3 908 1.121 -7.684 7.155 1.00 0.00 WT6 H ATOM 54288 H2 TIP3 908 -23.045 13.583 -13.552 1.00 0.00 WT6 H ATOM 54289 OH2 TIP3 928 -6.150 0.874 1.904 1.00 0.00 WT6 O ATOM 54290 H1 TIP3 928 -1.207 15.103 -7.361 1.00 0.00 WT6 H ATOM 54291 H2 TIP3 928 -5.780 6.042 3.331 1.00 0.00 WT6 H ATOM 54292 OH2 TIP3 930 -0.734 7.206 1.462 1.00 0.00 WT6 O ATOM 54293 H1 TIP3 930 5.448 -5.959 -16.520 1.00 0.00 WT6 H ATOM 54294 H2 TIP3 930 -4.873 4.262 23.462 1.00 0.00 WT6 H ATOM 54295 OH2 TIP3 969 1.917 1.470 2.265 1.00 0.00 WT6 O ATOM 54296 H1 TIP3 969 5.714 -3.439 2.756 1.00 0.00 WT6 H ATOM 54297 H2 TIP3 969 13.335 -17.774 -13.782 1.00 0.00 WT6 H ATOM 54298 OH2 TIP3 987 -4.044 -1.991 1.138 1.00 0.00 WT6 O ATOM 54299 H1 TIP3 987 -14.882 7.103 5.075 1.00 0.00 WT6 H ATOM 54300 H2 TIP3 987 2.503 4.231 -11.249 1.00 0.00 WT6 H ATOM 54301 OH2 TIP3 1013 -2.210 0.640 -4.749 1.00 0.00 WT6 O ATOM 54302 H1 TIP3 1013 -14.044 -8.184 -16.145 1.00 0.00 WT6 H ATOM 54303 H2 TIP3 1013 5.140 -23.823 24.418 1.00 0.00 WT6 H ATOM 54304 OH2 TIP3 1018 1.593 0.852 -2.586 1.00 0.00 WT6 O ATOM 54305 H1 TIP3 1018 3.937 -2.350 -5.729 1.00 0.00 WT6 H ATOM 54306 H2 TIP3 1018 -2.721 3.436 -6.105 1.00 0.00 WT6 H ATOM 54307 OH2 TIP3 1076 -0.189 0.746 0.736 1.00 0.00 WT6 O ATOM 54308 H1 TIP3 1076 6.020 13.615 -12.865 1.00 0.00 WT6 H ATOM 54309 H2 TIP3 1076 11.034 2.838 -8.444 1.00 0.00 WT6 H ATOM 54310 OH2 TIP3 1077 -0.033 4.742 2.931 1.00 0.00 WT6 O ATOM 54311 H1 TIP3 1077 -2.532 12.694 -11.552 1.00 0.00 WT6 H ATOM 54312 H2 TIP3 1077 7.229 -5.133 -1.021 1.00 0.00 WT6 H ATOM 54313 OH2 TIP3 1098 -5.954 -2.937 -0.838 1.00 0.00 WT6 O ATOM 54314 H1 TIP3 1098 15.578 18.172 15.806 1.00 0.00 WT6 H ATOM 54315 H2 TIP3 1098 -9.126 0.121 3.733 1.00 0.00 WT6 H ATOM 54316 OH2 TIP3 1122 1.403 -0.129 5.113 1.00 0.00 WT6 O ATOM 54317 H1 TIP3 1122 31.777 -11.995 -12.128 1.00 0.00 WT6 H ATOM 54318 H2 TIP3 1122 -17.144 -4.872 -20.695 1.00 0.00 WT6 H ATOM 54319 OH2 TIP3 1138 0.313 4.017 -4.347 1.00 0.00 WT6 O ATOM 54320 H1 TIP3 1138 -6.654 36.984 -17.225 1.00 0.00 WT6 H ATOM 54321 H2 TIP3 1138 2.652 -10.816 2.092 1.00 0.00 WT6 H ATOM 54322 OH2 TIP3 1163 0.626 -3.898 4.633 1.00 0.00 WT6 O ATOM 54323 H1 TIP3 1163 -5.579 -21.642 12.123 1.00 0.00 WT6 H ATOM 54324 H2 TIP3 1163 -13.361 -8.568 6.989 1.00 0.00 WT6 H ATOM 54325 OH2 TIP3 1240 1.104 2.748 1.264 1.00 0.00 WT6 O ATOM 54326 H1 TIP3 1240 26.123 26.729 15.183 1.00 0.00 WT6 H ATOM 54327 H2 TIP3 1240 -7.137 13.335 -16.241 1.00 0.00 WT6 H ATOM 54328 OH2 TIP3 1258 3.005 0.801 1.327 1.00 0.00 WT6 O ATOM 54329 H1 TIP3 1258 -0.410 -6.329 7.291 1.00 0.00 WT6 H ATOM 54330 H2 TIP3 1258 -7.397 -9.447 7.269 1.00 0.00 WT6 H ATOM 54331 OH2 TIP3 1281 2.565 5.421 -3.462 1.00 0.00 WT6 O ATOM 54332 H1 TIP3 1281 3.935 8.721 -5.422 1.00 0.00 WT6 H ATOM 54333 H2 TIP3 1281 -10.176 -2.428 -0.893 1.00 0.00 WT6 H ATOM 54334 OH2 TIP3 1285 0.829 -1.000 2.778 1.00 0.00 WT6 O ATOM 54335 H1 TIP3 1285 4.756 -6.581 -3.504 1.00 0.00 WT6 H ATOM 54336 H2 TIP3 1285 -2.637 -1.717 7.771 1.00 0.00 WT6 H ATOM 54337 OH2 TIP3 1301 2.606 -5.906 1.888 1.00 0.00 WT6 O ATOM 54338 H1 TIP3 1301 -9.001 -18.453 -6.425 1.00 0.00 WT6 H ATOM 54339 H2 TIP3 1301 -1.459 12.053 -0.270 1.00 0.00 WT6 H ATOM 54340 OH2 TIP3 1303 1.815 5.821 -5.598 1.00 0.00 WT6 O ATOM 54341 H1 TIP3 1303 12.563 2.053 -3.382 1.00 0.00 WT6 H ATOM 54342 H2 TIP3 1303 6.494 9.876 -2.129 1.00 0.00 WT6 H ATOM 54343 OH2 TIP3 1345 -1.420 -1.909 -1.238 1.00 0.00 WT6 O ATOM 54344 H1 TIP3 1345 5.172 -9.973 0.796 1.00 0.00 WT6 H ATOM 54345 H2 TIP3 1345 5.732 -3.948 -3.022 1.00 0.00 WT6 H ATOM 54346 OH2 TIP3 1354 -1.770 -4.809 2.496 1.00 0.00 WT6 O ATOM 54347 H1 TIP3 1354 4.649 2.851 16.649 1.00 0.00 WT6 H ATOM 54348 H2 TIP3 1354 0.251 -10.732 12.300 1.00 0.00 WT6 H ATOM 54349 OH2 TIP3 1370 -2.428 -1.519 0.430 1.00 0.00 WT6 O ATOM 54350 H1 TIP3 1370 -6.651 -17.221 13.808 1.00 0.00 WT6 H ATOM 54351 H2 TIP3 1370 -13.124 6.232 -18.135 1.00 0.00 WT6 H ATOM 54352 OH2 TIP3 1373 -6.898 6.746 -1.204 1.00 0.00 WT6 O ATOM 54353 H1 TIP3 1373 0.942 16.259 2.636 1.00 0.00 WT6 H ATOM 54354 H2 TIP3 1373 -2.997 -18.816 -9.573 1.00 0.00 WT6 H ATOM 54355 OH2 TIP3 1387 1.992 -2.567 -2.829 1.00 0.00 WT6 O ATOM 54356 H1 TIP3 1387 -5.276 6.670 -13.596 1.00 0.00 WT6 H ATOM 54357 H2 TIP3 1387 -5.353 11.525 -10.661 1.00 0.00 WT6 H ATOM 54358 OH2 TIP3 1408 0.253 10.294 -0.588 1.00 0.00 WT6 O ATOM 54359 H1 TIP3 1408 3.234 0.352 -4.622 1.00 0.00 WT6 H ATOM 54360 H2 TIP3 1408 -9.770 15.042 -28.076 1.00 0.00 WT6 H ATOM 54361 OH2 TIP3 1414 4.073 1.588 1.439 1.00 0.00 WT6 O ATOM 54362 H1 TIP3 1414 15.807 -8.741 -7.357 1.00 0.00 WT6 H ATOM 54363 H2 TIP3 1414 17.107 -2.334 29.357 1.00 0.00 WT6 H ATOM 54364 OH2 TIP3 1429 0.630 1.941 0.235 1.00 0.00 WT6 O ATOM 54365 H1 TIP3 1429 -2.590 9.288 4.593 1.00 0.00 WT6 H ATOM 54366 H2 TIP3 1429 3.837 -1.466 1.080 1.00 0.00 WT6 H ATOM 54367 OH2 TIP3 1433 -1.038 -3.095 2.264 1.00 0.00 WT6 O ATOM 54368 H1 TIP3 1433 7.838 7.026 10.891 1.00 0.00 WT6 H ATOM 54369 H2 TIP3 1433 8.713 7.442 4.431 1.00 0.00 WT6 H ATOM 54370 OH2 TIP3 1440 0.989 1.305 1.028 1.00 0.00 WT6 O ATOM 54371 H1 TIP3 1440 -0.387 0.592 -3.526 1.00 0.00 WT6 H ATOM 54372 H2 TIP3 1440 20.935 -14.149 -9.814 1.00 0.00 WT6 H ATOM 54373 OH2 TIP3 1451 2.075 -5.851 1.413 1.00 0.00 WT6 O ATOM 54374 H1 TIP3 1451 4.678 -7.625 6.320 1.00 0.00 WT6 H ATOM 54375 H2 TIP3 1451 -6.012 1.705 -13.826 1.00 0.00 WT6 H ATOM 54376 OH2 TIP3 1466 -0.327 3.011 -4.853 1.00 0.00 WT6 O ATOM 54377 H1 TIP3 1466 17.582 23.369 6.226 1.00 0.00 WT6 H ATOM 54378 H2 TIP3 1466 10.363 -1.713 -0.966 1.00 0.00 WT6 H ATOM 54379 OH2 TIP3 1477 0.614 -2.232 -1.446 1.00 0.00 WT6 O ATOM 54380 H1 TIP3 1477 -1.043 -3.999 -10.275 1.00 0.00 WT6 H ATOM 54381 H2 TIP3 1477 2.125 9.131 -3.518 1.00 0.00 WT6 H ATOM 54382 OH2 TIP3 1480 -0.424 1.412 8.012 1.00 0.00 WT6 O ATOM 54383 H1 TIP3 1480 -4.476 -4.604 -3.544 1.00 0.00 WT6 H ATOM 54384 H2 TIP3 1480 13.237 -10.547 12.521 1.00 0.00 WT6 H ATOM 54385 OH2 TIP3 1492 11.426 2.838 -2.022 1.00 0.00 WT6 O ATOM 54386 H1 TIP3 1492 5.624 35.690 13.282 1.00 0.00 WT6 H ATOM 54387 H2 TIP3 1492 13.301 -15.085 -3.750 1.00 0.00 WT6 H ATOM 54388 OH2 TIP3 1573 -1.939 5.052 1.112 1.00 0.00 WT6 O ATOM 54389 H1 TIP3 1573 -13.785 8.396 3.911 1.00 0.00 WT6 H ATOM 54390 H2 TIP3 1573 9.052 3.693 7.207 1.00 0.00 WT6 H ATOM 54391 OH2 TIP3 1599 0.167 -3.352 2.904 1.00 0.00 WT6 O ATOM 54392 H1 TIP3 1599 4.891 4.925 -1.051 1.00 0.00 WT6 H ATOM 54393 H2 TIP3 1599 15.722 14.589 2.143 1.00 0.00 WT6 H ATOM 54394 OH2 TIP3 1618 -0.546 3.664 -2.903 1.00 0.00 WT6 O ATOM 54395 H1 TIP3 1618 1.488 5.657 -11.299 1.00 0.00 WT6 H ATOM 54396 H2 TIP3 1618 -9.304 0.875 -7.641 1.00 0.00 WT6 H ATOM 54397 OH2 TIP3 1624 1.142 -5.898 -3.745 1.00 0.00 WT6 O ATOM 54398 H1 TIP3 1624 4.253 1.282 -4.895 1.00 0.00 WT6 H ATOM 54399 H2 TIP3 1624 5.115 5.596 -13.139 1.00 0.00 WT6 H ATOM 54400 OH2 TIP3 1625 9.408 -5.148 2.340 1.00 0.00 WT6 O ATOM 54401 H1 TIP3 1625 16.346 -1.936 11.984 1.00 0.00 WT6 H ATOM 54402 H2 TIP3 1625 14.773 -2.140 -0.593 1.00 0.00 WT6 H ATOM 54403 OH2 TIP3 1648 11.957 0.593 -2.555 1.00 0.00 WT6 O ATOM 54404 H1 TIP3 1648 11.073 -14.780 11.559 1.00 0.00 WT6 H ATOM 54405 H2 TIP3 1648 3.574 11.248 1.688 1.00 0.00 WT6 H ATOM 54406 OH2 TIP3 1656 2.493 2.144 -0.810 1.00 0.00 WT6 O ATOM 54407 H1 TIP3 1656 0.929 -1.498 -3.887 1.00 0.00 WT6 H ATOM 54408 H2 TIP3 1656 8.172 -1.446 0.861 1.00 0.00 WT6 H ATOM 54409 OH2 TIP3 1664 1.523 6.918 5.727 1.00 0.00 WT6 O ATOM 54410 H1 TIP3 1664 1.960 5.370 10.067 1.00 0.00 WT6 H ATOM 54411 H2 TIP3 1664 -0.945 16.620 -8.345 1.00 0.00 WT6 H ATOM 54412 OH2 TIP3 1691 -1.589 -0.806 2.756 1.00 0.00 WT6 O ATOM 54413 H1 TIP3 1691 0.800 -1.298 21.893 1.00 0.00 WT6 H ATOM 54414 H2 TIP3 1691 -4.769 5.106 -3.629 1.00 0.00 WT6 H ATOM 54415 OH2 TIP3 1706 4.339 -2.623 3.660 1.00 0.00 WT6 O ATOM 54416 H1 TIP3 1706 -9.834 5.742 -13.859 1.00 0.00 WT6 H ATOM 54417 H2 TIP3 1706 -7.518 -10.862 -5.696 1.00 0.00 WT6 H ATOM 54418 OH2 TIP3 1725 -2.274 5.141 -7.723 1.00 0.00 WT6 O ATOM 54419 H1 TIP3 1725 -7.518 -4.530 -25.104 1.00 0.00 WT6 H ATOM 54420 H2 TIP3 1725 -2.030 -12.965 -5.582 1.00 0.00 WT6 H ATOM 54421 OH2 TIP3 1733 -1.815 -2.687 2.838 1.00 0.00 WT6 O ATOM 54422 H1 TIP3 1733 5.711 1.926 3.415 1.00 0.00 WT6 H ATOM 54423 H2 TIP3 1733 -0.632 -1.452 -3.791 1.00 0.00 WT6 H ATOM 54424 OH2 TIP3 1751 2.654 -4.667 -3.049 1.00 0.00 WT6 O ATOM 54425 H1 TIP3 1751 20.976 -1.976 -16.889 1.00 0.00 WT6 H ATOM 54426 H2 TIP3 1751 -14.210 -4.720 10.968 1.00 0.00 WT6 H ATOM 54427 OH2 TIP3 1769 0.774 4.332 -3.445 1.00 0.00 WT6 O ATOM 54428 H1 TIP3 1769 2.417 12.214 11.479 1.00 0.00 WT6 H ATOM 54429 H2 TIP3 1769 -22.504 22.942 -6.516 1.00 0.00 WT6 H ATOM 54430 OH2 TIP3 1771 3.381 -5.742 2.203 1.00 0.00 WT6 O ATOM 54431 H1 TIP3 1771 -6.281 12.828 4.287 1.00 0.00 WT6 H ATOM 54432 H2 TIP3 1771 20.410 -11.373 -6.577 1.00 0.00 WT6 H ATOM 54433 OH2 TIP3 1849 1.980 1.007 4.530 1.00 0.00 WT6 O ATOM 54434 H1 TIP3 1849 27.541 10.066 -27.279 1.00 0.00 WT6 H ATOM 54435 H2 TIP3 1849 5.628 -9.924 11.079 1.00 0.00 WT6 H ATOM 54436 OH2 TIP3 1853 -1.399 -0.932 -4.797 1.00 0.00 WT6 O ATOM 54437 H1 TIP3 1853 4.433 11.148 -2.785 1.00 0.00 WT6 H ATOM 54438 H2 TIP3 1853 -2.441 13.255 6.729 1.00 0.00 WT6 H ATOM 54439 OH2 TIP3 1892 -1.124 -3.352 3.367 1.00 0.00 WT6 O ATOM 54440 H1 TIP3 1892 -9.210 7.853 -14.542 1.00 0.00 WT6 H ATOM 54441 H2 TIP3 1892 2.283 6.488 -4.522 1.00 0.00 WT6 H ATOM 54442 OH2 TIP3 1897 -4.194 -5.802 2.310 1.00 0.00 WT6 O ATOM 54443 H1 TIP3 1897 1.819 7.775 -21.799 1.00 0.00 WT6 H ATOM 54444 H2 TIP3 1897 23.483 -12.347 -19.421 1.00 0.00 WT6 H ATOM 54445 OH2 TIP3 1918 -4.593 -2.414 -1.524 1.00 0.00 WT6 O ATOM 54446 H1 TIP3 1918 -5.535 1.343 3.257 1.00 0.00 WT6 H ATOM 54447 H2 TIP3 1918 -6.133 4.188 5.957 1.00 0.00 WT6 H ATOM 54448 OH2 TIP3 1978 2.666 -1.028 -6.588 1.00 0.00 WT6 O ATOM 54449 H1 TIP3 1978 -2.155 -4.662 -1.993 1.00 0.00 WT6 H ATOM 54450 H2 TIP3 1978 -1.262 -1.994 -12.161 1.00 0.00 WT6 H ATOM 54451 OH2 TIP3 2000 1.956 2.112 -2.162 1.00 0.00 WT6 O ATOM 54452 H1 TIP3 2000 -4.935 6.379 2.673 1.00 0.00 WT6 H ATOM 54453 H2 TIP3 2000 6.352 8.262 -17.713 1.00 0.00 WT6 H ATOM 54454 OH2 TIP3 2022 -8.067 9.814 -1.631 1.00 0.00 WT6 O ATOM 54455 H1 TIP3 2022 8.922 -7.881 9.339 1.00 0.00 WT6 H ATOM 54456 H2 TIP3 2022 2.379 1.644 -4.686 1.00 0.00 WT6 H ATOM 54457 OH2 TIP3 2083 1.802 -9.071 2.948 1.00 0.00 WT6 O ATOM 54458 H1 TIP3 2083 -4.319 -5.863 13.120 1.00 0.00 WT6 H ATOM 54459 H2 TIP3 2083 5.602 -8.287 -3.445 1.00 0.00 WT6 H ATOM 54460 OH2 TIP3 2085 2.993 -3.457 0.940 1.00 0.00 WT6 O ATOM 54461 H1 TIP3 2085 -6.247 17.283 37.336 1.00 0.00 WT6 H ATOM 54462 H2 TIP3 2085 13.852 25.504 8.696 1.00 0.00 WT6 H ATOM 54463 OH2 TIP3 2108 -4.964 3.033 2.158 1.00 0.00 WT6 O ATOM 54464 H1 TIP3 2108 11.219 -38.444 -19.461 1.00 0.00 WT6 H ATOM 54465 H2 TIP3 2108 -3.218 -8.186 -9.087 1.00 0.00 WT6 H ATOM 54466 OH2 TIP3 2150 1.230 -1.993 3.230 1.00 0.00 WT6 O ATOM 54467 H1 TIP3 2150 -12.002 -2.140 4.765 1.00 0.00 WT6 H ATOM 54468 H2 TIP3 2150 9.977 -10.434 10.592 1.00 0.00 WT6 H ATOM 54469 OH2 TIP3 2183 -0.438 6.935 2.454 1.00 0.00 WT6 O ATOM 54470 H1 TIP3 2183 -22.021 2.535 3.185 1.00 0.00 WT6 H ATOM 54471 H2 TIP3 2183 20.556 0.923 12.963 1.00 0.00 WT6 H ATOM 54472 OH2 TIP3 2190 -0.232 0.044 5.873 1.00 0.00 WT6 O ATOM 54473 H1 TIP3 2190 2.681 -17.969 -13.314 1.00 0.00 WT6 H ATOM 54474 H2 TIP3 2190 -2.927 -10.489 -2.319 1.00 0.00 WT6 H ATOM 54475 OH2 TIP3 2231 -1.002 7.576 -0.454 1.00 0.00 WT6 O ATOM 54476 H1 TIP3 2231 0.780 1.719 -5.887 1.00 0.00 WT6 H ATOM 54477 H2 TIP3 2231 12.536 12.117 23.094 1.00 0.00 WT6 H ATOM 54478 OH2 TIP3 2270 0.408 8.212 -7.596 1.00 0.00 WT6 O ATOM 54479 H1 TIP3 2270 -3.190 12.142 -4.083 1.00 0.00 WT6 H ATOM 54480 H2 TIP3 2270 -7.310 16.016 -17.194 1.00 0.00 WT6 H ATOM 54481 OH2 TIP3 2288 2.250 7.042 -2.763 1.00 0.00 WT6 O ATOM 54482 H1 TIP3 2288 17.762 9.629 -8.158 1.00 0.00 WT6 H ATOM 54483 H2 TIP3 2288 -8.368 9.241 -13.498 1.00 0.00 WT6 H ATOM 54484 OH2 TIP3 2290 0.766 0.298 -2.235 1.00 0.00 WT6 O ATOM 54485 H1 TIP3 2290 2.682 -1.571 -1.931 1.00 0.00 WT6 H ATOM 54486 H2 TIP3 2290 0.352 -1.378 -4.929 1.00 0.00 WT6 H ATOM 54487 OH2 TIP3 2293 -0.460 2.236 1.174 1.00 0.00 WT6 O ATOM 54488 H1 TIP3 2293 11.500 -1.352 2.663 1.00 0.00 WT6 H ATOM 54489 H2 TIP3 2293 4.067 0.228 -2.899 1.00 0.00 WT6 H ATOM 54490 OH2 TIP3 2317 3.244 -0.481 5.951 1.00 0.00 WT6 O ATOM 54491 H1 TIP3 2317 14.296 -1.315 -2.083 1.00 0.00 WT6 H ATOM 54492 H2 TIP3 2317 14.591 31.592 11.419 1.00 0.00 WT6 H ATOM 54493 OH2 TIP3 2357 0.857 -3.400 -4.357 1.00 0.00 WT6 O ATOM 54494 H1 TIP3 2357 -1.817 3.006 -1.770 1.00 0.00 WT6 H ATOM 54495 H2 TIP3 2357 -1.365 16.788 14.100 1.00 0.00 WT6 H ATOM 54496 OH2 TIP3 2358 -5.862 -2.029 2.221 1.00 0.00 WT6 O ATOM 54497 H1 TIP3 2358 -18.558 -35.033 -11.198 1.00 0.00 WT6 H ATOM 54498 H2 TIP3 2358 -27.017 15.094 -21.019 1.00 0.00 WT6 H ATOM 54499 OH2 TIP3 2500 -4.365 5.447 5.577 1.00 0.00 WT6 O ATOM 54500 H1 TIP3 2500 -11.830 11.981 22.138 1.00 0.00 WT6 H ATOM 54501 H2 TIP3 2500 9.068 0.390 -2.480 1.00 0.00 WT6 H ATOM 54502 OH2 TIP3 2521 -2.039 2.746 0.693 1.00 0.00 WT6 O ATOM 54503 H1 TIP3 2521 5.188 0.161 5.621 1.00 0.00 WT6 H ATOM 54504 H2 TIP3 2521 17.502 29.799 -9.580 1.00 0.00 WT6 H ATOM 54505 OH2 TIP3 2524 -3.751 -2.520 -5.939 1.00 0.00 WT6 O ATOM 54506 H1 TIP3 2524 4.018 -10.953 -21.362 1.00 0.00 WT6 H ATOM 54507 H2 TIP3 2524 -16.123 9.167 -4.848 1.00 0.00 WT6 H ATOM 54508 OH2 TIP3 2525 4.855 0.404 1.865 1.00 0.00 WT6 O ATOM 54509 H1 TIP3 2525 1.205 7.767 -0.534 1.00 0.00 WT6 H ATOM 54510 H2 TIP3 2525 -1.460 -0.893 12.152 1.00 0.00 WT6 H ATOM 54511 OH2 TIP3 2570 -8.186 -2.510 -2.919 1.00 0.00 WT6 O ATOM 54512 H1 TIP3 2570 -14.448 10.067 2.844 1.00 0.00 WT6 H ATOM 54513 H2 TIP3 2570 -4.260 -9.782 5.123 1.00 0.00 WT6 H ATOM 54514 OH2 TIP3 2714 4.723 7.353 -0.699 1.00 0.00 WT6 O ATOM 54515 H1 TIP3 2714 14.456 24.656 16.165 1.00 0.00 WT6 H ATOM 54516 H2 TIP3 2714 3.395 -5.738 -13.676 1.00 0.00 WT6 H ATOM 54517 OH2 TIP3 2781 3.719 -1.625 -3.330 1.00 0.00 WT6 O ATOM 54518 H1 TIP3 2781 2.578 4.825 4.355 1.00 0.00 WT6 H ATOM 54519 H2 TIP3 2781 11.054 5.882 -5.713 1.00 0.00 WT6 H ATOM 54520 OH2 TIP3 2802 2.704 1.992 -5.517 1.00 0.00 WT6 O ATOM 54521 H1 TIP3 2802 21.666 13.331 8.279 1.00 0.00 WT6 H ATOM 54522 H2 TIP3 2802 -14.770 20.021 -8.584 1.00 0.00 WT6 H ATOM 54523 OH2 TIP3 3029 2.005 -2.459 5.794 1.00 0.00 WT6 O ATOM 54524 H1 TIP3 3029 -12.068 17.814 0.063 1.00 0.00 WT6 H ATOM 54525 H2 TIP3 3029 19.675 6.728 20.485 1.00 0.00 WT6 H ATOM 54526 OH2 TIP3 5421 4.460 4.228 -5.993 1.00 0.00 WT6 O ATOM 54527 H1 TIP3 5421 4.031 -1.824 1.701 1.00 0.00 WT6 H ATOM 54528 H2 TIP3 5421 17.274 9.736 12.412 1.00 0.00 WT6 H ATOM 54529 OH2 TIP3 6240 2.314 1.738 1.801 1.00 0.00 WT6 O ATOM 54530 H1 TIP3 6240 6.280 0.976 -8.069 1.00 0.00 WT6 H ATOM 54531 H2 TIP3 6240 3.986 1.331 -3.126 1.00 0.00 WT6 H ATOM 54532 OH2 TIP3 6350 -0.697 1.487 0.708 1.00 0.00 WT6 O ATOM 54533 H1 TIP3 6350 2.681 14.624 21.396 1.00 0.00 WT6 H ATOM 54534 H2 TIP3 6350 0.033 2.184 1.694 1.00 0.00 WT6 H ATOM 54535 OH2 TIP3 6671 1.009 5.221 2.369 1.00 0.00 WT6 O ATOM 54536 H1 TIP3 6671 -2.673 5.091 7.878 1.00 0.00 WT6 H ATOM 54537 H2 TIP3 6671 19.835 -1.115 -3.352 1.00 0.00 WT6 H ATOM 54538 OH2 TIP3 6980 3.714 -1.612 -2.084 1.00 0.00 WT6 O ATOM 54539 H1 TIP3 6980 -2.235 -38.516 -5.178 1.00 0.00 WT6 H ATOM 54540 H2 TIP3 6980 -0.026 3.603 -14.832 1.00 0.00 WT6 H ATOM 54541 OH2 TIP3 7563 -4.268 0.033 1.550 1.00 0.00 WT6 O ATOM 54542 H1 TIP3 7563 -7.832 -5.175 2.497 1.00 0.00 WT6 H ATOM 54543 H2 TIP3 7563 -5.641 -2.515 15.148 1.00 0.00 WT6 H ATOM 54544 OH2 TIP3 7583 1.189 -6.339 4.888 1.00 0.00 WT6 O ATOM 54545 H1 TIP3 7583 18.112 8.390 8.758 1.00 0.00 WT6 H ATOM 54546 H2 TIP3 7583 10.233 6.248 6.797 1.00 0.00 WT6 H ATOM 54547 OH2 TIP3 7603 -5.527 10.451 -2.761 1.00 0.00 WT6 O ATOM 54548 H1 TIP3 7603 -3.987 28.197 15.431 1.00 0.00 WT6 H ATOM 54549 H2 TIP3 7603 -11.443 7.163 -15.735 1.00 0.00 WT6 H ATOM 54550 OH2 TIP3 7607 5.157 1.639 -2.469 1.00 0.00 WT6 O ATOM 54551 H1 TIP3 7607 15.277 -1.419 9.149 1.00 0.00 WT6 H ATOM 54552 H2 TIP3 7607 -2.111 17.752 5.256 1.00 0.00 WT6 H ATOM 54553 OH2 TIP3 7630 -0.317 3.334 3.645 1.00 0.00 WT6 O ATOM 54554 H1 TIP3 7630 4.771 4.717 6.877 1.00 0.00 WT6 H ATOM 54555 H2 TIP3 7630 -1.102 -27.141 -1.466 1.00 0.00 WT6 H ATOM 54556 OH2 TIP3 7631 -3.342 -0.607 -2.659 1.00 0.00 WT6 O ATOM 54557 H1 TIP3 7631 13.646 14.546 1.171 1.00 0.00 WT6 H ATOM 54558 H2 TIP3 7631 -15.062 1.116 -16.088 1.00 0.00 WT6 H ATOM 54559 OH2 TIP3 7647 -3.276 2.184 -0.707 1.00 0.00 WT6 O ATOM 54560 H1 TIP3 7647 -17.517 9.886 0.986 1.00 0.00 WT6 H ATOM 54561 H2 TIP3 7647 -1.388 5.250 -3.760 1.00 0.00 WT6 H ATOM 54562 OH2 TIP3 7650 -6.181 -0.723 2.140 1.00 0.00 WT6 O ATOM 54563 H1 TIP3 7650 4.232 5.266 -2.207 1.00 0.00 WT6 H ATOM 54564 H2 TIP3 7650 6.799 18.726 1.246 1.00 0.00 WT6 H ATOM 54565 OH2 TIP3 7707 7.730 -4.845 0.015 1.00 0.00 WT6 O ATOM 54566 H1 TIP3 7707 -2.872 4.667 -29.192 1.00 0.00 WT6 H ATOM 54567 H2 TIP3 7707 0.700 13.119 -8.734 1.00 0.00 WT6 H ATOM 54568 OH2 TIP3 7748 5.166 1.302 -3.824 1.00 0.00 WT6 O ATOM 54569 H1 TIP3 7748 7.427 1.060 -8.287 1.00 0.00 WT6 H ATOM 54570 H2 TIP3 7748 7.980 -7.000 -7.224 1.00 0.00 WT6 H ATOM 54571 OH2 TIP3 7833 1.353 5.218 6.511 1.00 0.00 WT6 O ATOM 54572 H1 TIP3 7833 21.575 9.563 -19.097 1.00 0.00 WT6 H ATOM 54573 H2 TIP3 7833 14.962 9.477 -16.422 1.00 0.00 WT6 H ATOM 54574 OH2 TIP3 7944 -0.448 0.770 -2.885 1.00 0.00 WT6 O ATOM 54575 H1 TIP3 7944 -5.931 -10.934 5.876 1.00 0.00 WT6 H ATOM 54576 H2 TIP3 7944 -6.286 22.156 -19.265 1.00 0.00 WT6 H ATOM 54577 OH2 TIP3 7959 -1.550 -3.353 6.272 1.00 0.00 WT6 O ATOM 54578 H1 TIP3 7959 24.635 6.352 9.245 1.00 0.00 WT6 H ATOM 54579 H2 TIP3 7959 -13.250 -16.409 -19.317 1.00 0.00 WT6 H ATOM 54580 OH2 TIP3 7979 5.600 -1.533 0.375 1.00 0.00 WT6 O ATOM 54581 H1 TIP3 7979 -7.616 19.229 10.206 1.00 0.00 WT6 H ATOM 54582 H2 TIP3 7979 1.905 -5.562 7.662 1.00 0.00 WT6 H ATOM 54583 OH2 TIP3 7985 5.365 -8.176 0.185 1.00 0.00 WT6 O ATOM 54584 H1 TIP3 7985 -4.188 -6.465 -1.304 1.00 0.00 WT6 H ATOM 54585 H2 TIP3 7985 5.748 -4.448 6.251 1.00 0.00 WT6 H ATOM 54586 OH2 TIP3 8023 -4.809 6.571 4.580 1.00 0.00 WT6 O ATOM 54587 H1 TIP3 8023 -1.547 -1.331 19.450 1.00 0.00 WT6 H ATOM 54588 H2 TIP3 8023 -11.470 19.543 -22.487 1.00 0.00 WT6 H ATOM 54589 OH2 TIP3 8024 1.330 -0.336 11.514 1.00 0.00 WT6 O ATOM 54590 H1 TIP3 8024 -7.562 9.082 -0.254 1.00 0.00 WT6 H ATOM 54591 H2 TIP3 8024 -13.233 11.412 -3.639 1.00 0.00 WT6 H ATOM 54592 OH2 TIP3 8046 -4.574 1.072 -0.480 1.00 0.00 WT6 O ATOM 54593 H1 TIP3 8046 -7.151 12.495 1.166 1.00 0.00 WT6 H ATOM 54594 H2 TIP3 8046 0.602 1.331 -3.604 1.00 0.00 WT6 H ATOM 54595 OH2 TIP3 8064 2.553 4.363 -4.715 1.00 0.00 WT6 O ATOM 54596 H1 TIP3 8064 -11.793 -6.445 9.184 1.00 0.00 WT6 H ATOM 54597 H2 TIP3 8064 16.859 16.154 -21.620 1.00 0.00 WT6 H ATOM 54598 OH2 TIP3 8067 1.695 -2.557 3.718 1.00 0.00 WT6 O ATOM 54599 H1 TIP3 8067 22.815 -17.594 -11.735 1.00 0.00 WT6 H ATOM 54600 H2 TIP3 8067 -13.667 6.605 10.877 1.00 0.00 WT6 H ATOM 54601 OH2 TIP3 8068 8.300 1.299 0.411 1.00 0.00 WT6 O ATOM 54602 H1 TIP3 8068 12.864 10.414 6.089 1.00 0.00 WT6 H ATOM 54603 H2 TIP3 8068 18.613 6.302 5.739 1.00 0.00 WT6 H ATOM 54604 OH2 TIP3 8136 2.578 2.342 2.462 1.00 0.00 WT6 O ATOM 54605 H1 TIP3 8136 4.417 -15.342 -2.244 1.00 0.00 WT6 H ATOM 54606 H2 TIP3 8136 10.215 -5.241 3.632 1.00 0.00 WT6 H ATOM 54607 OH2 TIP3 8173 0.868 0.939 -0.731 1.00 0.00 WT6 O ATOM 54608 H1 TIP3 8173 -4.364 3.313 3.492 1.00 0.00 WT6 H ATOM 54609 H2 TIP3 8173 1.009 -5.552 0.958 1.00 0.00 WT6 H ATOM 54610 OH2 TIP3 8174 -2.944 -3.425 2.394 1.00 0.00 WT6 O ATOM 54611 H1 TIP3 8174 -5.970 -3.950 2.405 1.00 0.00 WT6 H ATOM 54612 H2 TIP3 8174 -7.198 -2.876 5.654 1.00 0.00 WT6 H ATOM 54613 OH2 TIP3 8193 -0.375 3.015 -6.296 1.00 0.00 WT6 O ATOM 54614 H1 TIP3 8193 -25.408 17.053 -6.874 1.00 0.00 WT6 H ATOM 54615 H2 TIP3 8193 -32.790 -18.788 -4.130 1.00 0.00 WT6 H ATOM 54616 OH2 TIP3 8218 -1.228 7.807 -5.372 1.00 0.00 WT6 O ATOM 54617 H1 TIP3 8218 0.871 4.141 16.002 1.00 0.00 WT6 H ATOM 54618 H2 TIP3 8218 -1.849 8.835 -9.511 1.00 0.00 WT6 H ATOM 54619 OH2 TIP3 8260 -2.322 -8.194 0.388 1.00 0.00 WT6 O ATOM 54620 H1 TIP3 8260 4.452 -12.204 14.647 1.00 0.00 WT6 H ATOM 54621 H2 TIP3 8260 -9.484 5.773 3.461 1.00 0.00 WT6 H ATOM 54622 OH2 TIP3 8278 -6.405 3.050 -8.036 1.00 0.00 WT6 O ATOM 54623 H1 TIP3 8278 -3.565 5.593 6.018 1.00 0.00 WT6 H ATOM 54624 H2 TIP3 8278 -16.705 -0.093 -13.596 1.00 0.00 WT6 H ATOM 54625 OH2 TIP3 8383 6.319 -0.564 -4.555 1.00 0.00 WT6 O ATOM 54626 H1 TIP3 8383 10.442 -3.162 20.468 1.00 0.00 WT6 H ATOM 54627 H2 TIP3 8383 -1.799 0.797 -16.039 1.00 0.00 WT6 H ATOM 54628 OH2 TIP3 8403 0.843 -4.878 1.936 1.00 0.00 WT6 O ATOM 54629 H1 TIP3 8403 7.950 -2.797 -15.669 1.00 0.00 WT6 H ATOM 54630 H2 TIP3 8403 16.735 -18.048 4.510 1.00 0.00 WT6 H ATOM 54631 OH2 TIP3 8411 -1.822 -4.356 -4.580 1.00 0.00 WT6 O ATOM 54632 H1 TIP3 8411 -13.437 -6.791 -2.538 1.00 0.00 WT6 H ATOM 54633 H2 TIP3 8411 -1.300 -15.886 -6.165 1.00 0.00 WT6 H ATOM 54634 OH2 TIP3 8425 -6.497 0.049 2.739 1.00 0.00 WT6 O ATOM 54635 H1 TIP3 8425 -7.351 1.641 3.340 1.00 0.00 WT6 H ATOM 54636 H2 TIP3 8425 8.217 -4.021 10.113 1.00 0.00 WT6 H ATOM 54637 OH2 TIP3 8466 3.279 -2.832 5.473 1.00 0.00 WT6 O ATOM 54638 H1 TIP3 8466 1.179 0.439 0.645 1.00 0.00 WT6 H ATOM 54639 H2 TIP3 8466 -4.388 7.213 9.144 1.00 0.00 WT6 H ATOM 54640 OH2 TIP3 8468 2.853 -2.512 -0.851 1.00 0.00 WT6 O ATOM 54641 H1 TIP3 8468 0.206 -6.291 -4.161 1.00 0.00 WT6 H ATOM 54642 H2 TIP3 8468 -2.341 0.416 17.554 1.00 0.00 WT6 H ATOM 54643 OH2 TIP3 8488 -5.389 4.954 -7.176 1.00 0.00 WT6 O ATOM 54644 H1 TIP3 8488 -6.744 7.791 -18.839 1.00 0.00 WT6 H ATOM 54645 H2 TIP3 8488 11.670 11.729 20.637 1.00 0.00 WT6 H ATOM 54646 OH2 TIP3 8534 4.762 0.320 -3.920 1.00 0.00 WT6 O ATOM 54647 H1 TIP3 8534 10.784 -2.723 -11.161 1.00 0.00 WT6 H ATOM 54648 H2 TIP3 8534 17.245 2.057 -19.691 1.00 0.00 WT6 H ATOM 54649 OH2 TIP3 8536 -2.979 5.827 -5.651 1.00 0.00 WT6 O ATOM 54650 H1 TIP3 8536 13.908 8.450 5.080 1.00 0.00 WT6 H ATOM 54651 H2 TIP3 8536 -1.981 22.654 -2.874 1.00 0.00 WT6 H ATOM 54652 OH2 TIP3 8549 4.689 -3.051 -0.288 1.00 0.00 WT6 O ATOM 54653 H1 TIP3 8549 -13.772 -0.490 -4.360 1.00 0.00 WT6 H ATOM 54654 H2 TIP3 8549 11.811 12.641 2.696 1.00 0.00 WT6 H ATOM 54655 OH2 TIP3 8556 -0.601 0.781 2.255 1.00 0.00 WT6 O ATOM 54656 H1 TIP3 8556 5.960 1.411 -0.301 1.00 0.00 WT6 H ATOM 54657 H2 TIP3 8556 -3.768 -8.203 6.138 1.00 0.00 WT6 H ATOM 54658 OH2 TIP3 8558 3.570 5.702 -5.430 1.00 0.00 WT6 O ATOM 54659 H1 TIP3 8558 -13.494 6.282 0.004 1.00 0.00 WT6 H ATOM 54660 H2 TIP3 8558 -3.873 -6.924 -10.951 1.00 0.00 WT6 H ATOM 54661 OH2 TIP3 8574 6.464 0.150 1.112 1.00 0.00 WT6 O ATOM 54662 H1 TIP3 8574 3.643 -14.464 -3.757 1.00 0.00 WT6 H ATOM 54663 H2 TIP3 8574 8.534 -2.167 14.022 1.00 0.00 WT6 H ATOM 54664 OH2 TIP3 8653 1.400 -5.944 0.222 1.00 0.00 WT6 O ATOM 54665 H1 TIP3 8653 18.361 -1.522 -10.844 1.00 0.00 WT6 H ATOM 54666 H2 TIP3 8653 -42.030 -2.224 12.456 1.00 0.00 WT6 H ATOM 54667 OH2 TIP3 8662 10.105 -2.315 1.746 1.00 0.00 WT6 O ATOM 54668 H1 TIP3 8662 14.394 -6.242 10.266 1.00 0.00 WT6 H ATOM 54669 H2 TIP3 8662 12.216 8.812 -7.075 1.00 0.00 WT6 H ATOM 54670 OH2 TIP3 8675 -4.742 -6.110 -5.623 1.00 0.00 WT6 O ATOM 54671 H1 TIP3 8675 -6.371 -16.060 -0.754 1.00 0.00 WT6 H ATOM 54672 H2 TIP3 8675 -8.066 6.330 -2.866 1.00 0.00 WT6 H ATOM 54673 OH2 TIP3 8679 1.655 -6.786 -1.064 1.00 0.00 WT6 O ATOM 54674 H1 TIP3 8679 0.597 -6.981 -14.144 1.00 0.00 WT6 H ATOM 54675 H2 TIP3 8679 2.139 -4.887 23.408 1.00 0.00 WT6 H ATOM 54676 OH2 TIP3 8683 -4.579 -1.467 0.697 1.00 0.00 WT6 O ATOM 54677 H1 TIP3 8683 -8.587 -0.149 -12.320 1.00 0.00 WT6 H ATOM 54678 H2 TIP3 8683 -8.595 5.501 6.290 1.00 0.00 WT6 H ATOM 54679 OH2 TIP3 8691 4.537 -6.952 -0.404 1.00 0.00 WT6 O ATOM 54680 H1 TIP3 8691 0.468 -9.056 0.085 1.00 0.00 WT6 H ATOM 54681 H2 TIP3 8691 19.484 -2.153 0.379 1.00 0.00 WT6 H ATOM 54682 OH2 TIP3 8695 -2.385 3.239 -2.465 1.00 0.00 WT6 O ATOM 54683 H1 TIP3 8695 3.294 -3.630 -26.286 1.00 0.00 WT6 H ATOM 54684 H2 TIP3 8695 -5.609 -10.268 17.594 1.00 0.00 WT6 H ATOM 54685 OH2 TIP3 8699 -2.738 3.923 0.223 1.00 0.00 WT6 O ATOM 54686 H1 TIP3 8699 -26.240 -11.263 2.716 1.00 0.00 WT6 H ATOM 54687 H2 TIP3 8699 12.969 16.508 8.470 1.00 0.00 WT6 H ATOM 54688 OH2 TIP3 8701 6.290 -2.682 3.597 1.00 0.00 WT6 O ATOM 54689 H1 TIP3 8701 11.281 14.141 -0.187 1.00 0.00 WT6 H ATOM 54690 H2 TIP3 8701 -11.557 -4.659 24.965 1.00 0.00 WT6 H ATOM 54691 OH2 TIP3 8721 -0.456 1.123 0.283 1.00 0.00 WT6 O ATOM 54692 H1 TIP3 8721 -18.062 7.096 1.428 1.00 0.00 WT6 H ATOM 54693 H2 TIP3 8721 19.564 2.846 10.048 1.00 0.00 WT6 H ATOM 54694 OH2 TIP3 8722 -1.647 1.802 0.963 1.00 0.00 WT6 O ATOM 54695 H1 TIP3 8722 2.294 11.469 9.595 1.00 0.00 WT6 H ATOM 54696 H2 TIP3 8722 -29.791 -2.873 -12.631 1.00 0.00 WT6 H ATOM 54697 OH2 TIP3 8780 3.559 1.626 5.486 1.00 0.00 WT6 O ATOM 54698 H1 TIP3 8780 7.447 -24.366 4.938 1.00 0.00 WT6 H ATOM 54699 H2 TIP3 8780 24.726 20.695 25.275 1.00 0.00 WT6 H ATOM 54700 OH2 TIP3 8800 6.062 -3.244 0.088 1.00 0.00 WT6 O ATOM 54701 H1 TIP3 8800 -25.965 5.571 14.177 1.00 0.00 WT6 H ATOM 54702 H2 TIP3 8800 17.452 -8.332 -12.996 1.00 0.00 WT6 H ATOM 54703 OH2 TIP3 8809 0.830 1.151 -1.260 1.00 0.00 WT6 O ATOM 54704 H1 TIP3 8809 1.110 -12.574 3.164 1.00 0.00 WT6 H ATOM 54705 H2 TIP3 8809 -17.651 25.805 28.057 1.00 0.00 WT6 H ATOM 54706 OH2 TIP3 8822 -2.684 5.748 4.925 1.00 0.00 WT6 O ATOM 54707 H1 TIP3 8822 -12.025 -38.377 -3.043 1.00 0.00 WT6 H ATOM 54708 H2 TIP3 8822 -17.660 4.065 -5.303 1.00 0.00 WT6 H ATOM 54709 OH2 TIP3 8829 -5.860 -1.649 -1.781 1.00 0.00 WT6 O ATOM 54710 H1 TIP3 8829 -8.842 -9.735 1.311 1.00 0.00 WT6 H ATOM 54711 H2 TIP3 8829 -3.099 1.811 -7.938 1.00 0.00 WT6 H ATOM 54712 OH2 TIP3 8845 -1.374 -0.246 0.820 1.00 0.00 WT6 O ATOM 54713 H1 TIP3 8845 3.901 -10.670 7.242 1.00 0.00 WT6 H ATOM 54714 H2 TIP3 8845 -4.207 -3.459 -2.736 1.00 0.00 WT6 H ATOM 54715 OH2 TIP3 8890 -2.208 -3.458 -1.353 1.00 0.00 WT6 O ATOM 54716 H1 TIP3 8890 4.113 -0.868 14.549 1.00 0.00 WT6 H ATOM 54717 H2 TIP3 8890 13.264 14.175 1.190 1.00 0.00 WT6 H ATOM 54718 OH2 TIP3 8927 2.333 0.892 6.508 1.00 0.00 WT6 O ATOM 54719 H1 TIP3 8927 -4.852 3.477 3.630 1.00 0.00 WT6 H ATOM 54720 H2 TIP3 8927 9.385 6.722 0.799 1.00 0.00 WT6 H ATOM 54721 OH2 TIP3 8935 -4.518 -5.899 8.156 1.00 0.00 WT6 O ATOM 54722 H1 TIP3 8935 22.968 -15.944 12.087 1.00 0.00 WT6 H ATOM 54723 H2 TIP3 8935 -10.541 8.445 5.905 1.00 0.00 WT6 H ATOM 54724 OH2 TIP3 8972 -3.864 1.691 -3.165 1.00 0.00 WT6 O ATOM 54725 H1 TIP3 8972 -6.204 -5.063 -2.350 1.00 0.00 WT6 H ATOM 54726 H2 TIP3 8972 -9.135 9.157 -2.597 1.00 0.00 WT6 H ATOM 54727 OH2 TIP3 8973 -0.583 -0.989 1.091 1.00 0.00 WT6 O ATOM 54728 H1 TIP3 8973 10.125 6.228 8.494 1.00 0.00 WT6 H ATOM 54729 H2 TIP3 8973 -3.927 -6.836 -7.128 1.00 0.00 WT6 H ATOM 54730 OH2 TIP3 8977 -0.673 2.399 12.137 1.00 0.00 WT6 O ATOM 54731 H1 TIP3 8977 13.821 -3.371 -5.703 1.00 0.00 WT6 H ATOM 54732 H2 TIP3 8977 13.522 -8.328 -20.412 1.00 0.00 WT6 H ATOM 54733 OH2 TIP3 8988 -1.116 3.329 4.874 1.00 0.00 WT6 O ATOM 54734 H1 TIP3 8988 -9.364 -15.387 11.568 1.00 0.00 WT6 H ATOM 54735 H2 TIP3 8988 -10.613 15.275 -10.830 1.00 0.00 WT6 H ATOM 54736 OH2 TIP3 9035 -2.226 -0.572 -6.368 1.00 0.00 WT6 O ATOM 54737 H1 TIP3 9035 -1.641 6.061 -21.146 1.00 0.00 WT6 H ATOM 54738 H2 TIP3 9035 -10.913 6.930 -16.377 1.00 0.00 WT6 H ATOM 54739 OH2 TIP3 9047 0.782 3.780 -0.479 1.00 0.00 WT6 O ATOM 54740 H1 TIP3 9047 -22.900 1.419 -31.692 1.00 0.00 WT6 H ATOM 54741 H2 TIP3 9047 -29.115 19.310 -6.511 1.00 0.00 WT6 H ATOM 54742 OH2 TIP3 9055 -5.242 -6.472 -0.547 1.00 0.00 WT6 O ATOM 54743 H1 TIP3 9055 -11.954 -14.047 -5.537 1.00 0.00 WT6 H ATOM 54744 H2 TIP3 9055 6.273 7.166 7.576 1.00 0.00 WT6 H ATOM 54745 OH2 TIP3 9073 -2.676 -7.743 0.056 1.00 0.00 WT6 O ATOM 54746 H1 TIP3 9073 -5.319 0.170 -3.197 1.00 0.00 WT6 H ATOM 54747 H2 TIP3 9073 -3.853 -4.718 3.436 1.00 0.00 WT6 H ATOM 54748 OH2 TIP3 9096 -2.946 -9.722 5.465 1.00 0.00 WT6 O ATOM 54749 H1 TIP3 9096 -16.605 -14.248 -8.923 1.00 0.00 WT6 H ATOM 54750 H2 TIP3 9096 7.786 -15.795 11.100 1.00 0.00 WT6 H ATOM 54751 OH2 TIP3 9097 1.463 -1.535 0.039 1.00 0.00 WT6 O ATOM 54752 H1 TIP3 9097 -6.115 -11.773 -11.415 1.00 0.00 WT6 H ATOM 54753 H2 TIP3 9097 -1.717 -9.657 -13.224 1.00 0.00 WT6 H ATOM 54754 OH2 TIP3 9116 0.326 -2.035 1.287 1.00 0.00 WT6 O ATOM 54755 H1 TIP3 9116 14.988 13.843 -0.033 1.00 0.00 WT6 H ATOM 54756 H2 TIP3 9116 -4.328 -0.354 -7.672 1.00 0.00 WT6 H ATOM 54757 OH2 TIP3 9124 -2.413 6.397 5.685 1.00 0.00 WT6 O ATOM 54758 H1 TIP3 9124 -9.642 -9.337 21.221 1.00 0.00 WT6 H ATOM 54759 H2 TIP3 9124 22.404 3.561 0.169 1.00 0.00 WT6 H ATOM 54760 OH2 TIP3 9143 -0.806 -5.123 -1.138 1.00 0.00 WT6 O ATOM 54761 H1 TIP3 9143 -2.487 -19.233 -1.415 1.00 0.00 WT6 H ATOM 54762 H2 TIP3 9143 9.347 2.008 11.622 1.00 0.00 WT6 H ATOM 54763 OH2 TIP3 9144 0.109 -2.325 -5.852 1.00 0.00 WT6 O ATOM 54764 H1 TIP3 9144 0.807 -9.867 -9.766 1.00 0.00 WT6 H ATOM 54765 H2 TIP3 9144 5.355 -0.658 13.239 1.00 0.00 WT6 H ATOM 54766 OH2 TIP3 9157 1.415 3.315 -0.220 1.00 0.00 WT6 O ATOM 54767 H1 TIP3 9157 6.966 13.152 1.310 1.00 0.00 WT6 H ATOM 54768 H2 TIP3 9157 -6.944 -7.916 12.428 1.00 0.00 WT6 H ATOM 54769 OH2 TIP3 9158 0.228 0.707 1.594 1.00 0.00 WT6 O ATOM 54770 H1 TIP3 9158 13.511 -0.905 0.547 1.00 0.00 WT6 H ATOM 54771 H2 TIP3 9158 -17.205 7.494 -26.656 1.00 0.00 WT6 H ATOM 54772 OH2 TIP3 9162 -3.673 -1.465 -3.336 1.00 0.00 WT6 O ATOM 54773 H1 TIP3 9162 13.265 11.235 17.065 1.00 0.00 WT6 H ATOM 54774 H2 TIP3 9162 14.094 -10.796 -14.771 1.00 0.00 WT6 H ATOM 54775 OH2 TIP3 9183 3.372 2.262 -0.600 1.00 0.00 WT6 O ATOM 54776 H1 TIP3 9183 4.663 -4.974 0.979 1.00 0.00 WT6 H ATOM 54777 H2 TIP3 9183 7.904 8.144 9.038 1.00 0.00 WT6 H ATOM 54778 OH2 TIP3 9184 -6.040 -3.609 4.543 1.00 0.00 WT6 O ATOM 54779 H1 TIP3 9184 7.930 -8.383 -15.567 1.00 0.00 WT6 H ATOM 54780 H2 TIP3 9184 18.712 -32.887 9.462 1.00 0.00 WT6 H ATOM 54781 OH2 TIP3 9198 -1.361 -3.218 -2.392 1.00 0.00 WT6 O ATOM 54782 H1 TIP3 9198 -1.550 -1.092 -2.551 1.00 0.00 WT6 H ATOM 54783 H2 TIP3 9198 -3.790 -3.207 -22.339 1.00 0.00 WT6 H ATOM 54784 OH2 TIP3 9223 -0.660 -3.736 -2.649 1.00 0.00 WT6 O ATOM 54785 H1 TIP3 9223 -25.557 -0.699 -20.697 1.00 0.00 WT6 H ATOM 54786 H2 TIP3 9223 9.893 0.486 2.430 1.00 0.00 WT6 H ATOM 54787 OH2 TIP3 9227 4.764 1.726 -0.870 1.00 0.00 WT6 O ATOM 54788 H1 TIP3 9227 -7.318 12.289 -0.637 1.00 0.00 WT6 H ATOM 54789 H2 TIP3 9227 19.820 -7.022 -4.543 1.00 0.00 WT6 H ATOM 54790 OH2 TIP3 9250 1.081 -3.148 -1.564 1.00 0.00 WT6 O ATOM 54791 H1 TIP3 9250 -1.774 -3.367 11.394 1.00 0.00 WT6 H ATOM 54792 H2 TIP3 9250 -11.716 11.563 4.455 1.00 0.00 WT6 H ATOM 54793 OH2 TIP3 5 -0.517 -1.110 3.048 1.00 0.00 WT7 O ATOM 54794 H1 TIP3 5 -5.973 3.307 22.052 1.00 0.00 WT7 H ATOM 54795 H2 TIP3 5 1.960 19.470 3.259 1.00 0.00 WT7 H ATOM 54796 OH2 TIP3 8 0.994 2.850 -0.386 1.00 0.00 WT7 O ATOM 54797 H1 TIP3 8 -3.982 5.327 -2.862 1.00 0.00 WT7 H ATOM 54798 H2 TIP3 8 -2.334 -0.402 3.945 1.00 0.00 WT7 H ATOM 54799 OH2 TIP3 15 -0.803 3.878 1.823 1.00 0.00 WT7 O ATOM 54800 H1 TIP3 15 -0.056 9.847 2.426 1.00 0.00 WT7 H ATOM 54801 H2 TIP3 15 7.764 2.513 1.260 1.00 0.00 WT7 H ATOM 54802 OH2 TIP3 19 2.730 0.978 -0.039 1.00 0.00 WT7 O ATOM 54803 H1 TIP3 19 -1.678 13.496 10.899 1.00 0.00 WT7 H ATOM 54804 H2 TIP3 19 7.342 -12.295 -10.792 1.00 0.00 WT7 H ATOM 54805 OH2 TIP3 37 -3.370 -0.902 0.708 1.00 0.00 WT7 O ATOM 54806 H1 TIP3 37 -0.782 2.185 3.868 1.00 0.00 WT7 H ATOM 54807 H2 TIP3 37 0.146 -0.479 -4.099 1.00 0.00 WT7 H ATOM 54808 OH2 TIP3 42 -2.323 -10.531 2.633 1.00 0.00 WT7 O ATOM 54809 H1 TIP3 42 7.494 3.847 -19.384 1.00 0.00 WT7 H ATOM 54810 H2 TIP3 42 -2.069 1.712 -6.972 1.00 0.00 WT7 H ATOM 54811 OH2 TIP3 44 -5.018 1.901 -7.331 1.00 0.00 WT7 O ATOM 54812 H1 TIP3 44 -4.769 15.900 -11.122 1.00 0.00 WT7 H ATOM 54813 H2 TIP3 44 -8.953 1.152 5.855 1.00 0.00 WT7 H ATOM 54814 OH2 TIP3 48 -4.889 -1.835 -2.183 1.00 0.00 WT7 O ATOM 54815 H1 TIP3 48 -2.171 1.487 -11.025 1.00 0.00 WT7 H ATOM 54816 H2 TIP3 48 2.991 3.398 -10.979 1.00 0.00 WT7 H ATOM 54817 OH2 TIP3 52 5.592 4.236 -2.691 1.00 0.00 WT7 O ATOM 54818 H1 TIP3 52 5.468 2.671 -1.478 1.00 0.00 WT7 H ATOM 54819 H2 TIP3 52 10.335 16.155 -18.247 1.00 0.00 WT7 H ATOM 54820 OH2 TIP3 53 7.940 -0.481 -3.266 1.00 0.00 WT7 O ATOM 54821 H1 TIP3 53 11.741 -2.855 4.954 1.00 0.00 WT7 H ATOM 54822 H2 TIP3 53 14.090 12.712 -15.118 1.00 0.00 WT7 H ATOM 54823 OH2 TIP3 55 -1.911 -4.234 -2.415 1.00 0.00 WT7 O ATOM 54824 H1 TIP3 55 -41.778 5.520 34.825 1.00 0.00 WT7 H ATOM 54825 H2 TIP3 55 -5.438 15.407 9.545 1.00 0.00 WT7 H ATOM 54826 OH2 TIP3 61 2.457 2.567 5.492 1.00 0.00 WT7 O ATOM 54827 H1 TIP3 61 8.684 12.384 9.996 1.00 0.00 WT7 H ATOM 54828 H2 TIP3 61 33.968 -2.322 -1.369 1.00 0.00 WT7 H ATOM 54829 OH2 TIP3 67 -7.493 -1.482 9.535 1.00 0.00 WT7 O ATOM 54830 H1 TIP3 67 0.767 1.487 -2.509 1.00 0.00 WT7 H ATOM 54831 H2 TIP3 67 -6.870 -16.147 5.873 1.00 0.00 WT7 H ATOM 54832 OH2 TIP3 78 1.292 -0.614 3.511 1.00 0.00 WT7 O ATOM 54833 H1 TIP3 78 -8.315 9.321 10.756 1.00 0.00 WT7 H ATOM 54834 H2 TIP3 78 -6.138 -9.561 -2.957 1.00 0.00 WT7 H ATOM 54835 OH2 TIP3 87 2.230 -2.028 6.614 1.00 0.00 WT7 O ATOM 54836 H1 TIP3 87 -9.379 18.012 3.869 1.00 0.00 WT7 H ATOM 54837 H2 TIP3 87 -3.779 -12.621 -4.136 1.00 0.00 WT7 H ATOM 54838 OH2 TIP3 94 0.079 -1.435 -0.326 1.00 0.00 WT7 O ATOM 54839 H1 TIP3 94 -30.990 1.979 -31.857 1.00 0.00 WT7 H ATOM 54840 H2 TIP3 94 5.781 -9.629 21.922 1.00 0.00 WT7 H ATOM 54841 OH2 TIP3 95 4.858 -4.863 1.866 1.00 0.00 WT7 O ATOM 54842 H1 TIP3 95 8.816 -5.210 -12.768 1.00 0.00 WT7 H ATOM 54843 H2 TIP3 95 9.568 -3.708 6.963 1.00 0.00 WT7 H ATOM 54844 OH2 TIP3 113 -1.148 -4.065 0.569 1.00 0.00 WT7 O ATOM 54845 H1 TIP3 113 -1.327 -5.985 -11.663 1.00 0.00 WT7 H ATOM 54846 H2 TIP3 113 25.456 -9.934 -13.935 1.00 0.00 WT7 H ATOM 54847 OH2 TIP3 115 -2.845 -9.514 1.042 1.00 0.00 WT7 O ATOM 54848 H1 TIP3 115 -3.924 -6.375 2.754 1.00 0.00 WT7 H ATOM 54849 H2 TIP3 115 -1.940 -11.249 1.917 1.00 0.00 WT7 H ATOM 54850 OH2 TIP3 122 -0.248 -0.110 1.141 1.00 0.00 WT7 O ATOM 54851 H1 TIP3 122 -12.613 -2.293 3.261 1.00 0.00 WT7 H ATOM 54852 H2 TIP3 122 6.023 -1.984 10.756 1.00 0.00 WT7 H ATOM 54853 OH2 TIP3 128 3.029 -3.372 -0.423 1.00 0.00 WT7 O ATOM 54854 H1 TIP3 128 5.315 0.596 1.841 1.00 0.00 WT7 H ATOM 54855 H2 TIP3 128 -37.198 -44.999 -5.453 1.00 0.00 WT7 H ATOM 54856 OH2 TIP3 135 1.800 5.581 3.509 1.00 0.00 WT7 O ATOM 54857 H1 TIP3 135 9.287 17.101 11.202 1.00 0.00 WT7 H ATOM 54858 H2 TIP3 135 -1.795 6.471 -14.020 1.00 0.00 WT7 H ATOM 54859 OH2 TIP3 137 4.742 1.168 0.695 1.00 0.00 WT7 O ATOM 54860 H1 TIP3 137 4.969 -15.735 7.875 1.00 0.00 WT7 H ATOM 54861 H2 TIP3 137 5.027 -20.676 5.169 1.00 0.00 WT7 H ATOM 54862 OH2 TIP3 149 -2.506 3.228 -0.746 1.00 0.00 WT7 O ATOM 54863 H1 TIP3 149 -2.365 -8.852 10.482 1.00 0.00 WT7 H ATOM 54864 H2 TIP3 149 -4.448 -4.209 -16.088 1.00 0.00 WT7 H ATOM 54865 OH2 TIP3 150 -0.377 -4.663 -2.468 1.00 0.00 WT7 O ATOM 54866 H1 TIP3 150 -12.712 5.209 -12.360 1.00 0.00 WT7 H ATOM 54867 H2 TIP3 150 -7.531 -5.145 16.290 1.00 0.00 WT7 H ATOM 54868 OH2 TIP3 153 -2.215 -1.184 2.000 1.00 0.00 WT7 O ATOM 54869 H1 TIP3 153 2.631 -5.329 2.638 1.00 0.00 WT7 H ATOM 54870 H2 TIP3 153 -9.089 15.154 18.911 1.00 0.00 WT7 H ATOM 54871 OH2 TIP3 155 -1.104 3.439 -1.610 1.00 0.00 WT7 O ATOM 54872 H1 TIP3 155 -0.589 6.103 14.938 1.00 0.00 WT7 H ATOM 54873 H2 TIP3 155 -17.178 10.905 -9.270 1.00 0.00 WT7 H ATOM 54874 OH2 TIP3 165 -4.345 -8.578 -0.248 1.00 0.00 WT7 O ATOM 54875 H1 TIP3 165 4.751 20.057 10.143 1.00 0.00 WT7 H ATOM 54876 H2 TIP3 165 -19.338 -16.436 9.389 1.00 0.00 WT7 H ATOM 54877 OH2 TIP3 167 3.263 2.764 6.452 1.00 0.00 WT7 O ATOM 54878 H1 TIP3 167 -12.543 -8.673 6.527 1.00 0.00 WT7 H ATOM 54879 H2 TIP3 167 -19.949 -20.073 2.430 1.00 0.00 WT7 H ATOM 54880 OH2 TIP3 175 -2.089 -2.572 -0.035 1.00 0.00 WT7 O ATOM 54881 H1 TIP3 175 -15.287 4.169 7.527 1.00 0.00 WT7 H ATOM 54882 H2 TIP3 175 7.144 -9.051 -15.466 1.00 0.00 WT7 H ATOM 54883 OH2 TIP3 177 0.814 -0.081 0.486 1.00 0.00 WT7 O ATOM 54884 H1 TIP3 177 -14.397 -21.256 8.294 1.00 0.00 WT7 H ATOM 54885 H2 TIP3 177 -6.007 -4.890 -2.826 1.00 0.00 WT7 H ATOM 54886 OH2 TIP3 201 0.043 -11.867 -4.412 1.00 0.00 WT7 O ATOM 54887 H1 TIP3 201 3.801 -14.559 -8.341 1.00 0.00 WT7 H ATOM 54888 H2 TIP3 201 -0.454 20.099 -7.415 1.00 0.00 WT7 H ATOM 54889 OH2 TIP3 225 -1.117 1.249 1.125 1.00 0.00 WT7 O ATOM 54890 H1 TIP3 225 -1.313 1.972 -12.686 1.00 0.00 WT7 H ATOM 54891 H2 TIP3 225 -24.067 13.094 8.195 1.00 0.00 WT7 H ATOM 54892 OH2 TIP3 234 -0.524 1.275 3.125 1.00 0.00 WT7 O ATOM 54893 H1 TIP3 234 12.377 3.063 9.536 1.00 0.00 WT7 H ATOM 54894 H2 TIP3 234 4.582 6.663 -0.241 1.00 0.00 WT7 H ATOM 54895 OH2 TIP3 237 -0.132 -0.636 -9.008 1.00 0.00 WT7 O ATOM 54896 H1 TIP3 237 1.754 -2.222 -23.347 1.00 0.00 WT7 H ATOM 54897 H2 TIP3 237 3.074 -1.782 -18.877 1.00 0.00 WT7 H ATOM 54898 OH2 TIP3 261 0.820 -0.426 -0.035 1.00 0.00 WT7 O ATOM 54899 H1 TIP3 261 -65.742 -15.988 8.889 1.00 0.00 WT7 H ATOM 54900 H2 TIP3 261 25.610 21.933 -16.807 1.00 0.00 WT7 H ATOM 54901 OH2 TIP3 268 0.285 -2.754 -1.920 1.00 0.00 WT7 O ATOM 54902 H1 TIP3 268 4.668 -3.379 -2.157 1.00 0.00 WT7 H ATOM 54903 H2 TIP3 268 6.623 4.824 9.163 1.00 0.00 WT7 H ATOM 54904 OH2 TIP3 313 -0.521 0.226 -5.618 1.00 0.00 WT7 O ATOM 54905 H1 TIP3 313 17.109 25.277 0.854 1.00 0.00 WT7 H ATOM 54906 H2 TIP3 313 27.869 26.778 11.589 1.00 0.00 WT7 H ATOM 54907 OH2 TIP3 379 0.081 -4.360 -1.401 1.00 0.00 WT7 O ATOM 54908 H1 TIP3 379 26.500 -10.986 10.583 1.00 0.00 WT7 H ATOM 54909 H2 TIP3 379 -11.233 -0.430 -7.340 1.00 0.00 WT7 H ATOM 54910 OH2 TIP3 400 2.488 1.876 -6.038 1.00 0.00 WT7 O ATOM 54911 H1 TIP3 400 -5.971 0.148 -13.636 1.00 0.00 WT7 H ATOM 54912 H2 TIP3 400 4.181 -8.354 2.069 1.00 0.00 WT7 H ATOM 54913 OH2 TIP3 417 -3.930 2.164 -3.695 1.00 0.00 WT7 O ATOM 54914 H1 TIP3 417 -11.181 -4.584 -0.185 1.00 0.00 WT7 H ATOM 54915 H2 TIP3 417 -7.542 -1.179 0.009 1.00 0.00 WT7 H ATOM 54916 OH2 TIP3 449 -2.155 -4.699 0.761 1.00 0.00 WT7 O ATOM 54917 H1 TIP3 449 21.979 -41.591 -13.625 1.00 0.00 WT7 H ATOM 54918 H2 TIP3 449 5.198 0.093 -8.252 1.00 0.00 WT7 H ATOM 54919 OH2 TIP3 462 -3.770 7.745 1.825 1.00 0.00 WT7 O ATOM 54920 H1 TIP3 462 -10.066 -3.783 -3.033 1.00 0.00 WT7 H ATOM 54921 H2 TIP3 462 0.720 14.901 4.500 1.00 0.00 WT7 H ATOM 54922 OH2 TIP3 463 -1.116 -0.349 -3.757 1.00 0.00 WT7 O ATOM 54923 H1 TIP3 463 -0.205 -1.650 2.240 1.00 0.00 WT7 H ATOM 54924 H2 TIP3 463 -13.578 2.459 -10.279 1.00 0.00 WT7 H ATOM 54925 OH2 TIP3 485 0.643 2.490 -3.264 1.00 0.00 WT7 O ATOM 54926 H1 TIP3 485 20.716 -1.509 -31.771 1.00 0.00 WT7 H ATOM 54927 H2 TIP3 485 -15.359 10.315 -22.348 1.00 0.00 WT7 H ATOM 54928 OH2 TIP3 486 -3.341 3.575 1.233 1.00 0.00 WT7 O ATOM 54929 H1 TIP3 486 11.953 7.748 23.742 1.00 0.00 WT7 H ATOM 54930 H2 TIP3 486 -23.416 9.705 12.407 1.00 0.00 WT7 H ATOM 54931 OH2 TIP3 489 -1.951 5.782 4.268 1.00 0.00 WT7 O ATOM 54932 H1 TIP3 489 2.217 11.253 -6.489 1.00 0.00 WT7 H ATOM 54933 H2 TIP3 489 -5.622 -6.874 13.663 1.00 0.00 WT7 H ATOM 54934 OH2 TIP3 490 -0.735 1.688 -0.890 1.00 0.00 WT7 O ATOM 54935 H1 TIP3 490 12.603 14.514 -7.958 1.00 0.00 WT7 H ATOM 54936 H2 TIP3 490 7.141 9.762 -8.728 1.00 0.00 WT7 H ATOM 54937 OH2 TIP3 491 4.642 0.845 -6.028 1.00 0.00 WT7 O ATOM 54938 H1 TIP3 491 5.990 -14.734 -10.778 1.00 0.00 WT7 H ATOM 54939 H2 TIP3 491 5.227 -9.344 7.738 1.00 0.00 WT7 H ATOM 54940 OH2 TIP3 494 -3.377 -1.664 -2.901 1.00 0.00 WT7 O ATOM 54941 H1 TIP3 494 14.055 -0.625 37.526 1.00 0.00 WT7 H ATOM 54942 H2 TIP3 494 -21.265 -14.803 -7.278 1.00 0.00 WT7 H ATOM 54943 OH2 TIP3 501 1.046 -8.286 5.464 1.00 0.00 WT7 O ATOM 54944 H1 TIP3 501 3.037 -14.500 9.412 1.00 0.00 WT7 H ATOM 54945 H2 TIP3 501 -0.952 -28.804 2.050 1.00 0.00 WT7 H ATOM 54946 OH2 TIP3 502 3.804 4.575 -0.321 1.00 0.00 WT7 O ATOM 54947 H1 TIP3 502 4.515 4.755 -1.667 1.00 0.00 WT7 H ATOM 54948 H2 TIP3 502 2.817 7.887 -1.007 1.00 0.00 WT7 H ATOM 54949 OH2 TIP3 503 -6.742 1.008 -6.118 1.00 0.00 WT7 O ATOM 54950 H1 TIP3 503 0.586 27.278 -0.942 1.00 0.00 WT7 H ATOM 54951 H2 TIP3 503 1.935 -2.201 -16.051 1.00 0.00 WT7 H ATOM 54952 OH2 TIP3 506 -0.534 -1.195 1.893 1.00 0.00 WT7 O ATOM 54953 H1 TIP3 506 -5.721 7.344 -8.194 1.00 0.00 WT7 H ATOM 54954 H2 TIP3 506 10.389 -6.217 -4.028 1.00 0.00 WT7 H ATOM 54955 OH2 TIP3 509 -4.672 1.070 1.212 1.00 0.00 WT7 O ATOM 54956 H1 TIP3 509 -2.695 5.913 17.945 1.00 0.00 WT7 H ATOM 54957 H2 TIP3 509 1.434 0.643 -0.554 1.00 0.00 WT7 H ATOM 54958 OH2 TIP3 511 -4.366 -0.212 2.111 1.00 0.00 WT7 O ATOM 54959 H1 TIP3 511 -4.607 9.498 -2.278 1.00 0.00 WT7 H ATOM 54960 H2 TIP3 511 -4.516 27.533 -9.385 1.00 0.00 WT7 H ATOM 54961 OH2 TIP3 515 -2.729 0.915 1.953 1.00 0.00 WT7 O ATOM 54962 H1 TIP3 515 -0.137 5.635 -0.534 1.00 0.00 WT7 H ATOM 54963 H2 TIP3 515 5.557 6.931 1.988 1.00 0.00 WT7 H ATOM 54964 OH2 TIP3 516 0.938 -5.320 0.616 1.00 0.00 WT7 O ATOM 54965 H1 TIP3 516 6.700 -2.039 5.179 1.00 0.00 WT7 H ATOM 54966 H2 TIP3 516 2.162 -13.513 -2.414 1.00 0.00 WT7 H ATOM 54967 OH2 TIP3 520 -0.009 -6.821 7.764 1.00 0.00 WT7 O ATOM 54968 H1 TIP3 520 -13.653 -9.816 -3.884 1.00 0.00 WT7 H ATOM 54969 H2 TIP3 520 14.313 0.151 23.255 1.00 0.00 WT7 H ATOM 54970 OH2 TIP3 526 -1.353 -1.438 -0.281 1.00 0.00 WT7 O ATOM 54971 H1 TIP3 526 -24.709 -8.313 5.253 1.00 0.00 WT7 H ATOM 54972 H2 TIP3 526 0.874 -1.155 -5.130 1.00 0.00 WT7 H ATOM 54973 OH2 TIP3 540 -0.654 6.571 13.443 1.00 0.00 WT7 O ATOM 54974 H1 TIP3 540 -0.503 4.899 21.161 1.00 0.00 WT7 H ATOM 54975 H2 TIP3 540 -1.770 25.500 -7.661 1.00 0.00 WT7 H ATOM 54976 OH2 TIP3 541 0.354 -4.363 -0.934 1.00 0.00 WT7 O ATOM 54977 H1 TIP3 541 0.876 -11.776 7.724 1.00 0.00 WT7 H ATOM 54978 H2 TIP3 541 -1.271 5.128 -10.096 1.00 0.00 WT7 H ATOM 54979 OH2 TIP3 548 7.214 3.931 1.045 1.00 0.00 WT7 O ATOM 54980 H1 TIP3 548 10.097 -3.089 7.667 1.00 0.00 WT7 H ATOM 54981 H2 TIP3 548 6.119 21.262 6.513 1.00 0.00 WT7 H ATOM 54982 OH2 TIP3 550 0.358 3.018 3.768 1.00 0.00 WT7 O ATOM 54983 H1 TIP3 550 -28.818 9.905 -2.977 1.00 0.00 WT7 H ATOM 54984 H2 TIP3 550 13.706 -5.887 9.326 1.00 0.00 WT7 H ATOM 54985 OH2 TIP3 551 3.275 4.075 1.536 1.00 0.00 WT7 O ATOM 54986 H1 TIP3 551 5.728 -4.165 22.954 1.00 0.00 WT7 H ATOM 54987 H2 TIP3 551 -1.406 13.343 8.971 1.00 0.00 WT7 H ATOM 54988 OH2 TIP3 555 0.857 -9.791 -1.225 1.00 0.00 WT7 O ATOM 54989 H1 TIP3 555 14.352 -0.819 6.268 1.00 0.00 WT7 H ATOM 54990 H2 TIP3 555 -6.513 -14.490 -5.051 1.00 0.00 WT7 H ATOM 54991 OH2 TIP3 556 -0.901 -4.683 -0.307 1.00 0.00 WT7 O ATOM 54992 H1 TIP3 556 13.763 -14.799 -26.244 1.00 0.00 WT7 H ATOM 54993 H2 TIP3 556 4.876 -6.886 -5.258 1.00 0.00 WT7 H ATOM 54994 OH2 TIP3 562 -7.676 2.899 -8.539 1.00 0.00 WT7 O ATOM 54995 H1 TIP3 562 -9.970 6.526 -14.425 1.00 0.00 WT7 H ATOM 54996 H2 TIP3 562 -9.063 8.612 -6.889 1.00 0.00 WT7 H ATOM 54997 OH2 TIP3 564 -4.953 0.637 4.487 1.00 0.00 WT7 O ATOM 54998 H1 TIP3 564 -2.945 6.710 -31.683 1.00 0.00 WT7 H ATOM 54999 H2 TIP3 564 17.243 7.553 -0.553 1.00 0.00 WT7 H ATOM 55000 OH2 TIP3 573 3.134 -1.979 5.079 1.00 0.00 WT7 O ATOM 55001 H1 TIP3 573 -1.552 -22.269 8.685 1.00 0.00 WT7 H ATOM 55002 H2 TIP3 573 26.331 4.207 -1.410 1.00 0.00 WT7 H ATOM 55003 OH2 TIP3 575 -0.658 -1.333 4.696 1.00 0.00 WT7 O ATOM 55004 H1 TIP3 575 7.683 -14.307 -1.555 1.00 0.00 WT7 H ATOM 55005 H2 TIP3 575 -10.989 22.139 19.797 1.00 0.00 WT7 H ATOM 55006 OH2 TIP3 576 0.870 2.769 1.220 1.00 0.00 WT7 O ATOM 55007 H1 TIP3 576 -12.863 -15.755 -9.472 1.00 0.00 WT7 H ATOM 55008 H2 TIP3 576 -7.852 0.754 -1.303 1.00 0.00 WT7 H ATOM 55009 OH2 TIP3 578 4.461 -4.128 2.727 1.00 0.00 WT7 O ATOM 55010 H1 TIP3 578 -20.278 6.388 3.909 1.00 0.00 WT7 H ATOM 55011 H2 TIP3 578 15.315 3.700 -5.578 1.00 0.00 WT7 H ATOM 55012 OH2 TIP3 584 -2.042 3.587 1.139 1.00 0.00 WT7 O ATOM 55013 H1 TIP3 584 -0.222 3.988 5.777 1.00 0.00 WT7 H ATOM 55014 H2 TIP3 584 -12.955 3.465 13.473 1.00 0.00 WT7 H ATOM 55015 OH2 TIP3 586 -6.960 -8.444 6.798 1.00 0.00 WT7 O ATOM 55016 H1 TIP3 586 19.128 -24.707 3.284 1.00 0.00 WT7 H ATOM 55017 H2 TIP3 586 -12.109 0.365 7.859 1.00 0.00 WT7 H ATOM 55018 OH2 TIP3 591 3.471 3.555 -0.078 1.00 0.00 WT7 O ATOM 55019 H1 TIP3 591 17.193 -1.648 -1.706 1.00 0.00 WT7 H ATOM 55020 H2 TIP3 591 6.573 5.351 -4.190 1.00 0.00 WT7 H ATOM 55021 OH2 TIP3 593 3.746 -2.432 -2.870 1.00 0.00 WT7 O ATOM 55022 H1 TIP3 593 19.760 -5.659 8.781 1.00 0.00 WT7 H ATOM 55023 H2 TIP3 593 14.743 13.161 -19.788 1.00 0.00 WT7 H ATOM 55024 OH2 TIP3 594 -5.679 2.075 -2.145 1.00 0.00 WT7 O ATOM 55025 H1 TIP3 594 -16.566 36.331 -2.016 1.00 0.00 WT7 H ATOM 55026 H2 TIP3 594 -13.265 13.763 5.806 1.00 0.00 WT7 H ATOM 55027 OH2 TIP3 599 0.321 3.420 -5.446 1.00 0.00 WT7 O ATOM 55028 H1 TIP3 599 2.389 -18.717 -3.493 1.00 0.00 WT7 H ATOM 55029 H2 TIP3 599 -12.265 8.595 12.950 1.00 0.00 WT7 H ATOM 55030 OH2 TIP3 602 0.730 0.084 -3.173 1.00 0.00 WT7 O ATOM 55031 H1 TIP3 602 14.154 0.777 -1.377 1.00 0.00 WT7 H ATOM 55032 H2 TIP3 602 15.286 0.233 -5.352 1.00 0.00 WT7 H ATOM 55033 OH2 TIP3 606 0.363 -1.822 -0.979 1.00 0.00 WT7 O ATOM 55034 H1 TIP3 606 -1.752 -19.485 16.412 1.00 0.00 WT7 H ATOM 55035 H2 TIP3 606 0.745 4.213 -4.982 1.00 0.00 WT7 H ATOM 55036 OH2 TIP3 626 -4.684 -3.351 2.289 1.00 0.00 WT7 O ATOM 55037 H1 TIP3 626 4.048 -14.959 -22.514 1.00 0.00 WT7 H ATOM 55038 H2 TIP3 626 -4.624 -3.837 -12.029 1.00 0.00 WT7 H ATOM 55039 OH2 TIP3 638 5.347 -0.386 7.347 1.00 0.00 WT7 O ATOM 55040 H1 TIP3 638 0.980 2.721 -11.760 1.00 0.00 WT7 H ATOM 55041 H2 TIP3 638 -11.194 -12.297 3.259 1.00 0.00 WT7 H ATOM 55042 OH2 TIP3 639 -4.327 6.017 -2.502 1.00 0.00 WT7 O ATOM 55043 H1 TIP3 639 -10.489 -21.672 23.639 1.00 0.00 WT7 H ATOM 55044 H2 TIP3 639 -9.608 21.517 6.602 1.00 0.00 WT7 H ATOM 55045 OH2 TIP3 649 10.182 -6.346 6.277 1.00 0.00 WT7 O ATOM 55046 H1 TIP3 649 5.052 -24.882 -14.223 1.00 0.00 WT7 H ATOM 55047 H2 TIP3 649 17.332 2.042 5.666 1.00 0.00 WT7 H ATOM 55048 OH2 TIP3 650 1.222 -4.312 -1.280 1.00 0.00 WT7 O ATOM 55049 H1 TIP3 650 2.434 -1.921 -4.280 1.00 0.00 WT7 H ATOM 55050 H2 TIP3 650 -26.877 -18.273 18.882 1.00 0.00 WT7 H ATOM 55051 OH2 TIP3 662 -1.904 -0.250 0.519 1.00 0.00 WT7 O ATOM 55052 H1 TIP3 662 -14.161 -12.888 19.279 1.00 0.00 WT7 H ATOM 55053 H2 TIP3 662 -14.988 7.077 8.239 1.00 0.00 WT7 H ATOM 55054 OH2 TIP3 666 0.747 3.141 0.820 1.00 0.00 WT7 O ATOM 55055 H1 TIP3 666 -9.222 4.318 -11.951 1.00 0.00 WT7 H ATOM 55056 H2 TIP3 666 4.567 0.126 9.527 1.00 0.00 WT7 H ATOM 55057 OH2 TIP3 668 3.817 5.870 -7.975 1.00 0.00 WT7 O ATOM 55058 H1 TIP3 668 25.769 -4.542 0.949 1.00 0.00 WT7 H ATOM 55059 H2 TIP3 668 -6.761 4.947 -7.368 1.00 0.00 WT7 H ATOM 55060 OH2 TIP3 711 1.945 -1.356 -3.087 1.00 0.00 WT7 O ATOM 55061 H1 TIP3 711 0.311 0.667 -0.368 1.00 0.00 WT7 H ATOM 55062 H2 TIP3 711 -5.991 9.572 5.381 1.00 0.00 WT7 H ATOM 55063 OH2 TIP3 822 1.883 -0.434 -5.028 1.00 0.00 WT7 O ATOM 55064 H1 TIP3 822 -2.932 26.719 -16.052 1.00 0.00 WT7 H ATOM 55065 H2 TIP3 822 -2.893 -15.838 -25.188 1.00 0.00 WT7 H ATOM 55066 OH2 TIP3 836 -2.314 11.449 -2.283 1.00 0.00 WT7 O ATOM 55067 H1 TIP3 836 5.192 -11.010 -0.533 1.00 0.00 WT7 H ATOM 55068 H2 TIP3 836 0.739 38.673 -17.299 1.00 0.00 WT7 H ATOM 55069 OH2 TIP3 852 -2.638 -0.023 0.611 1.00 0.00 WT7 O ATOM 55070 H1 TIP3 852 11.130 -5.465 2.395 1.00 0.00 WT7 H ATOM 55071 H2 TIP3 852 -3.584 -8.940 -11.435 1.00 0.00 WT7 H ATOM 55072 OH2 TIP3 854 1.767 -2.948 -4.703 1.00 0.00 WT7 O ATOM 55073 H1 TIP3 854 -19.310 -17.465 1.707 1.00 0.00 WT7 H ATOM 55074 H2 TIP3 854 17.465 7.884 -9.952 1.00 0.00 WT7 H ATOM 55075 OH2 TIP3 860 -1.141 -7.175 -7.891 1.00 0.00 WT7 O ATOM 55076 H1 TIP3 860 -3.352 -1.866 -17.521 1.00 0.00 WT7 H ATOM 55077 H2 TIP3 860 -2.671 -2.895 -0.649 1.00 0.00 WT7 H ATOM 55078 OH2 TIP3 889 -4.319 5.956 -0.426 1.00 0.00 WT7 O ATOM 55079 H1 TIP3 889 -0.417 11.209 -7.718 1.00 0.00 WT7 H ATOM 55080 H2 TIP3 889 6.297 -6.086 3.107 1.00 0.00 WT7 H ATOM 55081 OH2 TIP3 892 2.821 -5.845 5.936 1.00 0.00 WT7 O ATOM 55082 H1 TIP3 892 7.840 -5.737 4.873 1.00 0.00 WT7 H ATOM 55083 H2 TIP3 892 -5.160 -6.421 5.800 1.00 0.00 WT7 H ATOM 55084 OH2 TIP3 895 0.677 3.604 -0.368 1.00 0.00 WT7 O ATOM 55085 H1 TIP3 895 -12.756 -2.837 -9.752 1.00 0.00 WT7 H ATOM 55086 H2 TIP3 895 6.589 3.173 18.516 1.00 0.00 WT7 H ATOM 55087 OH2 TIP3 908 -2.960 -1.167 6.803 1.00 0.00 WT7 O ATOM 55088 H1 TIP3 908 -7.824 -6.484 8.091 1.00 0.00 WT7 H ATOM 55089 H2 TIP3 908 -0.628 -2.398 -0.498 1.00 0.00 WT7 H ATOM 55090 OH2 TIP3 919 -0.711 -8.878 -0.548 1.00 0.00 WT7 O ATOM 55091 H1 TIP3 919 -6.495 23.055 -20.090 1.00 0.00 WT7 H ATOM 55092 H2 TIP3 919 15.444 4.215 7.909 1.00 0.00 WT7 H ATOM 55093 OH2 TIP3 928 -2.975 7.793 -10.177 1.00 0.00 WT7 O ATOM 55094 H1 TIP3 928 12.812 12.325 -16.270 1.00 0.00 WT7 H ATOM 55095 H2 TIP3 928 -12.192 -10.623 -0.178 1.00 0.00 WT7 H ATOM 55096 OH2 TIP3 930 -2.156 -4.901 -2.028 1.00 0.00 WT7 O ATOM 55097 H1 TIP3 930 -9.960 -6.234 4.057 1.00 0.00 WT7 H ATOM 55098 H2 TIP3 930 -13.526 -11.698 -12.442 1.00 0.00 WT7 H ATOM 55099 OH2 TIP3 933 -2.282 4.520 6.172 1.00 0.00 WT7 O ATOM 55100 H1 TIP3 933 -4.174 -7.978 15.813 1.00 0.00 WT7 H ATOM 55101 H2 TIP3 933 10.976 18.199 -3.175 1.00 0.00 WT7 H ATOM 55102 OH2 TIP3 936 1.529 3.720 3.773 1.00 0.00 WT7 O ATOM 55103 H1 TIP3 936 -11.709 -10.576 5.915 1.00 0.00 WT7 H ATOM 55104 H2 TIP3 936 1.856 -3.272 -1.578 1.00 0.00 WT7 H ATOM 55105 OH2 TIP3 940 4.136 -2.895 1.175 1.00 0.00 WT7 O ATOM 55106 H1 TIP3 940 -1.593 8.973 -24.067 1.00 0.00 WT7 H ATOM 55107 H2 TIP3 940 -6.744 12.452 -2.227 1.00 0.00 WT7 H ATOM 55108 OH2 TIP3 944 -3.177 5.342 0.358 1.00 0.00 WT7 O ATOM 55109 H1 TIP3 944 -6.163 -11.669 -1.505 1.00 0.00 WT7 H ATOM 55110 H2 TIP3 944 10.474 7.660 -1.599 1.00 0.00 WT7 H ATOM 55111 OH2 TIP3 954 2.877 -2.397 0.167 1.00 0.00 WT7 O ATOM 55112 H1 TIP3 954 -5.400 -5.846 13.308 1.00 0.00 WT7 H ATOM 55113 H2 TIP3 954 33.133 3.281 -9.976 1.00 0.00 WT7 H ATOM 55114 OH2 TIP3 958 5.123 -0.774 0.624 1.00 0.00 WT7 O ATOM 55115 H1 TIP3 958 -7.250 4.797 4.080 1.00 0.00 WT7 H ATOM 55116 H2 TIP3 958 1.955 -2.206 -9.345 1.00 0.00 WT7 H ATOM 55117 OH2 TIP3 960 -6.070 4.186 -1.270 1.00 0.00 WT7 O ATOM 55118 H1 TIP3 960 -1.672 -3.937 -2.801 1.00 0.00 WT7 H ATOM 55119 H2 TIP3 960 -4.008 -13.664 -13.474 1.00 0.00 WT7 H ATOM 55120 OH2 TIP3 978 -2.732 -2.967 -3.981 1.00 0.00 WT7 O ATOM 55121 H1 TIP3 978 -6.225 -11.152 7.491 1.00 0.00 WT7 H ATOM 55122 H2 TIP3 978 -11.285 4.590 -7.946 1.00 0.00 WT7 H ATOM 55123 OH2 TIP3 981 1.579 7.203 0.060 1.00 0.00 WT7 O ATOM 55124 H1 TIP3 981 8.504 14.479 -19.259 1.00 0.00 WT7 H ATOM 55125 H2 TIP3 981 0.797 -5.275 -11.051 1.00 0.00 WT7 H ATOM 55126 OH2 TIP3 982 -0.557 3.901 -3.782 1.00 0.00 WT7 O ATOM 55127 H1 TIP3 982 -2.183 12.132 -2.446 1.00 0.00 WT7 H ATOM 55128 H2 TIP3 982 -19.498 0.627 -7.459 1.00 0.00 WT7 H ATOM 55129 OH2 TIP3 983 -2.498 5.978 -1.147 1.00 0.00 WT7 O ATOM 55130 H1 TIP3 983 -4.146 3.947 0.008 1.00 0.00 WT7 H ATOM 55131 H2 TIP3 983 -4.906 5.218 -2.126 1.00 0.00 WT7 H ATOM 55132 OH2 TIP3 986 -2.107 -1.462 0.090 1.00 0.00 WT7 O ATOM 55133 H1 TIP3 986 -5.781 -12.656 -18.946 1.00 0.00 WT7 H ATOM 55134 H2 TIP3 986 -15.965 -7.353 -19.908 1.00 0.00 WT7 H ATOM 55135 OH2 TIP3 993 5.553 -0.898 -2.840 1.00 0.00 WT7 O ATOM 55136 H1 TIP3 993 8.806 -13.832 2.782 1.00 0.00 WT7 H ATOM 55137 H2 TIP3 993 4.544 -3.805 -12.814 1.00 0.00 WT7 H ATOM 55138 OH2 TIP3 999 6.710 -1.545 3.008 1.00 0.00 WT7 O ATOM 55139 H1 TIP3 999 8.870 -0.263 -3.574 1.00 0.00 WT7 H ATOM 55140 H2 TIP3 999 0.680 -7.023 20.025 1.00 0.00 WT7 H ATOM 55141 OH2 TIP3 1013 -2.235 -1.900 3.956 1.00 0.00 WT7 O ATOM 55142 H1 TIP3 1013 -7.252 0.913 -2.262 1.00 0.00 WT7 H ATOM 55143 H2 TIP3 1013 -8.957 -18.410 17.330 1.00 0.00 WT7 H ATOM 55144 OH2 TIP3 1018 4.432 1.346 -1.344 1.00 0.00 WT7 O ATOM 55145 H1 TIP3 1018 11.619 -5.524 3.381 1.00 0.00 WT7 H ATOM 55146 H2 TIP3 1018 0.935 3.768 -4.594 1.00 0.00 WT7 H ATOM 55147 OH2 TIP3 1019 -2.834 2.801 4.928 1.00 0.00 WT7 O ATOM 55148 H1 TIP3 1019 6.810 -1.843 -0.640 1.00 0.00 WT7 H ATOM 55149 H2 TIP3 1019 -8.402 4.701 23.000 1.00 0.00 WT7 H ATOM 55150 OH2 TIP3 1024 0.332 -5.957 4.563 1.00 0.00 WT7 O ATOM 55151 H1 TIP3 1024 4.416 -24.681 9.799 1.00 0.00 WT7 H ATOM 55152 H2 TIP3 1024 0.683 0.681 -1.373 1.00 0.00 WT7 H ATOM 55153 OH2 TIP3 1025 0.001 -3.629 -5.817 1.00 0.00 WT7 O ATOM 55154 H1 TIP3 1025 32.672 6.919 -9.442 1.00 0.00 WT7 H ATOM 55155 H2 TIP3 1025 -5.929 8.782 3.157 1.00 0.00 WT7 H ATOM 55156 OH2 TIP3 1043 4.126 -4.239 5.967 1.00 0.00 WT7 O ATOM 55157 H1 TIP3 1043 9.409 -1.815 5.339 1.00 0.00 WT7 H ATOM 55158 H2 TIP3 1043 -2.508 -6.589 6.095 1.00 0.00 WT7 H ATOM 55159 OH2 TIP3 1048 2.334 -2.810 1.946 1.00 0.00 WT7 O ATOM 55160 H1 TIP3 1048 9.676 -25.868 10.217 1.00 0.00 WT7 H ATOM 55161 H2 TIP3 1048 10.093 -6.521 -26.461 1.00 0.00 WT7 H ATOM 55162 OH2 TIP3 1052 3.281 -2.390 -1.173 1.00 0.00 WT7 O ATOM 55163 H1 TIP3 1052 6.946 2.990 8.564 1.00 0.00 WT7 H ATOM 55164 H2 TIP3 1052 5.040 0.583 5.535 1.00 0.00 WT7 H ATOM 55165 OH2 TIP3 1061 -3.374 -5.298 -1.364 1.00 0.00 WT7 O ATOM 55166 H1 TIP3 1061 -9.808 1.207 7.993 1.00 0.00 WT7 H ATOM 55167 H2 TIP3 1061 -10.965 -2.463 -0.317 1.00 0.00 WT7 H ATOM 55168 OH2 TIP3 1071 -1.447 -3.106 -0.026 1.00 0.00 WT7 O ATOM 55169 H1 TIP3 1071 11.804 17.244 -16.048 1.00 0.00 WT7 H ATOM 55170 H2 TIP3 1071 2.225 2.151 -17.860 1.00 0.00 WT7 H ATOM 55171 OH2 TIP3 1076 -0.584 1.958 2.811 1.00 0.00 WT7 O ATOM 55172 H1 TIP3 1076 -3.656 1.804 -1.982 1.00 0.00 WT7 H ATOM 55173 H2 TIP3 1076 -0.828 3.249 5.240 1.00 0.00 WT7 H ATOM 55174 OH2 TIP3 1098 5.070 -6.798 -4.247 1.00 0.00 WT7 O ATOM 55175 H1 TIP3 1098 11.171 -11.873 -2.154 1.00 0.00 WT7 H ATOM 55176 H2 TIP3 1098 -5.367 0.407 -8.326 1.00 0.00 WT7 H ATOM 55177 OH2 TIP3 1122 0.822 6.858 6.492 1.00 0.00 WT7 O ATOM 55178 H1 TIP3 1122 -24.216 2.999 -3.035 1.00 0.00 WT7 H ATOM 55179 H2 TIP3 1122 14.785 -12.819 -4.134 1.00 0.00 WT7 H ATOM 55180 OH2 TIP3 1138 7.580 6.549 -11.497 1.00 0.00 WT7 O ATOM 55181 H1 TIP3 1138 16.855 -7.788 -11.608 1.00 0.00 WT7 H ATOM 55182 H2 TIP3 1138 -8.896 12.734 -15.943 1.00 0.00 WT7 H ATOM 55183 OH2 TIP3 1253 -0.054 -5.834 3.237 1.00 0.00 WT7 O ATOM 55184 H1 TIP3 1253 8.408 -2.612 1.987 1.00 0.00 WT7 H ATOM 55185 H2 TIP3 1253 24.770 1.590 2.175 1.00 0.00 WT7 H ATOM 55186 OH2 TIP3 1298 8.984 -2.466 -1.936 1.00 0.00 WT7 O ATOM 55187 H1 TIP3 1298 19.781 16.629 19.061 1.00 0.00 WT7 H ATOM 55188 H2 TIP3 1298 -0.189 24.424 19.784 1.00 0.00 WT7 H ATOM 55189 OH2 TIP3 1301 0.221 1.981 0.185 1.00 0.00 WT7 O ATOM 55190 H1 TIP3 1301 9.223 -2.890 10.607 1.00 0.00 WT7 H ATOM 55191 H2 TIP3 1301 -2.594 1.460 -1.550 1.00 0.00 WT7 H ATOM 55192 OH2 TIP3 1354 -1.437 -0.184 -1.236 1.00 0.00 WT7 O ATOM 55193 H1 TIP3 1354 -16.757 8.491 -0.294 1.00 0.00 WT7 H ATOM 55194 H2 TIP3 1354 -8.479 -14.973 -2.108 1.00 0.00 WT7 H ATOM 55195 OH2 TIP3 1370 0.029 -4.512 -0.642 1.00 0.00 WT7 O ATOM 55196 H1 TIP3 1370 2.731 -15.856 -1.664 1.00 0.00 WT7 H ATOM 55197 H2 TIP3 1370 20.039 -2.638 -25.265 1.00 0.00 WT7 H ATOM 55198 OH2 TIP3 1381 -4.735 -5.031 3.667 1.00 0.00 WT7 O ATOM 55199 H1 TIP3 1381 6.102 -10.048 -5.788 1.00 0.00 WT7 H ATOM 55200 H2 TIP3 1381 7.088 -18.459 1.025 1.00 0.00 WT7 H ATOM 55201 OH2 TIP3 1382 -6.976 -4.745 2.063 1.00 0.00 WT7 O ATOM 55202 H1 TIP3 1382 -10.230 -0.983 10.230 1.00 0.00 WT7 H ATOM 55203 H2 TIP3 1382 -9.548 21.102 17.356 1.00 0.00 WT7 H ATOM 55204 OH2 TIP3 1383 -5.238 -6.170 -2.691 1.00 0.00 WT7 O ATOM 55205 H1 TIP3 1383 -4.775 -20.283 -1.040 1.00 0.00 WT7 H ATOM 55206 H2 TIP3 1383 -7.859 -6.864 6.680 1.00 0.00 WT7 H ATOM 55207 OH2 TIP3 1387 3.561 2.032 -3.192 1.00 0.00 WT7 O ATOM 55208 H1 TIP3 1387 4.676 1.973 -8.134 1.00 0.00 WT7 H ATOM 55209 H2 TIP3 1387 -6.006 -6.483 26.473 1.00 0.00 WT7 H ATOM 55210 OH2 TIP3 1395 -3.484 -1.216 -1.471 1.00 0.00 WT7 O ATOM 55211 H1 TIP3 1395 -9.526 -20.215 9.339 1.00 0.00 WT7 H ATOM 55212 H2 TIP3 1395 -5.626 14.054 -10.269 1.00 0.00 WT7 H ATOM 55213 OH2 TIP3 1399 6.062 8.644 -2.018 1.00 0.00 WT7 O ATOM 55214 H1 TIP3 1399 20.098 -2.244 14.259 1.00 0.00 WT7 H ATOM 55215 H2 TIP3 1399 -6.288 -12.087 -14.859 1.00 0.00 WT7 H ATOM 55216 OH2 TIP3 1401 1.088 2.252 -5.269 1.00 0.00 WT7 O ATOM 55217 H1 TIP3 1401 -2.385 6.095 7.624 1.00 0.00 WT7 H ATOM 55218 H2 TIP3 1401 7.080 4.087 -3.578 1.00 0.00 WT7 H ATOM 55219 OH2 TIP3 1408 1.823 -2.477 3.829 1.00 0.00 WT7 O ATOM 55220 H1 TIP3 1408 19.025 2.687 -11.701 1.00 0.00 WT7 H ATOM 55221 H2 TIP3 1408 2.854 -10.043 4.383 1.00 0.00 WT7 H ATOM 55222 OH2 TIP3 1409 1.227 5.956 -2.442 1.00 0.00 WT7 O ATOM 55223 H1 TIP3 1409 4.649 2.737 -0.066 1.00 0.00 WT7 H ATOM 55224 H2 TIP3 1409 -5.020 20.508 17.772 1.00 0.00 WT7 H ATOM 55225 OH2 TIP3 1414 4.608 3.597 8.624 1.00 0.00 WT7 O ATOM 55226 H1 TIP3 1414 -3.398 6.354 2.711 1.00 0.00 WT7 H ATOM 55227 H2 TIP3 1414 4.132 -0.902 16.988 1.00 0.00 WT7 H ATOM 55228 OH2 TIP3 1429 -3.023 2.993 6.064 1.00 0.00 WT7 O ATOM 55229 H1 TIP3 1429 -10.968 -2.730 7.883 1.00 0.00 WT7 H ATOM 55230 H2 TIP3 1429 -3.795 10.800 2.102 1.00 0.00 WT7 H ATOM 55231 OH2 TIP3 1433 2.047 6.879 -0.253 1.00 0.00 WT7 O ATOM 55232 H1 TIP3 1433 -7.743 -1.948 -7.366 1.00 0.00 WT7 H ATOM 55233 H2 TIP3 1433 11.208 2.604 4.367 1.00 0.00 WT7 H ATOM 55234 OH2 TIP3 1436 2.159 5.338 -0.467 1.00 0.00 WT7 O ATOM 55235 H1 TIP3 1436 10.015 -1.623 -4.098 1.00 0.00 WT7 H ATOM 55236 H2 TIP3 1436 19.139 -35.763 -27.380 1.00 0.00 WT7 H ATOM 55237 OH2 TIP3 1440 -2.406 -1.900 -2.046 1.00 0.00 WT7 O ATOM 55238 H1 TIP3 1440 -42.559 -4.465 -10.472 1.00 0.00 WT7 H ATOM 55239 H2 TIP3 1440 -0.967 1.255 -24.493 1.00 0.00 WT7 H ATOM 55240 OH2 TIP3 1445 0.845 1.214 -0.108 1.00 0.00 WT7 O ATOM 55241 H1 TIP3 1445 2.548 1.350 19.232 1.00 0.00 WT7 H ATOM 55242 H2 TIP3 1445 -9.259 7.578 6.216 1.00 0.00 WT7 H ATOM 55243 OH2 TIP3 1451 0.718 1.278 6.068 1.00 0.00 WT7 O ATOM 55244 H1 TIP3 1451 -2.152 13.955 13.018 1.00 0.00 WT7 H ATOM 55245 H2 TIP3 1451 -39.480 7.097 34.413 1.00 0.00 WT7 H ATOM 55246 OH2 TIP3 1459 9.062 -1.379 -7.429 1.00 0.00 WT7 O ATOM 55247 H1 TIP3 1459 16.700 13.085 16.100 1.00 0.00 WT7 H ATOM 55248 H2 TIP3 1459 46.876 -21.476 -18.224 1.00 0.00 WT7 H ATOM 55249 OH2 TIP3 1476 -0.446 0.906 1.467 1.00 0.00 WT7 O ATOM 55250 H1 TIP3 1476 -0.859 -4.031 -0.521 1.00 0.00 WT7 H ATOM 55251 H2 TIP3 1476 -0.478 2.126 7.836 1.00 0.00 WT7 H ATOM 55252 OH2 TIP3 1480 1.980 -0.671 -5.693 1.00 0.00 WT7 O ATOM 55253 H1 TIP3 1480 -8.957 -0.760 -7.957 1.00 0.00 WT7 H ATOM 55254 H2 TIP3 1480 2.376 7.773 -1.195 1.00 0.00 WT7 H ATOM 55255 OH2 TIP3 1486 4.116 -0.208 3.141 1.00 0.00 WT7 O ATOM 55256 H1 TIP3 1486 8.377 0.869 -5.687 1.00 0.00 WT7 H ATOM 55257 H2 TIP3 1486 -3.996 -0.332 19.489 1.00 0.00 WT7 H ATOM 55258 OH2 TIP3 1509 -6.039 0.199 0.337 1.00 0.00 WT7 O ATOM 55259 H1 TIP3 1509 -17.294 1.849 20.303 1.00 0.00 WT7 H ATOM 55260 H2 TIP3 1509 -21.340 -1.182 -1.699 1.00 0.00 WT7 H ATOM 55261 OH2 TIP3 1518 -1.595 -1.714 4.043 1.00 0.00 WT7 O ATOM 55262 H1 TIP3 1518 13.874 1.799 11.340 1.00 0.00 WT7 H ATOM 55263 H2 TIP3 1518 3.732 -3.343 -36.575 1.00 0.00 WT7 H ATOM 55264 OH2 TIP3 1524 0.412 -4.881 -1.677 1.00 0.00 WT7 O ATOM 55265 H1 TIP3 1524 -0.580 27.695 1.546 1.00 0.00 WT7 H ATOM 55266 H2 TIP3 1524 36.243 -12.377 -1.540 1.00 0.00 WT7 H ATOM 55267 OH2 TIP3 1573 3.171 -4.082 -0.078 1.00 0.00 WT7 O ATOM 55268 H1 TIP3 1573 -6.518 11.042 -10.760 1.00 0.00 WT7 H ATOM 55269 H2 TIP3 1573 17.056 -10.041 -3.760 1.00 0.00 WT7 H ATOM 55270 OH2 TIP3 1592 -1.418 2.475 1.416 1.00 0.00 WT7 O ATOM 55271 H1 TIP3 1592 -16.886 0.978 -29.813 1.00 0.00 WT7 H ATOM 55272 H2 TIP3 1592 -9.199 -0.889 -9.674 1.00 0.00 WT7 H ATOM 55273 OH2 TIP3 1618 -1.346 6.131 -7.660 1.00 0.00 WT7 O ATOM 55274 H1 TIP3 1618 -9.586 -9.515 1.262 1.00 0.00 WT7 H ATOM 55275 H2 TIP3 1618 19.681 8.759 1.554 1.00 0.00 WT7 H ATOM 55276 OH2 TIP3 1725 -2.088 -2.909 0.856 1.00 0.00 WT7 O ATOM 55277 H1 TIP3 1725 16.686 0.505 -21.690 1.00 0.00 WT7 H ATOM 55278 H2 TIP3 1725 13.548 -20.836 10.486 1.00 0.00 WT7 H ATOM 55279 OH2 TIP3 1733 -0.053 1.475 -0.417 1.00 0.00 WT7 O ATOM 55280 H1 TIP3 1733 6.417 -0.853 12.021 1.00 0.00 WT7 H ATOM 55281 H2 TIP3 1733 -7.922 7.520 -5.744 1.00 0.00 WT7 H ATOM 55282 OH2 TIP3 1771 -6.475 1.191 -2.208 1.00 0.00 WT7 O ATOM 55283 H1 TIP3 1771 2.335 -11.005 1.005 1.00 0.00 WT7 H ATOM 55284 H2 TIP3 1771 -8.241 6.072 13.101 1.00 0.00 WT7 H ATOM 55285 OH2 TIP3 1775 4.214 -5.210 -2.822 1.00 0.00 WT7 O ATOM 55286 H1 TIP3 1775 2.840 -17.113 0.869 1.00 0.00 WT7 H ATOM 55287 H2 TIP3 1775 5.895 14.168 -6.003 1.00 0.00 WT7 H ATOM 55288 OH2 TIP3 1778 5.820 1.143 3.815 1.00 0.00 WT7 O ATOM 55289 H1 TIP3 1778 5.209 -9.150 -6.796 1.00 0.00 WT7 H ATOM 55290 H2 TIP3 1778 -9.884 -4.086 10.020 1.00 0.00 WT7 H ATOM 55291 OH2 TIP3 1779 -0.310 2.155 -5.143 1.00 0.00 WT7 O ATOM 55292 H1 TIP3 1779 0.567 -18.517 11.402 1.00 0.00 WT7 H ATOM 55293 H2 TIP3 1779 14.375 5.923 6.190 1.00 0.00 WT7 H ATOM 55294 OH2 TIP3 1812 4.038 2.546 -3.829 1.00 0.00 WT7 O ATOM 55295 H1 TIP3 1812 -6.911 7.619 27.618 1.00 0.00 WT7 H ATOM 55296 H2 TIP3 1812 -4.266 -8.256 2.514 1.00 0.00 WT7 H ATOM 55297 OH2 TIP3 1849 -0.631 2.796 -2.604 1.00 0.00 WT7 O ATOM 55298 H1 TIP3 1849 -12.285 -11.177 -10.402 1.00 0.00 WT7 H ATOM 55299 H2 TIP3 1849 -8.823 0.931 -6.578 1.00 0.00 WT7 H ATOM 55300 OH2 TIP3 1853 -0.481 2.646 -0.465 1.00 0.00 WT7 O ATOM 55301 H1 TIP3 1853 -6.285 -7.826 26.616 1.00 0.00 WT7 H ATOM 55302 H2 TIP3 1853 19.975 -29.699 -6.398 1.00 0.00 WT7 H ATOM 55303 OH2 TIP3 1858 -1.955 -3.255 -2.572 1.00 0.00 WT7 O ATOM 55304 H1 TIP3 1858 1.763 -9.934 -37.617 1.00 0.00 WT7 H ATOM 55305 H2 TIP3 1858 0.253 2.964 11.217 1.00 0.00 WT7 H ATOM 55306 OH2 TIP3 1859 5.333 -5.095 -4.999 1.00 0.00 WT7 O ATOM 55307 H1 TIP3 1859 10.162 21.607 4.056 1.00 0.00 WT7 H ATOM 55308 H2 TIP3 1859 -16.695 -13.518 12.220 1.00 0.00 WT7 H ATOM 55309 OH2 TIP3 1864 -1.647 3.664 0.687 1.00 0.00 WT7 O ATOM 55310 H1 TIP3 1864 8.312 -14.222 5.860 1.00 0.00 WT7 H ATOM 55311 H2 TIP3 1864 -16.256 5.456 6.414 1.00 0.00 WT7 H ATOM 55312 OH2 TIP3 1879 4.437 0.904 1.343 1.00 0.00 WT7 O ATOM 55313 H1 TIP3 1879 -1.406 -3.890 -4.032 1.00 0.00 WT7 H ATOM 55314 H2 TIP3 1879 -6.821 7.298 -18.919 1.00 0.00 WT7 H ATOM 55315 OH2 TIP3 1880 0.549 0.253 0.387 1.00 0.00 WT7 O ATOM 55316 H1 TIP3 1880 -4.567 7.388 9.273 1.00 0.00 WT7 H ATOM 55317 H2 TIP3 1880 13.853 9.230 5.106 1.00 0.00 WT7 H ATOM 55318 OH2 TIP3 1882 0.859 -2.138 1.478 1.00 0.00 WT7 O ATOM 55319 H1 TIP3 1882 9.028 -2.708 -13.326 1.00 0.00 WT7 H ATOM 55320 H2 TIP3 1882 -15.471 2.327 19.213 1.00 0.00 WT7 H ATOM 55321 OH2 TIP3 1897 -2.135 0.718 4.292 1.00 0.00 WT7 O ATOM 55322 H1 TIP3 1897 18.991 -9.709 0.616 1.00 0.00 WT7 H ATOM 55323 H2 TIP3 1897 3.198 16.007 4.871 1.00 0.00 WT7 H ATOM 55324 OH2 TIP3 1898 -2.105 -1.921 -3.005 1.00 0.00 WT7 O ATOM 55325 H1 TIP3 1898 -7.856 19.756 13.175 1.00 0.00 WT7 H ATOM 55326 H2 TIP3 1898 -25.609 -21.694 0.751 1.00 0.00 WT7 H ATOM 55327 OH2 TIP3 1925 -4.480 -8.669 2.981 1.00 0.00 WT7 O ATOM 55328 H1 TIP3 1925 18.087 9.879 -7.671 1.00 0.00 WT7 H ATOM 55329 H2 TIP3 1925 -6.740 -4.333 14.569 1.00 0.00 WT7 H ATOM 55330 OH2 TIP3 1949 10.757 0.874 4.581 1.00 0.00 WT7 O ATOM 55331 H1 TIP3 1949 37.922 0.265 -13.328 1.00 0.00 WT7 H ATOM 55332 H2 TIP3 1949 -14.677 -23.209 -8.126 1.00 0.00 WT7 H ATOM 55333 OH2 TIP3 1960 5.418 2.795 2.820 1.00 0.00 WT7 O ATOM 55334 H1 TIP3 1960 10.864 5.056 -1.289 1.00 0.00 WT7 H ATOM 55335 H2 TIP3 1960 -6.352 -1.754 -2.638 1.00 0.00 WT7 H ATOM 55336 OH2 TIP3 1965 1.042 -4.750 -0.514 1.00 0.00 WT7 O ATOM 55337 H1 TIP3 1965 19.226 -1.329 -13.767 1.00 0.00 WT7 H ATOM 55338 H2 TIP3 1965 8.779 0.604 -12.054 1.00 0.00 WT7 H ATOM 55339 OH2 TIP3 1994 2.738 -8.777 1.420 1.00 0.00 WT7 O ATOM 55340 H1 TIP3 1994 0.877 -5.501 24.600 1.00 0.00 WT7 H ATOM 55341 H2 TIP3 1994 -15.913 8.502 5.130 1.00 0.00 WT7 H ATOM 55342 OH2 TIP3 2127 0.154 -3.137 -4.954 1.00 0.00 WT7 O ATOM 55343 H1 TIP3 2127 0.833 8.642 11.448 1.00 0.00 WT7 H ATOM 55344 H2 TIP3 2127 -19.581 -5.221 -11.995 1.00 0.00 WT7 H ATOM 55345 OH2 TIP3 2231 -5.068 -2.056 -1.807 1.00 0.00 WT7 O ATOM 55346 H1 TIP3 2231 3.100 -6.785 -11.629 1.00 0.00 WT7 H ATOM 55347 H2 TIP3 2231 -20.975 -1.303 2.702 1.00 0.00 WT7 H ATOM 55348 OH2 TIP3 2236 -3.401 -2.755 4.520 1.00 0.00 WT7 O ATOM 55349 H1 TIP3 2236 5.772 -24.388 -7.857 1.00 0.00 WT7 H ATOM 55350 H2 TIP3 2236 16.203 -17.697 -1.396 1.00 0.00 WT7 H ATOM 55351 OH2 TIP3 2268 6.733 -1.265 -5.136 1.00 0.00 WT7 O ATOM 55352 H1 TIP3 2268 12.319 10.628 -13.889 1.00 0.00 WT7 H ATOM 55353 H2 TIP3 2268 3.775 -4.964 -9.411 1.00 0.00 WT7 H ATOM 55354 OH2 TIP3 2270 -1.178 0.989 -1.499 1.00 0.00 WT7 O ATOM 55355 H1 TIP3 2270 -8.176 -1.905 -7.894 1.00 0.00 WT7 H ATOM 55356 H2 TIP3 2270 -2.224 2.156 9.520 1.00 0.00 WT7 H ATOM 55357 OH2 TIP3 2282 8.447 3.458 -0.863 1.00 0.00 WT7 O ATOM 55358 H1 TIP3 2282 -8.669 9.024 -7.063 1.00 0.00 WT7 H ATOM 55359 H2 TIP3 2282 4.618 5.728 -0.609 1.00 0.00 WT7 H ATOM 55360 OH2 TIP3 2288 -0.378 -0.318 1.510 1.00 0.00 WT7 O ATOM 55361 H1 TIP3 2288 -8.552 -26.649 7.126 1.00 0.00 WT7 H ATOM 55362 H2 TIP3 2288 -10.838 -16.290 7.763 1.00 0.00 WT7 H ATOM 55363 OH2 TIP3 2293 11.745 2.265 2.938 1.00 0.00 WT7 O ATOM 55364 H1 TIP3 2293 1.599 9.596 5.234 1.00 0.00 WT7 H ATOM 55365 H2 TIP3 2293 -12.027 25.358 14.497 1.00 0.00 WT7 H ATOM 55366 OH2 TIP3 2317 -1.500 -5.172 -0.571 1.00 0.00 WT7 O ATOM 55367 H1 TIP3 2317 -22.688 9.094 17.071 1.00 0.00 WT7 H ATOM 55368 H2 TIP3 2317 10.229 -2.096 0.426 1.00 0.00 WT7 H ATOM 55369 OH2 TIP3 2324 0.307 -10.212 -0.120 1.00 0.00 WT7 O ATOM 55370 H1 TIP3 2324 7.738 -0.818 -4.643 1.00 0.00 WT7 H ATOM 55371 H2 TIP3 2324 -3.262 -11.121 15.696 1.00 0.00 WT7 H ATOM 55372 OH2 TIP3 2327 5.212 5.565 3.733 1.00 0.00 WT7 O ATOM 55373 H1 TIP3 2327 3.453 4.959 -3.119 1.00 0.00 WT7 H ATOM 55374 H2 TIP3 2327 -10.452 8.646 3.292 1.00 0.00 WT7 H ATOM 55375 OH2 TIP3 2357 -2.480 4.868 -0.693 1.00 0.00 WT7 O ATOM 55376 H1 TIP3 2357 -6.350 -1.066 -4.198 1.00 0.00 WT7 H ATOM 55377 H2 TIP3 2357 -9.325 8.213 4.537 1.00 0.00 WT7 H ATOM 55378 OH2 TIP3 2358 -0.394 -1.522 -2.139 1.00 0.00 WT7 O ATOM 55379 H1 TIP3 2358 -6.047 -4.597 -0.913 1.00 0.00 WT7 H ATOM 55380 H2 TIP3 2358 5.385 2.045 -3.906 1.00 0.00 WT7 H ATOM 55381 OH2 TIP3 2408 -4.123 5.667 5.610 1.00 0.00 WT7 O ATOM 55382 H1 TIP3 2408 -26.213 7.445 12.724 1.00 0.00 WT7 H ATOM 55383 H2 TIP3 2408 4.842 4.641 1.568 1.00 0.00 WT7 H ATOM 55384 OH2 TIP3 2411 -0.531 -0.354 2.240 1.00 0.00 WT7 O ATOM 55385 H1 TIP3 2411 4.058 2.965 20.433 1.00 0.00 WT7 H ATOM 55386 H2 TIP3 2411 -1.592 -8.322 -3.899 1.00 0.00 WT7 H ATOM 55387 OH2 TIP3 2629 1.408 -2.753 -3.104 1.00 0.00 WT7 O ATOM 55388 H1 TIP3 2629 12.133 0.411 -1.336 1.00 0.00 WT7 H ATOM 55389 H2 TIP3 2629 0.510 4.144 1.405 1.00 0.00 WT7 H ATOM 55390 OH2 TIP3 2644 0.915 -1.048 0.359 1.00 0.00 WT7 O ATOM 55391 H1 TIP3 2644 2.241 -8.905 17.355 1.00 0.00 WT7 H ATOM 55392 H2 TIP3 2644 -3.613 9.688 -16.432 1.00 0.00 WT7 H ATOM 55393 OH2 TIP3 2705 -2.214 -1.234 0.548 1.00 0.00 WT7 O ATOM 55394 H1 TIP3 2705 6.271 22.829 19.921 1.00 0.00 WT7 H ATOM 55395 H2 TIP3 2705 -6.881 -3.455 -18.811 1.00 0.00 WT7 H ATOM 55396 OH2 TIP3 2714 -1.650 -1.588 -1.196 1.00 0.00 WT7 O ATOM 55397 H1 TIP3 2714 16.333 3.201 1.510 1.00 0.00 WT7 H ATOM 55398 H2 TIP3 2714 7.670 13.654 10.252 1.00 0.00 WT7 H ATOM 55399 OH2 TIP3 2759 4.073 -1.510 -6.018 1.00 0.00 WT7 O ATOM 55400 H1 TIP3 2759 6.787 -2.434 -13.712 1.00 0.00 WT7 H ATOM 55401 H2 TIP3 2759 -6.179 -22.978 0.964 1.00 0.00 WT7 H ATOM 55402 OH2 TIP3 2780 1.743 1.551 0.491 1.00 0.00 WT7 O ATOM 55403 H1 TIP3 2780 7.370 -4.832 1.069 1.00 0.00 WT7 H ATOM 55404 H2 TIP3 2780 15.830 -8.997 0.182 1.00 0.00 WT7 H ATOM 55405 OH2 TIP3 2855 -7.395 0.340 -0.693 1.00 0.00 WT7 O ATOM 55406 H1 TIP3 2855 8.811 19.804 13.145 1.00 0.00 WT7 H ATOM 55407 H2 TIP3 2855 11.247 18.453 13.479 1.00 0.00 WT7 H ATOM 55408 OH2 TIP3 2872 -5.728 5.598 -4.408 1.00 0.00 WT7 O ATOM 55409 H1 TIP3 2872 -12.801 33.280 -5.151 1.00 0.00 WT7 H ATOM 55410 H2 TIP3 2872 -22.855 -11.705 19.384 1.00 0.00 WT7 H ATOM 55411 OH2 TIP3 2895 -0.631 4.344 0.628 1.00 0.00 WT7 O ATOM 55412 H1 TIP3 2895 -12.057 11.297 5.164 1.00 0.00 WT7 H ATOM 55413 H2 TIP3 2895 -6.804 11.608 1.472 1.00 0.00 WT7 H ATOM 55414 OH2 TIP3 3287 -0.674 -5.090 3.398 1.00 0.00 WT7 O ATOM 55415 H1 TIP3 3287 -0.191 -6.683 2.072 1.00 0.00 WT7 H ATOM 55416 H2 TIP3 3287 4.544 -10.612 -0.996 1.00 0.00 WT7 H ATOM 55417 OH2 TIP3 3294 7.263 4.634 1.368 1.00 0.00 WT7 O ATOM 55418 H1 TIP3 3294 5.719 1.648 -5.848 1.00 0.00 WT7 H ATOM 55419 H2 TIP3 3294 15.149 17.736 26.671 1.00 0.00 WT7 H ATOM 55420 OH2 TIP3 3521 1.940 -0.438 -1.481 1.00 0.00 WT7 O ATOM 55421 H1 TIP3 3521 28.111 -20.713 12.700 1.00 0.00 WT7 H ATOM 55422 H2 TIP3 3521 3.061 -3.541 -0.360 1.00 0.00 WT7 H ATOM 55423 OH2 TIP3 3665 0.982 2.992 -0.759 1.00 0.00 WT7 O ATOM 55424 H1 TIP3 3665 -12.407 12.438 8.748 1.00 0.00 WT7 H ATOM 55425 H2 TIP3 3665 -3.591 8.227 2.977 1.00 0.00 WT7 H ATOM 55426 OH2 TIP3 5421 0.676 -1.189 0.222 1.00 0.00 WT7 O ATOM 55427 H1 TIP3 5421 -5.018 -23.139 -20.990 1.00 0.00 WT7 H ATOM 55428 H2 TIP3 5421 0.694 0.253 1.932 1.00 0.00 WT7 H ATOM 55429 OH2 TIP3 6240 -6.602 -1.179 0.448 1.00 0.00 WT7 O ATOM 55430 H1 TIP3 6240 -24.480 -18.325 3.402 1.00 0.00 WT7 H ATOM 55431 H2 TIP3 6240 13.648 -3.898 -12.113 1.00 0.00 WT7 H ATOM 55432 OH2 TIP3 6350 1.881 -1.544 -3.803 1.00 0.00 WT7 O ATOM 55433 H1 TIP3 6350 1.624 -10.458 -1.484 1.00 0.00 WT7 H ATOM 55434 H2 TIP3 6350 7.300 -7.250 -1.300 1.00 0.00 WT7 H ATOM 55435 OH2 TIP3 6628 2.434 -2.769 1.432 1.00 0.00 WT7 O ATOM 55436 H1 TIP3 6628 -3.543 -4.974 -9.438 1.00 0.00 WT7 H ATOM 55437 H2 TIP3 6628 -5.439 -11.479 -13.354 1.00 0.00 WT7 H ATOM 55438 OH2 TIP3 6650 -4.713 -3.223 5.292 1.00 0.00 WT7 O ATOM 55439 H1 TIP3 6650 0.501 -17.231 -4.602 1.00 0.00 WT7 H ATOM 55440 H2 TIP3 6650 -10.273 4.120 7.339 1.00 0.00 WT7 H ATOM 55441 OH2 TIP3 6671 2.574 3.652 -5.042 1.00 0.00 WT7 O ATOM 55442 H1 TIP3 6671 16.512 5.447 -4.153 1.00 0.00 WT7 H ATOM 55443 H2 TIP3 6671 1.024 -5.665 -15.381 1.00 0.00 WT7 H ATOM 55444 OH2 TIP3 6751 -2.211 5.521 3.427 1.00 0.00 WT7 O ATOM 55445 H1 TIP3 6751 -6.491 22.737 7.827 1.00 0.00 WT7 H ATOM 55446 H2 TIP3 6751 1.095 -17.621 -0.228 1.00 0.00 WT7 H ATOM 55447 OH2 TIP3 6773 -6.776 1.852 -4.146 1.00 0.00 WT7 O ATOM 55448 H1 TIP3 6773 -7.563 11.719 14.463 1.00 0.00 WT7 H ATOM 55449 H2 TIP3 6773 -0.003 4.345 -13.420 1.00 0.00 WT7 H ATOM 55450 OH2 TIP3 7027 -8.885 1.066 -2.188 1.00 0.00 WT7 O ATOM 55451 H1 TIP3 7027 -3.356 -20.026 -16.157 1.00 0.00 WT7 H ATOM 55452 H2 TIP3 7027 -5.684 5.572 -5.987 1.00 0.00 WT7 H ATOM 55453 OH2 TIP3 7114 1.017 7.114 3.103 1.00 0.00 WT7 O ATOM 55454 H1 TIP3 7114 -2.423 4.680 14.107 1.00 0.00 WT7 H ATOM 55455 H2 TIP3 7114 10.822 -2.763 -17.460 1.00 0.00 WT7 H ATOM 55456 OH2 TIP3 7133 2.416 -5.221 4.911 1.00 0.00 WT7 O ATOM 55457 H1 TIP3 7133 12.391 7.343 15.353 1.00 0.00 WT7 H ATOM 55458 H2 TIP3 7133 13.995 -20.454 -10.816 1.00 0.00 WT7 H ATOM 55459 OH2 TIP3 7165 -2.868 2.831 -3.151 1.00 0.00 WT7 O ATOM 55460 H1 TIP3 7165 -3.944 -3.218 -8.367 1.00 0.00 WT7 H ATOM 55461 H2 TIP3 7165 -3.410 -10.290 9.337 1.00 0.00 WT7 H ATOM 55462 OH2 TIP3 7214 -3.253 0.259 3.776 1.00 0.00 WT7 O ATOM 55463 H1 TIP3 7214 0.773 -13.014 -18.951 1.00 0.00 WT7 H ATOM 55464 H2 TIP3 7214 10.672 17.412 -10.996 1.00 0.00 WT7 H ATOM 55465 OH2 TIP3 7295 4.953 -4.813 -3.303 1.00 0.00 WT7 O ATOM 55466 H1 TIP3 7295 -0.845 -26.272 8.975 1.00 0.00 WT7 H ATOM 55467 H2 TIP3 7295 4.055 -11.959 -0.954 1.00 0.00 WT7 H ATOM 55468 OH2 TIP3 7532 -2.379 2.537 1.554 1.00 0.00 WT7 O ATOM 55469 H1 TIP3 7532 -5.249 -7.791 -11.141 1.00 0.00 WT7 H ATOM 55470 H2 TIP3 7532 10.637 15.877 -14.786 1.00 0.00 WT7 H ATOM 55471 OH2 TIP3 7537 -3.004 3.697 3.004 1.00 0.00 WT7 O ATOM 55472 H1 TIP3 7537 1.038 2.121 -2.237 1.00 0.00 WT7 H ATOM 55473 H2 TIP3 7537 -7.274 9.312 7.629 1.00 0.00 WT7 H ATOM 55474 OH2 TIP3 7563 0.257 3.033 5.917 1.00 0.00 WT7 O ATOM 55475 H1 TIP3 7563 -0.841 -9.670 13.402 1.00 0.00 WT7 H ATOM 55476 H2 TIP3 7563 -20.276 -5.834 -14.484 1.00 0.00 WT7 H ATOM 55477 OH2 TIP3 7568 -1.548 2.440 1.235 1.00 0.00 WT7 O ATOM 55478 H1 TIP3 7568 23.985 -15.455 27.395 1.00 0.00 WT7 H ATOM 55479 H2 TIP3 7568 -16.149 2.074 0.335 1.00 0.00 WT7 H ATOM 55480 OH2 TIP3 7576 2.798 -4.401 -1.300 1.00 0.00 WT7 O ATOM 55481 H1 TIP3 7576 8.119 -17.332 11.881 1.00 0.00 WT7 H ATOM 55482 H2 TIP3 7576 -20.685 7.977 -19.425 1.00 0.00 WT7 H ATOM 55483 OH2 TIP3 7583 4.176 -5.095 2.901 1.00 0.00 WT7 O ATOM 55484 H1 TIP3 7583 8.894 4.209 6.782 1.00 0.00 WT7 H ATOM 55485 H2 TIP3 7583 -0.572 -7.566 0.694 1.00 0.00 WT7 H ATOM 55486 OH2 TIP3 7592 -2.122 0.249 -4.652 1.00 0.00 WT7 O ATOM 55487 H1 TIP3 7592 9.052 -8.033 -14.277 1.00 0.00 WT7 H ATOM 55488 H2 TIP3 7592 -19.920 -0.474 10.965 1.00 0.00 WT7 H ATOM 55489 OH2 TIP3 7607 -0.862 -1.242 2.430 1.00 0.00 WT7 O ATOM 55490 H1 TIP3 7607 24.480 -1.549 -4.289 1.00 0.00 WT7 H ATOM 55491 H2 TIP3 7607 -4.266 1.671 11.753 1.00 0.00 WT7 H ATOM 55492 OH2 TIP3 7630 2.698 -1.517 3.859 1.00 0.00 WT7 O ATOM 55493 H1 TIP3 7630 14.405 4.608 9.128 1.00 0.00 WT7 H ATOM 55494 H2 TIP3 7630 -5.819 2.938 10.852 1.00 0.00 WT7 H ATOM 55495 OH2 TIP3 7631 -1.331 5.483 0.140 1.00 0.00 WT7 O ATOM 55496 H1 TIP3 7631 -2.237 28.440 14.495 1.00 0.00 WT7 H ATOM 55497 H2 TIP3 7631 -2.354 33.725 16.992 1.00 0.00 WT7 H ATOM 55498 OH2 TIP3 7634 -3.191 3.693 -3.825 1.00 0.00 WT7 O ATOM 55499 H1 TIP3 7634 -7.434 2.906 0.474 1.00 0.00 WT7 H ATOM 55500 H2 TIP3 7634 19.547 10.488 -21.316 1.00 0.00 WT7 H ATOM 55501 OH2 TIP3 7642 0.255 1.547 -3.793 1.00 0.00 WT7 O ATOM 55502 H1 TIP3 7642 -5.041 14.053 -22.200 1.00 0.00 WT7 H ATOM 55503 H2 TIP3 7642 -12.707 -8.972 2.371 1.00 0.00 WT7 H ATOM 55504 OH2 TIP3 7647 8.625 2.875 1.299 1.00 0.00 WT7 O ATOM 55505 H1 TIP3 7647 -9.262 -0.913 12.699 1.00 0.00 WT7 H ATOM 55506 H2 TIP3 7647 -8.086 5.179 4.507 1.00 0.00 WT7 H ATOM 55507 OH2 TIP3 7650 -2.850 -4.165 -0.835 1.00 0.00 WT7 O ATOM 55508 H1 TIP3 7650 -14.206 -1.517 -4.901 1.00 0.00 WT7 H ATOM 55509 H2 TIP3 7650 2.676 -5.573 -12.009 1.00 0.00 WT7 H ATOM 55510 OH2 TIP3 7661 -1.689 -2.170 -1.497 1.00 0.00 WT7 O ATOM 55511 H1 TIP3 7661 -4.109 5.917 -10.704 1.00 0.00 WT7 H ATOM 55512 H2 TIP3 7661 -18.392 -4.844 1.794 1.00 0.00 WT7 H ATOM 55513 OH2 TIP3 7707 0.505 8.129 0.397 1.00 0.00 WT7 O ATOM 55514 H1 TIP3 7707 8.603 10.877 -0.483 1.00 0.00 WT7 H ATOM 55515 H2 TIP3 7707 -0.495 3.823 9.397 1.00 0.00 WT7 H ATOM 55516 OH2 TIP3 7739 -2.461 0.758 -1.069 1.00 0.00 WT7 O ATOM 55517 H1 TIP3 7739 -1.153 -0.950 -2.645 1.00 0.00 WT7 H ATOM 55518 H2 TIP3 7739 -17.233 -5.231 21.327 1.00 0.00 WT7 H ATOM 55519 OH2 TIP3 7876 -0.475 -3.105 -3.021 1.00 0.00 WT7 O ATOM 55520 H1 TIP3 7876 11.115 -12.502 17.875 1.00 0.00 WT7 H ATOM 55521 H2 TIP3 7876 0.527 -27.259 -4.659 1.00 0.00 WT7 H ATOM 55522 OH2 TIP3 7951 -2.333 4.200 3.700 1.00 0.00 WT7 O ATOM 55523 H1 TIP3 7951 -2.800 -5.806 -2.094 1.00 0.00 WT7 H ATOM 55524 H2 TIP3 7951 14.512 -0.301 -3.376 1.00 0.00 WT7 H ATOM 55525 OH2 TIP3 7961 0.328 3.009 -6.992 1.00 0.00 WT7 O ATOM 55526 H1 TIP3 7961 -13.601 -32.546 10.134 1.00 0.00 WT7 H ATOM 55527 H2 TIP3 7961 21.077 3.851 -22.291 1.00 0.00 WT7 H ATOM 55528 OH2 TIP3 7978 1.182 -2.799 0.977 1.00 0.00 WT7 O ATOM 55529 H1 TIP3 7978 23.679 6.614 -3.470 1.00 0.00 WT7 H ATOM 55530 H2 TIP3 7978 -0.947 -25.361 -4.407 1.00 0.00 WT7 H ATOM 55531 OH2 TIP3 7985 -0.582 -0.203 4.259 1.00 0.00 WT7 O ATOM 55532 H1 TIP3 7985 -8.224 2.529 1.940 1.00 0.00 WT7 H ATOM 55533 H2 TIP3 7985 -20.775 6.636 -1.708 1.00 0.00 WT7 H ATOM 55534 OH2 TIP3 7997 -3.392 -1.528 4.199 1.00 0.00 WT7 O ATOM 55535 H1 TIP3 7997 8.845 -7.211 -8.319 1.00 0.00 WT7 H ATOM 55536 H2 TIP3 7997 9.192 -7.332 -9.218 1.00 0.00 WT7 H ATOM 55537 OH2 TIP3 7998 -2.162 2.834 3.862 1.00 0.00 WT7 O ATOM 55538 H1 TIP3 7998 10.500 13.862 1.380 1.00 0.00 WT7 H ATOM 55539 H2 TIP3 7998 -7.797 -2.203 4.683 1.00 0.00 WT7 H ATOM 55540 OH2 TIP3 8009 0.752 2.889 -4.692 1.00 0.00 WT7 O ATOM 55541 H1 TIP3 8009 -13.103 -23.526 -5.123 1.00 0.00 WT7 H ATOM 55542 H2 TIP3 8009 2.788 22.185 -3.809 1.00 0.00 WT7 H ATOM 55543 OH2 TIP3 8014 3.708 5.381 2.209 1.00 0.00 WT7 O ATOM 55544 H1 TIP3 8014 -0.266 9.504 26.134 1.00 0.00 WT7 H ATOM 55545 H2 TIP3 8014 -17.821 -5.454 4.259 1.00 0.00 WT7 H ATOM 55546 OH2 TIP3 8023 -3.263 -2.244 -3.022 1.00 0.00 WT7 O ATOM 55547 H1 TIP3 8023 0.411 -1.302 17.650 1.00 0.00 WT7 H ATOM 55548 H2 TIP3 8023 -8.521 17.458 -2.767 1.00 0.00 WT7 H ATOM 55549 OH2 TIP3 8024 2.431 3.225 3.506 1.00 0.00 WT7 O ATOM 55550 H1 TIP3 8024 -5.438 -8.808 -0.128 1.00 0.00 WT7 H ATOM 55551 H2 TIP3 8024 6.284 8.927 23.184 1.00 0.00 WT7 H ATOM 55552 OH2 TIP3 8031 1.031 1.976 1.238 1.00 0.00 WT7 O ATOM 55553 H1 TIP3 8031 -1.921 13.891 10.250 1.00 0.00 WT7 H ATOM 55554 H2 TIP3 8031 5.743 -11.600 -6.607 1.00 0.00 WT7 H ATOM 55555 OH2 TIP3 8034 -5.528 -2.602 0.410 1.00 0.00 WT7 O ATOM 55556 H1 TIP3 8034 -5.268 -5.186 1.209 1.00 0.00 WT7 H ATOM 55557 H2 TIP3 8034 4.722 -9.870 11.504 1.00 0.00 WT7 H ATOM 55558 OH2 TIP3 8046 0.236 1.646 -5.115 1.00 0.00 WT7 O ATOM 55559 H1 TIP3 8046 -2.398 1.160 -2.031 1.00 0.00 WT7 H ATOM 55560 H2 TIP3 8046 -2.399 -1.065 -1.561 1.00 0.00 WT7 H ATOM 55561 OH2 TIP3 8064 3.719 4.720 1.709 1.00 0.00 WT7 O ATOM 55562 H1 TIP3 8064 10.245 9.144 4.891 1.00 0.00 WT7 H ATOM 55563 H2 TIP3 8064 22.167 16.984 14.198 1.00 0.00 WT7 H ATOM 55564 OH2 TIP3 8067 4.809 -3.117 -2.049 1.00 0.00 WT7 O ATOM 55565 H1 TIP3 8067 24.426 -17.647 16.675 1.00 0.00 WT7 H ATOM 55566 H2 TIP3 8067 6.173 5.683 -8.718 1.00 0.00 WT7 H ATOM 55567 OH2 TIP3 8068 -0.837 3.775 6.020 1.00 0.00 WT7 O ATOM 55568 H1 TIP3 8068 -2.500 1.153 -16.876 1.00 0.00 WT7 H ATOM 55569 H2 TIP3 8068 -13.392 16.441 9.530 1.00 0.00 WT7 H ATOM 55570 OH2 TIP3 8079 -1.037 9.984 2.318 1.00 0.00 WT7 O ATOM 55571 H1 TIP3 8079 14.274 -11.012 -5.477 1.00 0.00 WT7 H ATOM 55572 H2 TIP3 8079 9.737 35.489 -0.374 1.00 0.00 WT7 H ATOM 55573 OH2 TIP3 8123 2.355 2.380 -7.068 1.00 0.00 WT7 O ATOM 55574 H1 TIP3 8123 1.301 0.370 -4.112 1.00 0.00 WT7 H ATOM 55575 H2 TIP3 8123 -1.679 1.146 4.448 1.00 0.00 WT7 H ATOM 55576 OH2 TIP3 8133 2.333 4.347 -3.343 1.00 0.00 WT7 O ATOM 55577 H1 TIP3 8133 1.830 11.906 -11.707 1.00 0.00 WT7 H ATOM 55578 H2 TIP3 8133 -2.908 -1.416 -8.116 1.00 0.00 WT7 H ATOM 55579 OH2 TIP3 8161 -5.898 1.407 5.311 1.00 0.00 WT7 O ATOM 55580 H1 TIP3 8161 2.181 7.966 18.179 1.00 0.00 WT7 H ATOM 55581 H2 TIP3 8161 15.984 -4.448 12.221 1.00 0.00 WT7 H ATOM 55582 OH2 TIP3 8174 1.379 -0.851 0.732 1.00 0.00 WT7 O ATOM 55583 H1 TIP3 8174 17.282 -8.537 2.976 1.00 0.00 WT7 H ATOM 55584 H2 TIP3 8174 -28.209 14.022 -1.898 1.00 0.00 WT7 H ATOM 55585 OH2 TIP3 8183 0.293 -3.783 1.284 1.00 0.00 WT7 O ATOM 55586 H1 TIP3 8183 -11.856 -4.672 -7.251 1.00 0.00 WT7 H ATOM 55587 H2 TIP3 8183 -1.866 4.074 5.336 1.00 0.00 WT7 H ATOM 55588 OH2 TIP3 8270 0.367 0.062 3.386 1.00 0.00 WT7 O ATOM 55589 H1 TIP3 8270 -19.283 3.604 -0.958 1.00 0.00 WT7 H ATOM 55590 H2 TIP3 8270 2.554 1.508 8.240 1.00 0.00 WT7 H ATOM 55591 OH2 TIP3 8290 -8.655 -0.534 0.363 1.00 0.00 WT7 O ATOM 55592 H1 TIP3 8290 9.752 8.257 -9.815 1.00 0.00 WT7 H ATOM 55593 H2 TIP3 8290 -27.569 -9.307 -14.824 1.00 0.00 WT7 H ATOM 55594 OH2 TIP3 8309 4.283 5.531 5.340 1.00 0.00 WT7 O ATOM 55595 H1 TIP3 8309 -0.333 10.867 3.306 1.00 0.00 WT7 H ATOM 55596 H2 TIP3 8309 -14.206 -54.076 22.255 1.00 0.00 WT7 H ATOM 55597 OH2 TIP3 8375 -0.953 -4.884 3.117 1.00 0.00 WT7 O ATOM 55598 H1 TIP3 8375 -9.056 -4.162 -1.833 1.00 0.00 WT7 H ATOM 55599 H2 TIP3 8375 -16.122 -5.420 -1.237 1.00 0.00 WT7 H ATOM 55600 OH2 TIP3 8376 -2.482 2.161 -8.105 1.00 0.00 WT7 O ATOM 55601 H1 TIP3 8376 0.978 -17.108 -7.478 1.00 0.00 WT7 H ATOM 55602 H2 TIP3 8376 12.926 10.269 -18.376 1.00 0.00 WT7 H ATOM 55603 OH2 TIP3 8393 -1.495 3.850 2.604 1.00 0.00 WT7 O ATOM 55604 H1 TIP3 8393 -1.350 -1.514 5.567 1.00 0.00 WT7 H ATOM 55605 H2 TIP3 8393 -5.578 7.818 -2.495 1.00 0.00 WT7 H ATOM 55606 OH2 TIP3 8395 -1.860 -6.576 -0.455 1.00 0.00 WT7 O ATOM 55607 H1 TIP3 8395 3.669 -7.768 9.142 1.00 0.00 WT7 H ATOM 55608 H2 TIP3 8395 -11.009 -1.608 2.691 1.00 0.00 WT7 H ATOM 55609 OH2 TIP3 8403 1.727 9.180 2.638 1.00 0.00 WT7 O ATOM 55610 H1 TIP3 8403 0.869 3.952 -5.334 1.00 0.00 WT7 H ATOM 55611 H2 TIP3 8403 9.561 -0.723 -12.490 1.00 0.00 WT7 H ATOM 55612 OH2 TIP3 8408 3.586 2.662 -0.126 1.00 0.00 WT7 O ATOM 55613 H1 TIP3 8408 23.821 -2.843 12.439 1.00 0.00 WT7 H ATOM 55614 H2 TIP3 8408 -4.307 -1.192 -13.303 1.00 0.00 WT7 H ATOM 55615 OH2 TIP3 8411 -3.386 -2.668 -4.803 1.00 0.00 WT7 O ATOM 55616 H1 TIP3 8411 -9.161 -17.188 -7.508 1.00 0.00 WT7 H ATOM 55617 H2 TIP3 8411 25.542 14.542 9.038 1.00 0.00 WT7 H ATOM 55618 OH2 TIP3 8414 0.516 5.956 -2.996 1.00 0.00 WT7 O ATOM 55619 H1 TIP3 8414 6.662 17.917 -5.363 1.00 0.00 WT7 H ATOM 55620 H2 TIP3 8414 3.340 0.639 -14.494 1.00 0.00 WT7 H ATOM 55621 OH2 TIP3 8419 -0.539 -2.767 0.917 1.00 0.00 WT7 O ATOM 55622 H1 TIP3 8419 -5.064 1.409 -0.141 1.00 0.00 WT7 H ATOM 55623 H2 TIP3 8419 -9.690 32.021 -15.928 1.00 0.00 WT7 H ATOM 55624 OH2 TIP3 8425 0.892 1.543 -1.928 1.00 0.00 WT7 O ATOM 55625 H1 TIP3 8425 15.412 -0.306 -4.295 1.00 0.00 WT7 H ATOM 55626 H2 TIP3 8425 -12.206 3.777 1.350 1.00 0.00 WT7 H ATOM 55627 OH2 TIP3 8440 -3.488 3.776 -5.031 1.00 0.00 WT7 O ATOM 55628 H1 TIP3 8440 12.432 -17.142 -8.260 1.00 0.00 WT7 H ATOM 55629 H2 TIP3 8440 -9.607 7.964 -25.131 1.00 0.00 WT7 H ATOM 55630 OH2 TIP3 8448 -2.942 -2.188 1.747 1.00 0.00 WT7 O ATOM 55631 H1 TIP3 8448 -1.982 -9.229 4.166 1.00 0.00 WT7 H ATOM 55632 H2 TIP3 8448 11.865 -2.485 26.780 1.00 0.00 WT7 H ATOM 55633 OH2 TIP3 8452 -7.431 -3.674 4.298 1.00 0.00 WT7 O ATOM 55634 H1 TIP3 8452 -10.747 -7.731 13.878 1.00 0.00 WT7 H ATOM 55635 H2 TIP3 8452 9.802 1.744 -13.481 1.00 0.00 WT7 H ATOM 55636 OH2 TIP3 8459 1.015 2.658 -4.331 1.00 0.00 WT7 O ATOM 55637 H1 TIP3 8459 18.478 5.926 -4.530 1.00 0.00 WT7 H ATOM 55638 H2 TIP3 8459 19.032 7.073 -13.202 1.00 0.00 WT7 H ATOM 55639 OH2 TIP3 8466 2.251 -0.951 -1.075 1.00 0.00 WT7 O ATOM 55640 H1 TIP3 8466 2.311 -8.847 10.604 1.00 0.00 WT7 H ATOM 55641 H2 TIP3 8466 8.305 -5.839 11.092 1.00 0.00 WT7 H ATOM 55642 OH2 TIP3 8468 5.316 1.513 2.790 1.00 0.00 WT7 O ATOM 55643 H1 TIP3 8468 11.548 -2.816 -0.960 1.00 0.00 WT7 H ATOM 55644 H2 TIP3 8468 6.363 -1.999 13.842 1.00 0.00 WT7 H ATOM 55645 OH2 TIP3 8492 0.374 5.868 -7.150 1.00 0.00 WT7 O ATOM 55646 H1 TIP3 8492 20.069 -2.793 0.624 1.00 0.00 WT7 H ATOM 55647 H2 TIP3 8492 -3.242 -4.277 -26.880 1.00 0.00 WT7 H ATOM 55648 OH2 TIP3 8500 -0.620 0.577 -2.514 1.00 0.00 WT7 O ATOM 55649 H1 TIP3 8500 18.732 13.019 6.795 1.00 0.00 WT7 H ATOM 55650 H2 TIP3 8500 17.747 3.572 6.051 1.00 0.00 WT7 H ATOM 55651 OH2 TIP3 8518 6.593 -6.771 5.029 1.00 0.00 WT7 O ATOM 55652 H1 TIP3 8518 -4.694 2.891 0.390 1.00 0.00 WT7 H ATOM 55653 H2 TIP3 8518 7.069 9.591 -1.288 1.00 0.00 WT7 H ATOM 55654 OH2 TIP3 8520 -0.191 1.091 1.203 1.00 0.00 WT7 O ATOM 55655 H1 TIP3 8520 -7.563 5.499 1.962 1.00 0.00 WT7 H ATOM 55656 H2 TIP3 8520 -12.891 -0.785 -5.781 1.00 0.00 WT7 H ATOM 55657 OH2 TIP3 8534 -2.087 -0.303 -7.600 1.00 0.00 WT7 O ATOM 55658 H1 TIP3 8534 18.454 -3.391 -11.855 1.00 0.00 WT7 H ATOM 55659 H2 TIP3 8534 -6.933 27.837 28.075 1.00 0.00 WT7 H ATOM 55660 OH2 TIP3 8536 2.706 -2.916 4.142 1.00 0.00 WT7 O ATOM 55661 H1 TIP3 8536 8.599 8.399 2.462 1.00 0.00 WT7 H ATOM 55662 H2 TIP3 8536 -7.074 1.858 9.408 1.00 0.00 WT7 H ATOM 55663 OH2 TIP3 8537 -0.846 -4.782 0.273 1.00 0.00 WT7 O ATOM 55664 H1 TIP3 8537 -5.468 -11.830 -4.356 1.00 0.00 WT7 H ATOM 55665 H2 TIP3 8537 -4.059 -2.998 4.863 1.00 0.00 WT7 H ATOM 55666 OH2 TIP3 8549 0.813 4.700 1.396 1.00 0.00 WT7 O ATOM 55667 H1 TIP3 8549 12.198 -17.835 33.614 1.00 0.00 WT7 H ATOM 55668 H2 TIP3 8549 -17.816 -1.886 -21.898 1.00 0.00 WT7 H ATOM 55669 OH2 TIP3 8556 2.889 4.296 1.493 1.00 0.00 WT7 O ATOM 55670 H1 TIP3 8556 14.370 11.544 15.646 1.00 0.00 WT7 H ATOM 55671 H2 TIP3 8556 8.940 4.971 -13.902 1.00 0.00 WT7 H ATOM 55672 OH2 TIP3 8558 -1.598 7.334 -4.216 1.00 0.00 WT7 O ATOM 55673 H1 TIP3 8558 -34.040 -2.038 -26.919 1.00 0.00 WT7 H ATOM 55674 H2 TIP3 8558 -18.098 16.689 18.254 1.00 0.00 WT7 H ATOM 55675 OH2 TIP3 8560 -5.089 5.378 0.093 1.00 0.00 WT7 O ATOM 55676 H1 TIP3 8560 -8.249 -3.702 -5.844 1.00 0.00 WT7 H ATOM 55677 H2 TIP3 8560 1.835 -1.497 2.019 1.00 0.00 WT7 H ATOM 55678 OH2 TIP3 8566 4.239 -4.584 4.927 1.00 0.00 WT7 O ATOM 55679 H1 TIP3 8566 4.585 -4.788 17.711 1.00 0.00 WT7 H ATOM 55680 H2 TIP3 8566 -4.165 -13.134 1.532 1.00 0.00 WT7 H ATOM 55681 OH2 TIP3 8567 -2.097 -2.474 -1.334 1.00 0.00 WT7 O ATOM 55682 H1 TIP3 8567 -1.244 -3.158 -8.689 1.00 0.00 WT7 H ATOM 55683 H2 TIP3 8567 -11.146 -12.762 33.767 1.00 0.00 WT7 H ATOM 55684 OH2 TIP3 8574 1.380 -2.978 -9.473 1.00 0.00 WT7 O ATOM 55685 H1 TIP3 8574 1.317 -22.686 -27.837 1.00 0.00 WT7 H ATOM 55686 H2 TIP3 8574 12.745 12.899 -36.774 1.00 0.00 WT7 H ATOM 55687 OH2 TIP3 8585 9.913 -6.375 -0.324 1.00 0.00 WT7 O ATOM 55688 H1 TIP3 8585 3.458 -7.589 -4.462 1.00 0.00 WT7 H ATOM 55689 H2 TIP3 8585 15.782 -12.873 4.466 1.00 0.00 WT7 H ATOM 55690 OH2 TIP3 8600 -2.353 1.555 2.521 1.00 0.00 WT7 O ATOM 55691 H1 TIP3 8600 -18.506 -11.138 26.141 1.00 0.00 WT7 H ATOM 55692 H2 TIP3 8600 2.480 19.701 2.912 1.00 0.00 WT7 H ATOM 55693 OH2 TIP3 8626 -0.293 -0.720 4.888 1.00 0.00 WT7 O ATOM 55694 H1 TIP3 8626 -4.661 3.906 -11.275 1.00 0.00 WT7 H ATOM 55695 H2 TIP3 8626 22.409 -6.000 17.368 1.00 0.00 WT7 H ATOM 55696 OH2 TIP3 8645 -2.888 -5.462 -1.984 1.00 0.00 WT7 O ATOM 55697 H1 TIP3 8645 -6.065 9.577 5.592 1.00 0.00 WT7 H ATOM 55698 H2 TIP3 8645 -2.502 -19.842 -5.661 1.00 0.00 WT7 H ATOM 55699 OH2 TIP3 8813 6.356 2.215 -2.419 1.00 0.00 WT7 O ATOM 55700 H1 TIP3 8813 4.135 -2.295 -6.020 1.00 0.00 WT7 H ATOM 55701 H2 TIP3 8813 -18.158 4.781 -4.728 1.00 0.00 WT7 H ATOM 55702 OH2 TIP3 8822 0.111 -5.039 3.830 1.00 0.00 WT7 O ATOM 55703 H1 TIP3 8822 -2.661 -3.210 -8.531 1.00 0.00 WT7 H ATOM 55704 H2 TIP3 8822 -16.845 13.147 -23.812 1.00 0.00 WT7 H ATOM 55705 OH2 TIP3 8824 3.373 3.732 -1.736 1.00 0.00 WT7 O ATOM 55706 H1 TIP3 8824 0.451 -1.951 8.841 1.00 0.00 WT7 H ATOM 55707 H2 TIP3 8824 3.348 6.478 -20.421 1.00 0.00 WT7 H ATOM 55708 OH2 TIP3 8829 3.704 -3.308 -2.580 1.00 0.00 WT7 O ATOM 55709 H1 TIP3 8829 -12.079 -23.891 3.502 1.00 0.00 WT7 H ATOM 55710 H2 TIP3 8829 3.586 0.871 0.703 1.00 0.00 WT7 H ATOM 55711 OH2 TIP3 8833 -4.091 -0.216 -1.191 1.00 0.00 WT7 O ATOM 55712 H1 TIP3 8833 1.685 17.834 2.630 1.00 0.00 WT7 H ATOM 55713 H2 TIP3 8833 -9.511 -8.389 17.078 1.00 0.00 WT7 H ATOM 55714 OH2 TIP3 8838 -2.208 -2.141 -1.643 1.00 0.00 WT7 O ATOM 55715 H1 TIP3 8838 -14.377 -0.132 10.103 1.00 0.00 WT7 H ATOM 55716 H2 TIP3 8838 6.809 7.400 20.258 1.00 0.00 WT7 H ATOM 55717 OH2 TIP3 8845 5.243 1.088 6.168 1.00 0.00 WT7 O ATOM 55718 H1 TIP3 8845 -4.319 9.209 4.286 1.00 0.00 WT7 H ATOM 55719 H2 TIP3 8845 18.020 9.233 14.214 1.00 0.00 WT7 H ATOM 55720 OH2 TIP3 8855 3.066 0.641 2.904 1.00 0.00 WT7 O ATOM 55721 H1 TIP3 8855 3.333 1.224 -2.152 1.00 0.00 WT7 H ATOM 55722 H2 TIP3 8855 -8.797 6.649 -5.277 1.00 0.00 WT7 H ATOM 55723 OH2 TIP3 8864 -1.399 -2.307 -4.717 1.00 0.00 WT7 O ATOM 55724 H1 TIP3 8864 -4.468 3.150 -3.684 1.00 0.00 WT7 H ATOM 55725 H2 TIP3 8864 -3.654 -12.317 21.672 1.00 0.00 WT7 H ATOM 55726 OH2 TIP3 8870 5.182 -5.462 -2.658 1.00 0.00 WT7 O ATOM 55727 H1 TIP3 8870 12.082 2.266 0.904 1.00 0.00 WT7 H ATOM 55728 H2 TIP3 8870 -1.116 -11.375 -7.642 1.00 0.00 WT7 H ATOM 55729 OH2 TIP3 8879 6.428 5.019 2.379 1.00 0.00 WT7 O ATOM 55730 H1 TIP3 8879 0.786 -1.339 15.658 1.00 0.00 WT7 H ATOM 55731 H2 TIP3 8879 -33.696 15.396 32.152 1.00 0.00 WT7 H ATOM 55732 OH2 TIP3 8892 0.438 -0.409 -0.656 1.00 0.00 WT7 O ATOM 55733 H1 TIP3 8892 17.423 5.928 11.681 1.00 0.00 WT7 H ATOM 55734 H2 TIP3 8892 10.271 -6.106 -0.267 1.00 0.00 WT7 H ATOM 55735 OH2 TIP3 8893 -1.723 1.511 -2.025 1.00 0.00 WT7 O ATOM 55736 H1 TIP3 8893 5.749 3.815 10.017 1.00 0.00 WT7 H ATOM 55737 H2 TIP3 8893 4.501 -8.800 -8.879 1.00 0.00 WT7 H ATOM 55738 OH2 TIP3 8894 1.084 -0.963 -0.653 1.00 0.00 WT7 O ATOM 55739 H1 TIP3 8894 -6.601 5.764 -3.266 1.00 0.00 WT7 H ATOM 55740 H2 TIP3 8894 -2.611 4.805 1.568 1.00 0.00 WT7 H ATOM 55741 OH2 TIP3 8904 1.107 1.961 0.374 1.00 0.00 WT7 O ATOM 55742 H1 TIP3 8904 -22.623 -10.554 0.337 1.00 0.00 WT7 H ATOM 55743 H2 TIP3 8904 14.380 8.268 3.202 1.00 0.00 WT7 H ATOM 55744 OH2 TIP3 8920 -0.949 0.588 -1.601 1.00 0.00 WT7 O ATOM 55745 H1 TIP3 8920 44.801 -16.757 9.972 1.00 0.00 WT7 H ATOM 55746 H2 TIP3 8920 10.218 -3.573 1.493 1.00 0.00 WT7 H ATOM 55747 OH2 TIP3 8927 2.679 1.026 6.315 1.00 0.00 WT7 O ATOM 55748 H1 TIP3 8927 -17.503 -8.777 4.894 1.00 0.00 WT7 H ATOM 55749 H2 TIP3 8927 7.495 4.775 -9.809 1.00 0.00 WT7 H ATOM 55750 OH2 TIP3 8935 -2.847 2.060 -1.530 1.00 0.00 WT7 O ATOM 55751 H1 TIP3 8935 3.263 1.306 13.748 1.00 0.00 WT7 H ATOM 55752 H2 TIP3 8935 8.236 20.008 -1.321 1.00 0.00 WT7 H ATOM 55753 OH2 TIP3 8937 -5.557 -0.946 0.602 1.00 0.00 WT7 O ATOM 55754 H1 TIP3 8937 -3.341 -8.803 3.478 1.00 0.00 WT7 H ATOM 55755 H2 TIP3 8937 -19.437 4.441 10.563 1.00 0.00 WT7 H ATOM 55756 OH2 TIP3 8938 -3.661 0.367 -0.892 1.00 0.00 WT7 O ATOM 55757 H1 TIP3 8938 -2.719 0.395 -7.548 1.00 0.00 WT7 H ATOM 55758 H2 TIP3 8938 -8.511 -2.629 3.050 1.00 0.00 WT7 H ATOM 55759 OH2 TIP3 8939 -0.366 0.910 -5.637 1.00 0.00 WT7 O ATOM 55760 H1 TIP3 8939 -9.296 1.988 0.949 1.00 0.00 WT7 H ATOM 55761 H2 TIP3 8939 -5.066 -1.923 -10.530 1.00 0.00 WT7 H ATOM 55762 OH2 TIP3 8942 -1.788 -2.739 3.691 1.00 0.00 WT7 O ATOM 55763 H1 TIP3 8942 -1.588 -3.320 6.062 1.00 0.00 WT7 H ATOM 55764 H2 TIP3 8942 6.145 0.327 16.896 1.00 0.00 WT7 H ATOM 55765 OH2 TIP3 8956 3.059 2.684 -3.986 1.00 0.00 WT7 O ATOM 55766 H1 TIP3 8956 1.962 12.922 1.107 1.00 0.00 WT7 H ATOM 55767 H2 TIP3 8956 -1.231 -13.010 -3.231 1.00 0.00 WT7 H ATOM 55768 OH2 TIP3 8960 -3.087 0.145 -3.694 1.00 0.00 WT7 O ATOM 55769 H1 TIP3 8960 -14.172 -0.183 -25.444 1.00 0.00 WT7 H ATOM 55770 H2 TIP3 8960 3.168 -14.730 -1.604 1.00 0.00 WT7 H ATOM 55771 OH2 TIP3 8972 3.465 2.193 1.330 1.00 0.00 WT7 O ATOM 55772 H1 TIP3 8972 4.445 3.111 4.497 1.00 0.00 WT7 H ATOM 55773 H2 TIP3 8972 3.243 2.135 2.392 1.00 0.00 WT7 H ATOM 55774 OH2 TIP3 8973 -2.125 5.117 -2.049 1.00 0.00 WT7 O ATOM 55775 H1 TIP3 8973 -7.389 9.529 1.493 1.00 0.00 WT7 H ATOM 55776 H2 TIP3 8973 -11.984 14.778 7.027 1.00 0.00 WT7 H ATOM 55777 OH2 TIP3 8977 2.541 1.831 3.204 1.00 0.00 WT7 O ATOM 55778 H1 TIP3 8977 -17.552 -11.266 20.144 1.00 0.00 WT7 H ATOM 55779 H2 TIP3 8977 -3.373 3.037 -0.027 1.00 0.00 WT7 H ATOM 55780 OH2 TIP3 8982 -5.371 1.650 -6.851 1.00 0.00 WT7 O ATOM 55781 H1 TIP3 8982 -14.821 20.869 -3.387 1.00 0.00 WT7 H ATOM 55782 H2 TIP3 8982 2.031 5.581 -23.223 1.00 0.00 WT7 H ATOM 55783 OH2 TIP3 8984 2.729 2.347 3.349 1.00 0.00 WT7 O ATOM 55784 H1 TIP3 8984 29.248 -0.781 -2.932 1.00 0.00 WT7 H ATOM 55785 H2 TIP3 8984 8.967 4.268 -4.321 1.00 0.00 WT7 H ATOM 55786 OH2 TIP3 8988 -1.503 -1.063 -0.735 1.00 0.00 WT7 O ATOM 55787 H1 TIP3 8988 24.575 5.869 3.727 1.00 0.00 WT7 H ATOM 55788 H2 TIP3 8988 18.240 8.312 -1.171 1.00 0.00 WT7 H ATOM 55789 OH2 TIP3 9017 -4.190 -1.590 -1.825 1.00 0.00 WT7 O ATOM 55790 H1 TIP3 9017 0.570 -14.248 -7.913 1.00 0.00 WT7 H ATOM 55791 H2 TIP3 9017 -20.593 -27.652 0.051 1.00 0.00 WT7 H ATOM 55792 OH2 TIP3 9022 1.116 2.369 2.160 1.00 0.00 WT7 O ATOM 55793 H1 TIP3 9022 4.052 17.624 14.016 1.00 0.00 WT7 H ATOM 55794 H2 TIP3 9022 -3.749 -24.201 -0.381 1.00 0.00 WT7 H ATOM 55795 OH2 TIP3 9047 3.240 1.282 -8.294 1.00 0.00 WT7 O ATOM 55796 H1 TIP3 9047 16.236 -7.214 -10.984 1.00 0.00 WT7 H ATOM 55797 H2 TIP3 9047 -6.467 7.860 -5.621 1.00 0.00 WT7 H ATOM 55798 OH2 TIP3 9055 4.584 8.229 -0.005 1.00 0.00 WT7 O ATOM 55799 H1 TIP3 9055 -3.783 12.271 6.151 1.00 0.00 WT7 H ATOM 55800 H2 TIP3 9055 1.285 4.074 21.187 1.00 0.00 WT7 H ATOM 55801 OH2 TIP3 9063 -6.278 6.593 2.132 1.00 0.00 WT7 O ATOM 55802 H1 TIP3 9063 -3.323 10.617 -8.531 1.00 0.00 WT7 H ATOM 55803 H2 TIP3 9063 6.157 3.175 9.353 1.00 0.00 WT7 H ATOM 55804 OH2 TIP3 9068 -4.161 1.782 -1.960 1.00 0.00 WT7 O ATOM 55805 H1 TIP3 9068 -6.187 17.882 -0.508 1.00 0.00 WT7 H ATOM 55806 H2 TIP3 9068 -8.727 -38.845 -3.403 1.00 0.00 WT7 H ATOM 55807 OH2 TIP3 9096 -1.318 -0.694 -2.267 1.00 0.00 WT7 O ATOM 55808 H1 TIP3 9096 1.028 28.684 2.522 1.00 0.00 WT7 H ATOM 55809 H2 TIP3 9096 -13.499 -7.791 -16.322 1.00 0.00 WT7 H ATOM 55810 OH2 TIP3 9178 0.928 -3.718 -1.043 1.00 0.00 WT7 O ATOM 55811 H1 TIP3 9178 5.571 5.846 11.585 1.00 0.00 WT7 H ATOM 55812 H2 TIP3 9178 -3.575 -16.784 -14.845 1.00 0.00 WT7 H ATOM 55813 OH2 TIP3 9250 -3.140 1.181 -0.156 1.00 0.00 WT7 O ATOM 55814 H1 TIP3 9250 -0.548 2.148 4.147 1.00 0.00 WT7 H ATOM 55815 H2 TIP3 9250 -5.886 3.798 -15.922 1.00 0.00 WT7 H ATOM 55816 OH2 TIP3 5 2.281 -4.095 -4.684 1.00 0.00 WT8 O ATOM 55817 H1 TIP3 5 -17.586 16.483 22.552 1.00 0.00 WT8 H ATOM 55818 H2 TIP3 5 18.330 21.760 -6.328 1.00 0.00 WT8 H ATOM 55819 OH2 TIP3 44 -3.268 3.014 2.054 1.00 0.00 WT8 O ATOM 55820 H1 TIP3 44 -5.157 -7.000 -2.677 1.00 0.00 WT8 H ATOM 55821 H2 TIP3 44 -5.170 -4.002 -0.032 1.00 0.00 WT8 H ATOM 55822 OH2 TIP3 48 0.884 2.565 -5.218 1.00 0.00 WT8 O ATOM 55823 H1 TIP3 48 3.716 7.488 25.589 1.00 0.00 WT8 H ATOM 55824 H2 TIP3 48 -19.867 -4.619 -12.661 1.00 0.00 WT8 H ATOM 55825 OH2 TIP3 67 -0.037 1.180 1.534 1.00 0.00 WT8 O ATOM 55826 H1 TIP3 67 -13.792 -15.510 5.659 1.00 0.00 WT8 H ATOM 55827 H2 TIP3 67 -0.097 16.003 -2.126 1.00 0.00 WT8 H ATOM 55828 OH2 TIP3 87 -1.172 -3.056 3.652 1.00 0.00 WT8 O ATOM 55829 H1 TIP3 87 19.527 19.009 38.011 1.00 0.00 WT8 H ATOM 55830 H2 TIP3 87 14.775 -11.352 -9.251 1.00 0.00 WT8 H ATOM 55831 OH2 TIP3 113 -2.750 0.408 -1.367 1.00 0.00 WT8 O ATOM 55832 H1 TIP3 113 -4.215 -20.908 41.592 1.00 0.00 WT8 H ATOM 55833 H2 TIP3 113 3.333 19.021 -1.978 1.00 0.00 WT8 H ATOM 55834 OH2 TIP3 149 -0.526 7.357 -4.525 1.00 0.00 WT8 O ATOM 55835 H1 TIP3 149 -0.689 6.509 -4.980 1.00 0.00 WT8 H ATOM 55836 H2 TIP3 149 2.750 20.757 14.407 1.00 0.00 WT8 H ATOM 55837 OH2 TIP3 150 4.682 -1.537 -3.127 1.00 0.00 WT8 O ATOM 55838 H1 TIP3 150 -0.933 -21.633 7.665 1.00 0.00 WT8 H ATOM 55839 H2 TIP3 150 -4.406 4.712 -2.499 1.00 0.00 WT8 H ATOM 55840 OH2 TIP3 167 4.545 9.175 3.020 1.00 0.00 WT8 O ATOM 55841 H1 TIP3 167 13.337 4.459 2.514 1.00 0.00 WT8 H ATOM 55842 H2 TIP3 167 8.645 3.622 1.466 1.00 0.00 WT8 H ATOM 55843 OH2 TIP3 175 -1.820 -3.253 -1.988 1.00 0.00 WT8 O ATOM 55844 H1 TIP3 175 2.219 3.408 -8.087 1.00 0.00 WT8 H ATOM 55845 H2 TIP3 175 -8.240 0.312 -3.913 1.00 0.00 WT8 H ATOM 55846 OH2 TIP3 237 -0.471 1.620 -0.445 1.00 0.00 WT8 O ATOM 55847 H1 TIP3 237 -25.802 -25.401 -1.378 1.00 0.00 WT8 H ATOM 55848 H2 TIP3 237 5.251 9.249 -7.495 1.00 0.00 WT8 H ATOM 55849 OH2 TIP3 449 5.261 2.254 2.442 1.00 0.00 WT8 O ATOM 55850 H1 TIP3 449 13.649 1.324 -5.308 1.00 0.00 WT8 H ATOM 55851 H2 TIP3 449 -2.504 -5.896 12.320 1.00 0.00 WT8 H ATOM 55852 OH2 TIP3 485 -1.931 -2.098 -4.046 1.00 0.00 WT8 O ATOM 55853 H1 TIP3 485 -5.363 -28.530 -12.064 1.00 0.00 WT8 H ATOM 55854 H2 TIP3 485 -32.229 -12.349 24.146 1.00 0.00 WT8 H ATOM 55855 OH2 TIP3 486 -2.431 2.702 5.211 1.00 0.00 WT8 O ATOM 55856 H1 TIP3 486 -8.641 8.197 17.896 1.00 0.00 WT8 H ATOM 55857 H2 TIP3 486 5.506 -4.393 -2.599 1.00 0.00 WT8 H ATOM 55858 OH2 TIP3 489 -2.809 5.539 1.821 1.00 0.00 WT8 O ATOM 55859 H1 TIP3 489 -9.909 4.648 5.504 1.00 0.00 WT8 H ATOM 55860 H2 TIP3 489 0.467 11.037 6.247 1.00 0.00 WT8 H ATOM 55861 OH2 TIP3 503 4.550 -5.082 4.207 1.00 0.00 WT8 O ATOM 55862 H1 TIP3 503 -5.656 -1.595 8.947 1.00 0.00 WT8 H ATOM 55863 H2 TIP3 503 11.665 -6.499 3.568 1.00 0.00 WT8 H ATOM 55864 OH2 TIP3 506 -4.222 5.386 9.911 1.00 0.00 WT8 O ATOM 55865 H1 TIP3 506 6.780 -25.063 -9.022 1.00 0.00 WT8 H ATOM 55866 H2 TIP3 506 3.111 27.584 8.001 1.00 0.00 WT8 H ATOM 55867 OH2 TIP3 509 3.098 3.017 -2.813 1.00 0.00 WT8 O ATOM 55868 H1 TIP3 509 -13.328 -14.187 1.859 1.00 0.00 WT8 H ATOM 55869 H2 TIP3 509 6.337 -18.164 0.418 1.00 0.00 WT8 H ATOM 55870 OH2 TIP3 511 -0.661 7.443 -1.314 1.00 0.00 WT8 O ATOM 55871 H1 TIP3 511 2.802 -8.539 -4.611 1.00 0.00 WT8 H ATOM 55872 H2 TIP3 511 -9.248 7.682 -20.243 1.00 0.00 WT8 H ATOM 55873 OH2 TIP3 548 1.354 2.063 -4.107 1.00 0.00 WT8 O ATOM 55874 H1 TIP3 548 2.354 0.355 -7.870 1.00 0.00 WT8 H ATOM 55875 H2 TIP3 548 -1.531 2.799 -2.434 1.00 0.00 WT8 H ATOM 55876 OH2 TIP3 550 -2.993 -0.128 8.246 1.00 0.00 WT8 O ATOM 55877 H1 TIP3 550 -0.873 -1.373 14.363 1.00 0.00 WT8 H ATOM 55878 H2 TIP3 550 2.681 1.706 6.226 1.00 0.00 WT8 H ATOM 55879 OH2 TIP3 551 4.581 -3.170 -9.952 1.00 0.00 WT8 O ATOM 55880 H1 TIP3 551 9.854 2.658 -5.420 1.00 0.00 WT8 H ATOM 55881 H2 TIP3 551 7.877 -6.021 -12.041 1.00 0.00 WT8 H ATOM 55882 OH2 TIP3 562 -0.413 2.205 -1.891 1.00 0.00 WT8 O ATOM 55883 H1 TIP3 562 6.436 -12.121 -6.859 1.00 0.00 WT8 H ATOM 55884 H2 TIP3 562 2.793 -2.342 -2.502 1.00 0.00 WT8 H ATOM 55885 OH2 TIP3 573 -3.747 -2.495 -3.565 1.00 0.00 WT8 O ATOM 55886 H1 TIP3 573 8.663 0.447 2.640 1.00 0.00 WT8 H ATOM 55887 H2 TIP3 573 -5.403 -0.584 -26.538 1.00 0.00 WT8 H ATOM 55888 OH2 TIP3 575 0.833 1.715 0.918 1.00 0.00 WT8 O ATOM 55889 H1 TIP3 575 0.916 2.541 -1.343 1.00 0.00 WT8 H ATOM 55890 H2 TIP3 575 0.719 5.616 -20.252 1.00 0.00 WT8 H ATOM 55891 OH2 TIP3 584 0.360 -2.488 -2.222 1.00 0.00 WT8 O ATOM 55892 H1 TIP3 584 0.686 6.585 6.590 1.00 0.00 WT8 H ATOM 55893 H2 TIP3 584 -7.770 -10.309 -21.231 1.00 0.00 WT8 H ATOM 55894 OH2 TIP3 591 9.752 -3.284 -2.306 1.00 0.00 WT8 O ATOM 55895 H1 TIP3 591 6.259 -2.522 4.481 1.00 0.00 WT8 H ATOM 55896 H2 TIP3 591 8.054 -7.532 -1.219 1.00 0.00 WT8 H ATOM 55897 OH2 TIP3 593 -1.356 2.551 -2.699 1.00 0.00 WT8 O ATOM 55898 H1 TIP3 593 16.599 -20.227 -19.235 1.00 0.00 WT8 H ATOM 55899 H2 TIP3 593 2.496 27.271 -15.747 1.00 0.00 WT8 H ATOM 55900 OH2 TIP3 594 -5.212 2.851 4.946 1.00 0.00 WT8 O ATOM 55901 H1 TIP3 594 -5.688 17.543 0.213 1.00 0.00 WT8 H ATOM 55902 H2 TIP3 594 -6.286 -2.855 -5.990 1.00 0.00 WT8 H ATOM 55903 OH2 TIP3 822 -0.686 -3.555 -3.044 1.00 0.00 WT8 O ATOM 55904 H1 TIP3 822 -2.464 3.995 -6.423 1.00 0.00 WT8 H ATOM 55905 H2 TIP3 822 0.401 -13.009 5.298 1.00 0.00 WT8 H ATOM 55906 OH2 TIP3 892 1.402 6.458 -1.785 1.00 0.00 WT8 O ATOM 55907 H1 TIP3 892 10.939 -7.234 -8.765 1.00 0.00 WT8 H ATOM 55908 H2 TIP3 892 -18.996 5.840 9.842 1.00 0.00 WT8 H ATOM 55909 OH2 TIP3 908 -3.706 -3.303 3.662 1.00 0.00 WT8 O ATOM 55910 H1 TIP3 908 -0.154 -7.869 -12.816 1.00 0.00 WT8 H ATOM 55911 H2 TIP3 908 7.780 -3.228 -7.762 1.00 0.00 WT8 H ATOM 55912 OH2 TIP3 928 5.475 0.643 4.304 1.00 0.00 WT8 O ATOM 55913 H1 TIP3 928 10.362 3.426 13.786 1.00 0.00 WT8 H ATOM 55914 H2 TIP3 928 6.791 -11.910 19.878 1.00 0.00 WT8 H ATOM 55915 OH2 TIP3 930 -0.241 -0.940 0.315 1.00 0.00 WT8 O ATOM 55916 H1 TIP3 930 -0.627 25.413 -11.442 1.00 0.00 WT8 H ATOM 55917 H2 TIP3 930 -0.740 21.745 -0.926 1.00 0.00 WT8 H ATOM 55918 OH2 TIP3 987 0.704 -6.027 1.708 1.00 0.00 WT8 O ATOM 55919 H1 TIP3 987 3.229 -15.208 7.661 1.00 0.00 WT8 H ATOM 55920 H2 TIP3 987 3.927 -11.255 -1.030 1.00 0.00 WT8 H ATOM 55921 OH2 TIP3 993 3.130 4.510 3.419 1.00 0.00 WT8 O ATOM 55922 H1 TIP3 993 -2.333 6.491 19.003 1.00 0.00 WT8 H ATOM 55923 H2 TIP3 993 -6.464 -2.202 -14.466 1.00 0.00 WT8 H ATOM 55924 OH2 TIP3 1013 8.408 1.302 8.382 1.00 0.00 WT8 O ATOM 55925 H1 TIP3 1013 17.408 -10.807 17.368 1.00 0.00 WT8 H ATOM 55926 H2 TIP3 1013 3.262 12.845 -1.216 1.00 0.00 WT8 H ATOM 55927 OH2 TIP3 1018 0.938 4.151 -6.938 1.00 0.00 WT8 O ATOM 55928 H1 TIP3 1018 8.795 -3.328 -3.627 1.00 0.00 WT8 H ATOM 55929 H2 TIP3 1018 6.515 11.807 -2.221 1.00 0.00 WT8 H ATOM 55930 OH2 TIP3 1076 0.474 2.992 -1.114 1.00 0.00 WT8 O ATOM 55931 H1 TIP3 1076 14.730 -6.582 -1.246 1.00 0.00 WT8 H ATOM 55932 H2 TIP3 1076 -4.785 0.496 -20.160 1.00 0.00 WT8 H ATOM 55933 OH2 TIP3 1098 -0.319 -4.262 3.580 1.00 0.00 WT8 O ATOM 55934 H1 TIP3 1098 -0.910 -5.030 4.226 1.00 0.00 WT8 H ATOM 55935 H2 TIP3 1098 8.177 5.082 -20.499 1.00 0.00 WT8 H ATOM 55936 OH2 TIP3 1122 -7.929 2.226 1.605 1.00 0.00 WT8 O ATOM 55937 H1 TIP3 1122 -11.929 3.306 2.702 1.00 0.00 WT8 H ATOM 55938 H2 TIP3 1122 -12.501 -1.408 7.858 1.00 0.00 WT8 H ATOM 55939 OH2 TIP3 1138 9.799 1.992 0.296 1.00 0.00 WT8 O ATOM 55940 H1 TIP3 1138 3.371 17.343 -0.240 1.00 0.00 WT8 H ATOM 55941 H2 TIP3 1138 -6.502 -20.744 11.636 1.00 0.00 WT8 H ATOM 55942 OH2 TIP3 1301 -0.142 3.959 -7.480 1.00 0.00 WT8 O ATOM 55943 H1 TIP3 1301 -3.839 2.831 -6.389 1.00 0.00 WT8 H ATOM 55944 H2 TIP3 1301 7.801 8.253 -7.752 1.00 0.00 WT8 H ATOM 55945 OH2 TIP3 1354 1.184 -0.809 -1.842 1.00 0.00 WT8 O ATOM 55946 H1 TIP3 1354 0.537 17.859 -4.658 1.00 0.00 WT8 H ATOM 55947 H2 TIP3 1354 1.664 -20.324 1.454 1.00 0.00 WT8 H ATOM 55948 OH2 TIP3 1370 0.443 0.348 2.396 1.00 0.00 WT8 O ATOM 55949 H1 TIP3 1370 -20.001 -10.374 0.997 1.00 0.00 WT8 H ATOM 55950 H2 TIP3 1370 7.856 -0.804 25.178 1.00 0.00 WT8 H ATOM 55951 OH2 TIP3 1387 -3.606 -0.469 5.322 1.00 0.00 WT8 O ATOM 55952 H1 TIP3 1387 -15.212 -5.539 15.496 1.00 0.00 WT8 H ATOM 55953 H2 TIP3 1387 -30.238 4.277 1.039 1.00 0.00 WT8 H ATOM 55954 OH2 TIP3 1408 1.884 -1.130 -0.578 1.00 0.00 WT8 O ATOM 55955 H1 TIP3 1408 7.367 -0.416 -1.578 1.00 0.00 WT8 H ATOM 55956 H2 TIP3 1408 5.671 -4.319 -0.052 1.00 0.00 WT8 H ATOM 55957 OH2 TIP3 1414 1.395 2.307 -5.696 1.00 0.00 WT8 O ATOM 55958 H1 TIP3 1414 8.250 31.034 -27.224 1.00 0.00 WT8 H ATOM 55959 H2 TIP3 1414 -3.785 24.909 -15.942 1.00 0.00 WT8 H ATOM 55960 OH2 TIP3 1429 0.030 2.062 4.569 1.00 0.00 WT8 O ATOM 55961 H1 TIP3 1429 -5.474 10.179 -0.477 1.00 0.00 WT8 H ATOM 55962 H2 TIP3 1429 3.671 -13.846 -12.796 1.00 0.00 WT8 H ATOM 55963 OH2 TIP3 1433 -2.706 0.727 -3.800 1.00 0.00 WT8 O ATOM 55964 H1 TIP3 1433 -10.137 -1.456 -11.407 1.00 0.00 WT8 H ATOM 55965 H2 TIP3 1433 2.478 -1.306 -7.399 1.00 0.00 WT8 H ATOM 55966 OH2 TIP3 1440 -2.650 -0.341 -1.954 1.00 0.00 WT8 O ATOM 55967 H1 TIP3 1440 -0.064 4.568 0.060 1.00 0.00 WT8 H ATOM 55968 H2 TIP3 1440 0.848 5.762 1.250 1.00 0.00 WT8 H ATOM 55969 OH2 TIP3 1451 0.454 3.965 3.005 1.00 0.00 WT8 O ATOM 55970 H1 TIP3 1451 -8.245 -4.078 16.443 1.00 0.00 WT8 H ATOM 55971 H2 TIP3 1451 -10.537 -17.764 -10.335 1.00 0.00 WT8 H ATOM 55972 OH2 TIP3 1480 2.484 -2.014 2.703 1.00 0.00 WT8 O ATOM 55973 H1 TIP3 1480 -4.476 -8.545 3.521 1.00 0.00 WT8 H ATOM 55974 H2 TIP3 1480 7.325 -8.433 -4.117 1.00 0.00 WT8 H ATOM 55975 OH2 TIP3 1573 -1.620 -7.591 5.769 1.00 0.00 WT8 O ATOM 55976 H1 TIP3 1573 -1.904 0.638 2.777 1.00 0.00 WT8 H ATOM 55977 H2 TIP3 1573 -5.992 -11.912 0.471 1.00 0.00 WT8 H ATOM 55978 OH2 TIP3 1618 1.684 -2.301 -7.360 1.00 0.00 WT8 O ATOM 55979 H1 TIP3 1618 -8.775 -0.126 10.281 1.00 0.00 WT8 H ATOM 55980 H2 TIP3 1618 10.253 -5.529 -23.575 1.00 0.00 WT8 H ATOM 55981 OH2 TIP3 1725 -2.113 7.573 3.163 1.00 0.00 WT8 O ATOM 55982 H1 TIP3 1725 2.913 12.682 -12.235 1.00 0.00 WT8 H ATOM 55983 H2 TIP3 1725 8.157 -16.420 10.144 1.00 0.00 WT8 H ATOM 55984 OH2 TIP3 1733 -2.307 0.496 -5.546 1.00 0.00 WT8 O ATOM 55985 H1 TIP3 1733 -14.364 12.531 -6.916 1.00 0.00 WT8 H ATOM 55986 H2 TIP3 1733 17.585 2.086 -13.940 1.00 0.00 WT8 H ATOM 55987 OH2 TIP3 1771 -1.692 2.506 1.309 1.00 0.00 WT8 O ATOM 55988 H1 TIP3 1771 3.289 1.490 -12.872 1.00 0.00 WT8 H ATOM 55989 H2 TIP3 1771 -2.938 6.241 7.968 1.00 0.00 WT8 H ATOM 55990 OH2 TIP3 1849 0.332 -2.782 3.559 1.00 0.00 WT8 O ATOM 55991 H1 TIP3 1849 -13.921 9.321 7.158 1.00 0.00 WT8 H ATOM 55992 H2 TIP3 1849 -3.616 -9.725 -11.038 1.00 0.00 WT8 H ATOM 55993 OH2 TIP3 1853 1.995 -3.188 2.116 1.00 0.00 WT8 O ATOM 55994 H1 TIP3 1853 -7.101 -13.605 -18.868 1.00 0.00 WT8 H ATOM 55995 H2 TIP3 1853 -6.201 -0.993 16.296 1.00 0.00 WT8 H ATOM 55996 OH2 TIP3 1897 8.431 2.284 -8.934 1.00 0.00 WT8 O ATOM 55997 H1 TIP3 1897 0.180 -3.792 3.323 1.00 0.00 WT8 H ATOM 55998 H2 TIP3 1897 -26.215 9.326 7.781 1.00 0.00 WT8 H ATOM 55999 OH2 TIP3 2231 4.516 -2.672 0.119 1.00 0.00 WT8 O ATOM 56000 H1 TIP3 2231 -25.436 26.260 -3.556 1.00 0.00 WT8 H ATOM 56001 H2 TIP3 2231 -2.936 -6.570 1.580 1.00 0.00 WT8 H ATOM 56002 OH2 TIP3 2270 -1.664 2.453 -2.878 1.00 0.00 WT8 O ATOM 56003 H1 TIP3 2270 -6.154 -3.415 -2.523 1.00 0.00 WT8 H ATOM 56004 H2 TIP3 2270 -2.145 0.959 -12.447 1.00 0.00 WT8 H ATOM 56005 OH2 TIP3 2288 -0.505 0.770 -7.038 1.00 0.00 WT8 O ATOM 56006 H1 TIP3 2288 -7.646 -17.157 7.416 1.00 0.00 WT8 H ATOM 56007 H2 TIP3 2288 3.303 5.945 -24.270 1.00 0.00 WT8 H ATOM 56008 OH2 TIP3 2293 3.764 1.297 -0.231 1.00 0.00 WT8 O ATOM 56009 H1 TIP3 2293 -0.674 -6.085 6.525 1.00 0.00 WT8 H ATOM 56010 H2 TIP3 2293 -7.425 -0.447 14.950 1.00 0.00 WT8 H ATOM 56011 OH2 TIP3 2317 -3.257 -1.654 1.161 1.00 0.00 WT8 O ATOM 56012 H1 TIP3 2317 -7.610 0.770 2.397 1.00 0.00 WT8 H ATOM 56013 H2 TIP3 2317 -19.841 -24.290 -17.364 1.00 0.00 WT8 H ATOM 56014 OH2 TIP3 2357 -2.687 3.859 -4.210 1.00 0.00 WT8 O ATOM 56015 H1 TIP3 2357 13.556 8.568 -1.855 1.00 0.00 WT8 H ATOM 56016 H2 TIP3 2357 -3.211 21.664 -17.377 1.00 0.00 WT8 H ATOM 56017 OH2 TIP3 2358 0.539 -4.740 3.701 1.00 0.00 WT8 O ATOM 56018 H1 TIP3 2358 7.694 17.149 -0.881 1.00 0.00 WT8 H ATOM 56019 H2 TIP3 2358 -3.815 8.891 23.954 1.00 0.00 WT8 H ATOM 56020 OH2 TIP3 2714 5.652 -4.475 0.291 1.00 0.00 WT8 O ATOM 56021 H1 TIP3 2714 -9.202 -4.142 -8.773 1.00 0.00 WT8 H ATOM 56022 H2 TIP3 2714 5.357 8.691 8.895 1.00 0.00 WT8 H ATOM 56023 OH2 TIP3 5421 3.496 -2.609 -1.051 1.00 0.00 WT8 O ATOM 56024 H1 TIP3 5421 14.215 0.128 -0.351 1.00 0.00 WT8 H ATOM 56025 H2 TIP3 5421 -0.183 6.762 -7.265 1.00 0.00 WT8 H ATOM 56026 OH2 TIP3 6240 7.034 4.186 -0.048 1.00 0.00 WT8 O ATOM 56027 H1 TIP3 6240 -1.794 -10.885 -2.538 1.00 0.00 WT8 H ATOM 56028 H2 TIP3 6240 -2.942 20.658 -6.896 1.00 0.00 WT8 H ATOM 56029 OH2 TIP3 6350 -2.721 2.752 -4.388 1.00 0.00 WT8 O ATOM 56030 H1 TIP3 6350 4.697 2.134 -15.644 1.00 0.00 WT8 H ATOM 56031 H2 TIP3 6350 3.044 11.411 -3.806 1.00 0.00 WT8 H ATOM 56032 OH2 TIP3 6671 2.462 1.909 -4.812 1.00 0.00 WT8 O ATOM 56033 H1 TIP3 6671 2.977 7.811 1.343 1.00 0.00 WT8 H ATOM 56034 H2 TIP3 6671 -3.509 -4.496 -3.281 1.00 0.00 WT8 H ATOM 56035 OH2 TIP3 7563 -5.559 4.413 -7.069 1.00 0.00 WT8 O ATOM 56036 H1 TIP3 7563 5.467 -7.073 -2.253 1.00 0.00 WT8 H ATOM 56037 H2 TIP3 7563 -8.683 15.324 3.302 1.00 0.00 WT8 H ATOM 56038 OH2 TIP3 7583 -0.687 -1.892 -4.437 1.00 0.00 WT8 O ATOM 56039 H1 TIP3 7583 1.252 1.016 4.748 1.00 0.00 WT8 H ATOM 56040 H2 TIP3 7583 9.200 11.559 1.202 1.00 0.00 WT8 H ATOM 56041 OH2 TIP3 7607 4.807 -8.418 -3.130 1.00 0.00 WT8 O ATOM 56042 H1 TIP3 7607 5.468 -14.592 19.959 1.00 0.00 WT8 H ATOM 56043 H2 TIP3 7607 0.019 -10.375 -5.319 1.00 0.00 WT8 H ATOM 56044 OH2 TIP3 7630 -4.680 -8.228 1.610 1.00 0.00 WT8 O ATOM 56045 H1 TIP3 7630 -14.393 13.100 13.307 1.00 0.00 WT8 H ATOM 56046 H2 TIP3 7630 9.001 -23.260 -1.116 1.00 0.00 WT8 H ATOM 56047 OH2 TIP3 7631 1.568 1.799 -0.265 1.00 0.00 WT8 O ATOM 56048 H1 TIP3 7631 -11.004 -4.801 -7.754 1.00 0.00 WT8 H ATOM 56049 H2 TIP3 7631 4.022 4.944 4.159 1.00 0.00 WT8 H ATOM 56050 OH2 TIP3 7647 -2.534 -5.808 1.463 1.00 0.00 WT8 O ATOM 56051 H1 TIP3 7647 22.320 9.849 -11.458 1.00 0.00 WT8 H ATOM 56052 H2 TIP3 7647 9.823 -8.429 -6.034 1.00 0.00 WT8 H ATOM 56053 OH2 TIP3 7650 -1.956 0.665 5.323 1.00 0.00 WT8 O ATOM 56054 H1 TIP3 7650 7.750 2.287 9.184 1.00 0.00 WT8 H ATOM 56055 H2 TIP3 7650 13.129 10.117 -1.060 1.00 0.00 WT8 H ATOM 56056 OH2 TIP3 7707 -1.228 3.971 0.916 1.00 0.00 WT8 O ATOM 56057 H1 TIP3 7707 5.148 1.292 6.709 1.00 0.00 WT8 H ATOM 56058 H2 TIP3 7707 -8.297 2.581 5.967 1.00 0.00 WT8 H ATOM 56059 OH2 TIP3 7961 5.682 -0.192 -2.293 1.00 0.00 WT8 O ATOM 56060 H1 TIP3 7961 -5.628 10.002 10.652 1.00 0.00 WT8 H ATOM 56061 H2 TIP3 7961 0.083 -0.978 0.680 1.00 0.00 WT8 H ATOM 56062 OH2 TIP3 7985 -2.690 -3.851 3.913 1.00 0.00 WT8 O ATOM 56063 H1 TIP3 7985 3.174 6.879 -6.700 1.00 0.00 WT8 H ATOM 56064 H2 TIP3 7985 4.512 10.125 10.170 1.00 0.00 WT8 H ATOM 56065 OH2 TIP3 8023 1.241 0.358 -2.725 1.00 0.00 WT8 O ATOM 56066 H1 TIP3 8023 6.390 11.165 -3.588 1.00 0.00 WT8 H ATOM 56067 H2 TIP3 8023 2.611 -5.133 -7.824 1.00 0.00 WT8 H ATOM 56068 OH2 TIP3 8024 -0.264 2.139 0.732 1.00 0.00 WT8 O ATOM 56069 H1 TIP3 8024 7.007 6.402 -4.122 1.00 0.00 WT8 H ATOM 56070 H2 TIP3 8024 -43.316 31.245 18.824 1.00 0.00 WT8 H ATOM 56071 OH2 TIP3 8046 -4.001 1.246 1.408 1.00 0.00 WT8 O ATOM 56072 H1 TIP3 8046 6.786 6.765 -4.454 1.00 0.00 WT8 H ATOM 56073 H2 TIP3 8046 -10.206 2.764 -3.475 1.00 0.00 WT8 H ATOM 56074 OH2 TIP3 8064 4.522 -2.494 -8.641 1.00 0.00 WT8 O ATOM 56075 H1 TIP3 8064 -14.167 12.453 4.140 1.00 0.00 WT8 H ATOM 56076 H2 TIP3 8064 -8.690 -17.618 -23.445 1.00 0.00 WT8 H ATOM 56077 OH2 TIP3 8067 3.697 0.325 1.590 1.00 0.00 WT8 O ATOM 56078 H1 TIP3 8067 -0.301 -3.313 11.637 1.00 0.00 WT8 H ATOM 56079 H2 TIP3 8067 4.039 3.605 4.254 1.00 0.00 WT8 H ATOM 56080 OH2 TIP3 8068 1.196 2.048 -0.931 1.00 0.00 WT8 O ATOM 56081 H1 TIP3 8068 26.017 -8.744 5.204 1.00 0.00 WT8 H ATOM 56082 H2 TIP3 8068 3.410 7.163 -28.195 1.00 0.00 WT8 H ATOM 56083 OH2 TIP3 8174 -1.878 -5.583 0.611 1.00 0.00 WT8 O ATOM 56084 H1 TIP3 8174 4.814 -29.056 -8.192 1.00 0.00 WT8 H ATOM 56085 H2 TIP3 8174 13.071 -15.061 1.096 1.00 0.00 WT8 H ATOM 56086 OH2 TIP3 8403 -0.861 -0.933 -1.589 1.00 0.00 WT8 O ATOM 56087 H1 TIP3 8403 -8.698 3.999 -2.078 1.00 0.00 WT8 H ATOM 56088 H2 TIP3 8403 -1.405 -10.332 0.870 1.00 0.00 WT8 H ATOM 56089 OH2 TIP3 8411 -2.045 -3.031 -9.708 1.00 0.00 WT8 O ATOM 56090 H1 TIP3 8411 3.212 25.814 -3.768 1.00 0.00 WT8 H ATOM 56091 H2 TIP3 8411 -0.740 3.738 -8.359 1.00 0.00 WT8 H ATOM 56092 OH2 TIP3 8425 -4.425 -1.102 2.286 1.00 0.00 WT8 O ATOM 56093 H1 TIP3 8425 20.332 -12.667 8.792 1.00 0.00 WT8 H ATOM 56094 H2 TIP3 8425 -1.749 16.671 12.612 1.00 0.00 WT8 H ATOM 56095 OH2 TIP3 8466 -3.624 -1.703 5.004 1.00 0.00 WT8 O ATOM 56096 H1 TIP3 8466 5.898 -5.614 -4.876 1.00 0.00 WT8 H ATOM 56097 H2 TIP3 8466 12.557 -6.860 -9.017 1.00 0.00 WT8 H ATOM 56098 OH2 TIP3 8468 2.019 0.084 -7.425 1.00 0.00 WT8 O ATOM 56099 H1 TIP3 8468 -4.197 6.403 -8.205 1.00 0.00 WT8 H ATOM 56100 H2 TIP3 8468 9.386 -9.268 6.078 1.00 0.00 WT8 H ATOM 56101 OH2 TIP3 8534 8.063 1.647 1.583 1.00 0.00 WT8 O ATOM 56102 H1 TIP3 8534 15.407 18.622 -14.040 1.00 0.00 WT8 H ATOM 56103 H2 TIP3 8534 14.057 0.312 12.001 1.00 0.00 WT8 H ATOM 56104 OH2 TIP3 8536 -4.862 -7.124 1.702 1.00 0.00 WT8 O ATOM 56105 H1 TIP3 8536 3.483 3.647 20.523 1.00 0.00 WT8 H ATOM 56106 H2 TIP3 8536 10.902 -8.930 4.986 1.00 0.00 WT8 H ATOM 56107 OH2 TIP3 8549 1.853 -7.735 -2.762 1.00 0.00 WT8 O ATOM 56108 H1 TIP3 8549 8.847 -19.146 -11.554 1.00 0.00 WT8 H ATOM 56109 H2 TIP3 8549 -5.777 -11.113 17.540 1.00 0.00 WT8 H ATOM 56110 OH2 TIP3 8556 0.597 3.273 -1.273 1.00 0.00 WT8 O ATOM 56111 H1 TIP3 8556 18.865 0.008 5.629 1.00 0.00 WT8 H ATOM 56112 H2 TIP3 8556 -13.095 5.307 10.191 1.00 0.00 WT8 H ATOM 56113 OH2 TIP3 8558 -3.901 -3.166 1.329 1.00 0.00 WT8 O ATOM 56114 H1 TIP3 8558 6.617 -2.315 27.999 1.00 0.00 WT8 H ATOM 56115 H2 TIP3 8558 4.266 11.227 -11.874 1.00 0.00 WT8 H ATOM 56116 OH2 TIP3 8574 -0.650 -5.981 0.541 1.00 0.00 WT8 O ATOM 56117 H1 TIP3 8574 -8.144 5.244 9.275 1.00 0.00 WT8 H ATOM 56118 H2 TIP3 8574 -11.196 -1.820 22.219 1.00 0.00 WT8 H ATOM 56119 OH2 TIP3 8780 -1.828 -0.454 -4.886 1.00 0.00 WT8 O ATOM 56120 H1 TIP3 8780 14.380 6.137 -15.617 1.00 0.00 WT8 H ATOM 56121 H2 TIP3 8780 -18.507 -17.293 28.147 1.00 0.00 WT8 H ATOM 56122 OH2 TIP3 8822 -5.875 3.671 -1.347 1.00 0.00 WT8 O ATOM 56123 H1 TIP3 8822 -7.778 5.538 -1.135 1.00 0.00 WT8 H ATOM 56124 H2 TIP3 8822 -3.598 -6.935 0.369 1.00 0.00 WT8 H ATOM 56125 OH2 TIP3 8845 5.119 -0.270 4.683 1.00 0.00 WT8 O ATOM 56126 H1 TIP3 8845 8.306 -0.288 18.670 1.00 0.00 WT8 H ATOM 56127 H2 TIP3 8845 10.008 6.711 21.313 1.00 0.00 WT8 H ATOM 56128 OH2 TIP3 8927 -0.102 -1.087 5.508 1.00 0.00 WT8 O ATOM 56129 H1 TIP3 8927 -5.464 19.110 15.341 1.00 0.00 WT8 H ATOM 56130 H2 TIP3 8927 -18.406 -12.645 2.151 1.00 0.00 WT8 H ATOM 56131 OH2 TIP3 8935 -0.348 2.118 -0.336 1.00 0.00 WT8 O ATOM 56132 H1 TIP3 8935 9.859 -13.919 -1.040 1.00 0.00 WT8 H ATOM 56133 H2 TIP3 8935 2.048 7.238 -2.518 1.00 0.00 WT8 H ATOM 56134 OH2 TIP3 8972 3.353 -0.710 -3.293 1.00 0.00 WT8 O ATOM 56135 H1 TIP3 8972 -18.358 -3.669 11.507 1.00 0.00 WT8 H ATOM 56136 H2 TIP3 8972 -2.896 -16.954 -25.728 1.00 0.00 WT8 H ATOM 56137 OH2 TIP3 8973 -1.338 6.605 -1.288 1.00 0.00 WT8 O ATOM 56138 H1 TIP3 8973 -9.461 -4.414 -16.871 1.00 0.00 WT8 H ATOM 56139 H2 TIP3 8973 -0.454 12.514 10.750 1.00 0.00 WT8 H ATOM 56140 OH2 TIP3 8977 1.227 -1.853 -0.902 1.00 0.00 WT8 O ATOM 56141 H1 TIP3 8977 20.326 -28.093 4.531 1.00 0.00 WT8 H ATOM 56142 H2 TIP3 8977 5.857 10.138 -26.688 1.00 0.00 WT8 H ATOM 56143 OH2 TIP3 8988 -3.248 1.605 -1.485 1.00 0.00 WT8 O ATOM 56144 H1 TIP3 8988 0.083 3.131 -17.445 1.00 0.00 WT8 H ATOM 56145 H2 TIP3 8988 8.414 -3.030 1.158 1.00 0.00 WT8 H ATOM 56146 OH2 TIP3 9055 3.742 3.314 5.617 1.00 0.00 WT8 O ATOM 56147 H1 TIP3 9055 0.107 15.172 -3.811 1.00 0.00 WT8 H ATOM 56148 H2 TIP3 9055 13.523 -9.481 12.485 1.00 0.00 WT8 H ATOM 56149 OH2 TIP3 9096 -0.280 0.811 -4.704 1.00 0.00 WT8 O ATOM 56150 H1 TIP3 9096 -5.669 -1.061 -5.602 1.00 0.00 WT8 H ATOM 56151 H2 TIP3 9096 4.953 2.692 -3.555 1.00 0.00 WT8 H ATOM 56152 OH2 TIP3 9250 -0.402 2.788 1.632 1.00 0.00 WT8 O ATOM 56153 H1 TIP3 9250 3.812 -6.173 3.074 1.00 0.00 WT8 H ATOM 56154 H2 TIP3 9250 14.772 4.716 1.845 1.00 0.00 WT8 H ATOM 56155 SOD SOD 1 3.833 1.479 -1.239 1.00 0.00 ION NA ATOM 56156 SOD SOD 2 0.870 -3.687 -1.771 1.00 0.00 ION NA ATOM 56157 SOD SOD 3 -3.077 -0.862 1.344 1.00 0.00 ION NA ATOM 56158 SOD SOD 4 1.489 -1.760 0.231 1.00 0.00 ION NA ATOM 56159 SOD SOD 5 -2.028 -3.281 2.858 1.00 0.00 ION NA ATOM 56160 SOD SOD 6 0.162 3.272 -1.540 1.00 0.00 ION NA ATOM 56161 SOD SOD 7 0.624 0.944 5.751 1.00 0.00 ION NA ATOM 56162 SOD SOD 8 -1.416 2.775 0.187 1.00 0.00 ION NA ATOM 56163 SOD SOD 9 3.249 3.122 -1.971 1.00 0.00 ION NA ATOM 56164 SOD SOD 10 -1.847 -0.605 1.375 1.00 0.00 ION NA ATOM 56165 SOD SOD 11 2.262 -0.689 1.137 1.00 0.00 ION NA ATOM 56166 SOD SOD 12 -1.705 1.873 0.105 1.00 0.00 ION NA ATOM 56167 SOD SOD 13 3.997 0.553 -2.006 1.00 0.00 ION NA ATOM 56168 SOD SOD 14 3.785 -1.283 3.968 1.00 0.00 ION NA ATOM 56169 SOD SOD 15 0.854 -0.327 -1.236 1.00 0.00 ION NA ATOM 56170 SOD SOD 16 -3.166 2.724 -2.936 1.00 0.00 ION NA ATOM 56171 SOD SOD 17 1.571 9.104 4.993 1.00 0.00 ION NA ATOM 56172 SOD SOD 18 2.661 -4.341 0.680 1.00 0.00 ION NA ATOM 56173 SOD SOD 19 8.398 -7.523 1.960 1.00 0.00 ION NA ATOM 56174 SOD SOD 20 -3.634 5.984 -1.468 1.00 0.00 ION NA ATOM 56175 SOD SOD 21 6.211 1.194 -3.266 1.00 0.00 ION NA ATOM 56176 SOD SOD 22 3.312 -1.986 -1.928 1.00 0.00 ION NA ATOM 56177 SOD SOD 23 2.213 3.108 -2.591 1.00 0.00 ION NA ATOM 56178 SOD SOD 24 -0.975 0.298 -1.889 1.00 0.00 ION NA ATOM 56179 SOD SOD 25 4.573 -3.025 -8.184 1.00 0.00 ION NA ATOM 56180 SOD SOD 26 -0.795 -2.669 -1.079 1.00 0.00 ION NA ATOM 56181 SOD SOD 27 1.809 0.797 -1.729 1.00 0.00 ION NA ATOM 56182 SOD SOD 28 0.105 0.539 -4.042 1.00 0.00 ION NA ATOM 56183 SOD SOD 29 4.437 -3.302 -3.632 1.00 0.00 ION NA ATOM 56184 SOD SOD 30 -1.523 -2.588 -2.739 1.00 0.00 ION NA ATOM 56185 SOD SOD 31 1.604 0.034 -0.461 1.00 0.00 ION NA ATOM 56186 SOD SOD 32 -3.361 -1.682 -2.282 1.00 0.00 ION NA ATOM 56187 SOD SOD 33 -0.802 1.415 1.835 1.00 0.00 ION NA ATOM 56188 SOD SOD 34 0.395 -0.901 -2.594 1.00 0.00 ION NA ATOM 56189 SOD SOD 35 -1.832 -1.758 -4.910 1.00 0.00 ION NA ATOM 56190 SOD SOD 36 -1.784 0.620 2.897 1.00 0.00 ION NA ATOM 56191 SOD SOD 37 6.187 -1.549 -5.249 1.00 0.00 ION NA ATOM 56192 SOD SOD 38 6.345 0.382 -3.542 1.00 0.00 ION NA ATOM 56193 SOD SOD 39 -1.862 -3.175 -4.452 1.00 0.00 ION NA ATOM 56194 SOD SOD 40 2.550 -7.653 -0.373 1.00 0.00 ION NA ATOM 56195 SOD SOD 41 5.976 -1.595 -1.532 1.00 0.00 ION NA ATOM 56196 SOD SOD 42 -2.912 4.960 -1.732 1.00 0.00 ION NA ATOM 56197 SOD SOD 43 -1.929 7.325 -2.607 1.00 0.00 ION NA ATOM 56198 SOD SOD 44 1.820 2.250 -2.717 1.00 0.00 ION NA ATOM 56199 SOD SOD 45 -3.918 1.308 -0.305 1.00 0.00 ION NA ATOM 56200 SOD SOD 46 0.491 0.588 1.367 1.00 0.00 ION NA ATOM 56201 SOD SOD 47 4.109 0.651 -2.660 1.00 0.00 ION NA ATOM 56202 SOD SOD 48 6.109 1.902 -4.688 1.00 0.00 ION NA ATOM 56203 SOD SOD 49 -2.450 2.004 2.154 1.00 0.00 ION NA ATOM 56204 SOD SOD 50 0.809 2.021 0.734 1.00 0.00 ION NA ATOM 56205 SOD SOD 51 -5.505 -0.812 3.370 1.00 0.00 ION NA ATOM 56206 SOD SOD 52 -3.651 2.470 5.885 1.00 0.00 ION NA ATOM 56207 SOD SOD 53 -2.413 2.120 6.201 1.00 0.00 ION NA ATOM 56208 SOD SOD 54 1.142 -2.743 4.960 1.00 0.00 ION NA ATOM 56209 SOD SOD 55 3.360 1.974 -4.883 1.00 0.00 ION NA ATOM 56210 SOD SOD 56 2.909 -0.952 2.981 1.00 0.00 ION NA ATOM 56211 SOD SOD 57 -0.589 2.158 3.914 1.00 0.00 ION NA ATOM 56212 SOD SOD 58 -3.968 -5.706 1.427 1.00 0.00 ION NA ATOM 56213 SOD SOD 59 -2.766 3.521 -2.742 1.00 0.00 ION NA ATOM 56214 SOD SOD 60 -0.253 3.897 -2.472 1.00 0.00 ION NA ATOM 56215 SOD SOD 61 -2.742 5.056 2.078 1.00 0.00 ION NA ATOM 56216 SOD SOD 62 -0.433 -4.133 0.311 1.00 0.00 ION NA ATOM 56217 SOD SOD 63 5.406 2.880 -2.533 1.00 0.00 ION NA ATOM 56218 SOD SOD 64 3.752 0.606 -2.042 1.00 0.00 ION NA ATOM 56219 SOD SOD 65 -2.113 -3.912 -5.511 1.00 0.00 ION NA ATOM 56220 SOD SOD 66 0.115 -1.491 5.889 1.00 0.00 ION NA ATOM 56221 SOD SOD 67 4.817 4.017 -1.045 1.00 0.00 ION NA ATOM 56222 SOD SOD 68 -1.869 0.850 -4.262 1.00 0.00 ION NA ATOM 56223 SOD SOD 69 5.901 -2.113 -0.931 1.00 0.00 ION NA ATOM 56224 SOD SOD 70 -0.530 1.488 2.158 1.00 0.00 ION NA ATOM 56225 SOD SOD 71 -1.107 -0.376 -3.457 1.00 0.00 ION NA ATOM 56226 SOD SOD 72 1.738 -3.329 2.563 1.00 0.00 ION NA ATOM 56227 SOD SOD 73 -0.657 2.952 1.895 1.00 0.00 ION NA ATOM 56228 SOD SOD 74 -0.718 2.641 -0.533 1.00 0.00 ION NA ATOM 56229 SOD SOD 75 -5.199 -4.678 0.369 1.00 0.00 ION NA ATOM 56230 SOD SOD 76 1.265 -1.821 1.089 1.00 0.00 ION NA ATOM 56231 SOD SOD 77 -4.134 1.192 0.985 1.00 0.00 ION NA ATOM 56232 SOD SOD 78 1.481 2.002 -3.503 1.00 0.00 ION NA ATOM 56233 SOD SOD 79 4.949 2.538 -0.044 1.00 0.00 ION NA ATOM 56234 SOD SOD 80 3.054 2.850 0.914 1.00 0.00 ION NA END